diff --git a/.github/workflows/CI.yml b/.github/workflows/CI.yml index 85f400b824..2b5c30fbb4 100644 --- a/.github/workflows/CI.yml +++ b/.github/workflows/CI.yml @@ -8,7 +8,7 @@ jobs: strategy: max-parallel: 5 env: # update this if needed to match a pull request on the RMG-database - RMG_PY_BRANCH: main + RMG_PY_BRANCH: halogens_kinetics defaults: run: shell: bash -l {0} diff --git a/input/kinetics/families/1+2_Cycloaddition/groups.py b/input/kinetics/families/1+2_Cycloaddition/groups.py index 415ac98a0a..53408284f0 100644 --- a/input/kinetics/families/1+2_Cycloaddition/groups.py +++ b/input/kinetics/families/1+2_Cycloaddition/groups.py @@ -58,9 +58,9 @@ label = "carbene", group = """ -1 *3 C u0 p1 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *3 C2s u0 p1 {2,S} {3,S} +2 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -71,11 +71,11 @@ group = """ 1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u0 p1 {1,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} +2 *3 C2s u0 p1 {1,S} {6,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {1,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -85,9 +85,9 @@ label = "ph_carbene", group = """ -1 *3 C u0 p1 {2,S} {3,S} +1 *3 C2s u0 p1 {2,S} {3,S} 2 Cb u0 {1,S} {4,B} {5,B} -3 H u0 {1,S} +3 [H,Val7] u0 {1,S} 4 Cb u0 {2,B} {6,B} 5 Cb u0 {2,B} {7,B} 6 Cb u0 {4,B} {8,B} @@ -104,13 +104,13 @@ """ 1 Cs u0 {3,S} {4,S} {5,S} {6,S} 2 Cs u0 {3,S} {7,S} {8,S} {9,S} -3 *3 C u0 p1 {1,S} {2,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {2,S} +3 *3 C2s u0 p1 {1,S} {2,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {1,S} +6 [H,Val7] u0 {1,S} +7 [H,Val7] u0 {2,S} +8 [H,Val7] u0 {2,S} +9 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -144,8 +144,8 @@ """ 1 *1 CO u0 {2,D} {3,S} {4,S} 2 *2 O u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -157,7 +157,7 @@ """ 1 *1 CO u0 {2,D} {3,S} {4,S} 2 *2 O u0 {1,D} -3 H u0 {1,S} +3 [H,Val7] u0 {1,S} 4 [Cs,O] u0 {1,S} """, kinetics = None, @@ -170,7 +170,7 @@ """ 1 *1 CO u0 {2,D} {3,S} {4,S} 2 *2 O u0 {1,D} -3 H u0 {1,S} +3 [H,Val7] u0 {1,S} 4 [Cd,Ct,Cb,CO] u0 {1,S} """, kinetics = None, @@ -222,8 +222,8 @@ """ 1 *1 CS u0 {2,D} {3,S} {4,S} 2 *2 S u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -235,7 +235,7 @@ """ 1 *1 CS u0 {2,D} {3,S} {4,S} 2 *2 S u0 {1,D} -3 H u0 {1,S} +3 [H,Val7] u0 {1,S} 4 [Cs,O,S] u0 {1,S} """, kinetics = None, @@ -248,7 +248,7 @@ """ 1 *1 CS u0 {2,D} {3,S} {4,S} 2 *2 S u0 {1,D} -3 H u0 {1,S} +3 [H,Val7] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, kinetics = None, @@ -323,10 +323,10 @@ """ 1 *1 Cd u0 {2,D} {3,S} {4,S} 2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -338,9 +338,9 @@ """ 1 *1 Cd u0 {2,D} {3,S} {4,S} 2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {2,S} 6 R!H u0 {2,S} """, kinetics = None, @@ -353,9 +353,9 @@ """ 1 *1 Cd u0 {2,D} {3,S} {4,S} 2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {2,S} 6 [Cs,O,S] u0 {2,S} """, kinetics = None, @@ -368,9 +368,9 @@ """ 1 *1 Cd u0 {2,D} {3,S} {4,S} 2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {2,S} 6 [Cd,Ct,Cb,CO,CS] u0 {2,S} """, kinetics = None, @@ -383,8 +383,8 @@ """ 1 *1 Cd u0 {2,D} {3,S} {4,S} 2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} 5 R!H u0 {2,S} 6 R!H u0 {2,S} """, @@ -782,12 +782,109 @@ kinetics = None, ) +entry( + index = 56, + label = "CH2", + group = +""" +1 *3 C2s u0 p1 {2,S} {3,S} +2 H u0 p0 {1,S} +3 H u0 p0 {1,S} +""", + kinetics = None, +) + +entry( + index = 57, + label = "CF2", + group = +""" +1 *3 C2s u0 p1 {2,S} {3,S} +2 F1s u0 p3 {1,S} +3 F1s u0 p3 {1,S} +""", + kinetics = None, +) + +entry( + index = 58, + label = "CCl2", + group = +""" +1 *3 C2s u0 p1 {2,S} {3,S} +2 Cl1s u0 p3 {1,S} +3 Cl1s u0 p3 {1,S} +""", + kinetics = None, +) + +entry( + index = 59, + label = "CBr2", + group = +""" +1 *3 C2s u0 p1 {2,S} {3,S} +2 Br1s u0 p3 {1,S} +3 Br1s u0 p3 {1,S} +""", + kinetics = None, +) + +entry( + index = 60, + label = "C2H4", + group = +""" +1 *1 Cd u0 {2,D} {3,S} {4,S} +2 *2 Cd u0 {1,D} {5,S} {6,S} +3 H u0 {1,S} +4 H u0 {1,S} +5 H u0 {2,S} +6 H u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 61, + label = "CH2CF2", + group = +""" +1 *1 Cd u0 {2,D} {3,S} {4,S} +2 *2 Cd u0 {1,D} {5,S} {6,S} +3 H u0 {1,S} +4 H u0 {1,S} +5 F u0 {2,S} +6 F u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 62, + label = "CF2CF2", + group = +""" +1 *1 Cd u0 {2,D} {3,S} {4,S} +2 *2 Cd u0 {1,D} {5,S} {6,S} +3 F u0 {1,S} +4 F u0 {1,S} +5 F u0 {2,S} +6 F u0 {2,S} +""", + kinetics = None, +) + tree( """ L1: elec_def L2: o_atom_singlet L2: S_atom_singlet L2: carbene + L3: CH2 + L3: CF2 + L3: CCl2 + L3: CBr2 L2: me_carbene L2: ph_carbene L2: dime_carbene @@ -809,6 +906,9 @@ L2: mb_db L3: mb_db_dbSub L3: mb_db_unsub + L4: C2H4 + L4: CH2CF2 + L4: CF2CF2 L3: mb_db_monosub L4: mb_db_monosub_Nd L4: mb_db_monosub_De diff --git a/input/kinetics/families/1+2_Cycloaddition/training/dictionary.txt b/input/kinetics/families/1+2_Cycloaddition/training/dictionary.txt index 8049d742a1..630435221c 100644 --- a/input/kinetics/families/1+2_Cycloaddition/training/dictionary.txt +++ b/input/kinetics/families/1+2_Cycloaddition/training/dictionary.txt @@ -281,3 +281,104 @@ C5H8-2 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {5,S} +CF2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 *3 C u0 p1 c0 {1,S} {2,S} + +C2H2F2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *1 C u0 p0 c0 {4,D} {5,S} {6,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C3H2F4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *3 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 *1 C u0 p0 c0 {5,S} {7,S} {8,S} {9,S} +7 *2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +8 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {6,S} + +C3H4F2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 *3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +5 *2 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} + +CCl2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *3 C u0 p1 c0 {1,S} {2,S} + +C3H4Cl2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +5 *2 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} + +C2F4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {6,D} +6 *2 C u0 p0 c0 {3,S} {4,S} {5,D} + +C3F6 +1 F u0 p3 c0 {7,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {8,S} +4 F u0 p3 c0 {8,S} +5 F u0 p3 c0 {9,S} +6 F u0 p3 c0 {9,S} +7 *3 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +8 *1 C u0 p0 c0 {3,S} {4,S} {7,S} {9,S} +9 *2 C u0 p0 c0 {5,S} {6,S} {7,S} {8,S} + +CBr2 +1 Br u0 p3 c0 {3,S} +2 Br u0 p3 c0 {3,S} +3 *3 C u0 p1 c0 {1,S} {2,S} + +C3H4Br2 +1 Br u0 p3 c0 {3,S} +2 Br u0 p3 c0 {3,S} +3 *3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +5 *2 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} + +CH2O +1 *2 O u0 p2 c0 {2,D} +2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +C2H2F2O +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *2 O u0 p2 c0 {4,S} {5,S} +4 *3 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} + diff --git a/input/kinetics/families/1+2_Cycloaddition/training/reactions.py b/input/kinetics/families/1+2_Cycloaddition/training/reactions.py index 2eef9f6d43..0053889891 100644 --- a/input/kinetics/families/1+2_Cycloaddition/training/reactions.py +++ b/input/kinetics/families/1+2_Cycloaddition/training/reactions.py @@ -264,3 +264,163 @@ """, ) +entry( + index = 13, + label = "CF2 + C2H2F2 <=> C3H2F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(10.1799,'cm^3/(mol*s)'), n=2.87159, Ea=(40.5376,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06608, dn = +|- 0.0084062, dEa = +|- 0.0457462 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/1+2_Cycloaddition +Original entry: CF2 + CH2CF2 <=> FC1(F)CC1(F)F +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 46.330 kJ/mol + +Coordinates (Angstoms): +F -0.934462 1.059637 -0.200843 +F -0.935837 -1.070669 -0.203113 +C -0.566012 -0.006529 0.525943 +C 1.462332 -0.006616 -0.635144 +C 1.145769 -0.008289 0.707764 +F 1.417535 1.067078 -1.368636 +F 1.41614 -1.078261 -1.371548 +H 1.355457 0.907116 1.240141 +H 1.353729 -0.925878 1.237154 +""", +) + +entry( + index = 14, + label = "CF2 + C2H4 <=> C3H4F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(20.7011,'cm^3/(mol*s)'), n=2.98446, Ea=(43.7961,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02769, dn = +|- 0.00358817, dEa = +|- 0.0195267 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/1+2_Cycloaddition +Original entry: CF2 + C2H4 <=> FC1(F)CC1 +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 51.669 kJ/mol + +Coordinates (Angstoms): +F 1.13937 -0.427755 -2.405891 +F 1.526415 1.589949 -1.89642 +C 2.09573 0.391359 -1.979214 +C 1.70393 -0.104862 0.283744 +C 2.88033 -0.154701 -0.412698 +H 1.023432 -0.943399 0.283205 +H 1.361345 0.817913 0.727979 +H 3.282735 -1.104777 -0.735506 +H 3.615533 0.629513 -0.29752 +""", +) + +entry( + index = 15, + label = "CCl2 + C2H4 <=> C3H4Cl2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(86.8219,'cm^3/(mol*s)'), n=2.97056, Ea=(7.89502,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02029, dn = +|- 0.00263921, dEa = +|- 0.0143625 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/1+2_Cycloaddition +Original entry: CCl2 + C2H4 <=> ClC1(Cl)CC1 +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 13.332 kJ/mol + +Coordinates (Angstoms): +Cl -1.300023 1.426031 -0.372885 +Cl -1.296527 -1.425679 -0.392776 +C -0.73929 -0.005277 0.479117 +C 1.559199 0.005126 -0.685267 +C 1.403325 -0.00398 0.650137 +H 1.592075 0.932206 -1.24008 +H 1.594637 -0.914481 -1.25224 +H 1.431367 0.910813 1.224937 +H 1.433107 -0.926539 1.212318 +""", +) + +entry( + index = 16, + label = "CF2 + C2F4 <=> C3F6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.10298,'cm^3/(mol*s)'), n=3.07477, Ea=(21.6954,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.00921, dn = +|- 0.00120384, dEa = +|- 0.00655125 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/1+2_Cycloaddition +Original entry: CF2 + CF2CF2 <=> FC1(F)C(F)(F)C1(F)F +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 27.482 kJ/mol + +Coordinates (Angstoms): +F -1.037731 1.037959 -0.208358 +F -1.026004 -1.058063 -0.199201 +C -0.668218 -0.00491 0.509442 +C 1.509632 0.002738 -0.655919 +C 1.244797 0.005764 0.682605 +F 1.444742 1.087849 -1.367818 +F 1.456488 -1.087722 -1.360587 +F 1.435478 1.109765 1.3669 +F 1.446996 -1.0922 1.373924 +""", +) + +entry( + index = 17, + label = "CBr2 + C2H4 <=> C3H4Br2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(145.611,'cm^3/(mol*s)'), n=2.95653, Ea=(-0.108502,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0219, dn = +|- 0.00284573, dEa = +|- 0.0154864 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/1+2_Cycloaddition +Original entry: CBr2 + C2H4 <=> BrC1(Br)CC1 +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 4.605 kJ/mol + +Coordinates (Angstoms): +Br -1.395119 1.571209 -0.413669 +Br -1.394421 -1.566739 -0.44214 +C -0.78974 -0.006163 0.511653 +C 1.589777 0.004359 -0.674032 +C 1.467834 -0.00445 0.659804 +H 1.616426 0.931252 -1.229997 +H 1.620555 -0.915194 -1.241831 +H 1.479333 0.912309 1.232597 +H 1.483225 -0.928362 1.220876 +""", +) + +entry( + index = 18, + label = "CF2 + CH2O <=> C2H2F2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(48.1575,'cm^3/(mol*s)'), n=2.76922, Ea=(37.8393,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.09911, dn = +|- 0.0124151, dEa = +|- 0.0675623 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/1+2_Cycloaddition +Original entry: CF2 + CH2O <=> FC1(F)CO1 +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 45.923 kJ/mol + +Coordinates (Angstoms): +F -1.065525 1.039756 -0.149065 +F -1.065472 -1.039826 -0.148937 +C -0.563356 1.3e-05 0.421949 +O 1.438367 3e-05 -0.594004 +C 1.289254 5.2e-05 0.64322 +H 1.412955 0.922013 1.229339 +H 1.412967 -0.921889 1.229368 +""", +) + diff --git a/input/kinetics/families/1,2-Birad_to_alkene/groups.py b/input/kinetics/families/1,2-Birad_to_alkene/groups.py index 2bba9cdf0d..bf7780cb1a 100644 --- a/input/kinetics/families/1,2-Birad_to_alkene/groups.py +++ b/input/kinetics/families/1,2-Birad_to_alkene/groups.py @@ -39,10 +39,10 @@ """ 1 *1 Cs u1 {2,S} {3,S} {4,S} 2 *2 Cs u1 {1,S} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -55,9 +55,9 @@ 1 *1 Cs u1 {2,S} {3,S} {4,S} 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cs,O2s] u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -78,8 +78,8 @@ 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cs,O2s,S2s] u0 c0 {1,S} 4 [Cs,O2s,S2s] u0 c0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +5 [H,Val7] u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -92,9 +92,9 @@ 1 *1 Cs u1 {2,S} {3,S} {4,S} 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cs,O2s,S2s] u0 c0 {1,S} -4 H u0 {1,S} +4 [H,Val7] u0 {1,S} 5 [Cs,O2s,S2s] u0 c0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -109,7 +109,7 @@ 3 [Cs,O2s,S2s] u0 c0 {1,S} 4 [Cs,O2s,S2s] u0 c0 {1,S} 5 [Cs,O2s,S2s] u0 c0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -137,9 +137,9 @@ 1 *1 Cs u1 {2,S} {3,S} {4,S} 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +4 [H,Val7] u0 {1,S} +5 [H,Val7] u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -160,8 +160,8 @@ 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +5 [H,Val7] u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -174,9 +174,9 @@ 1 *1 Cs u1 {2,S} {3,S} {4,S} 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {1,S} +4 [H,Val7] u0 {1,S} 5 [Cd,Ct,Cb,CO,CS] u0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -191,7 +191,7 @@ 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} 5 [Cd,Ct,Cb,CO,CS] u0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -227,8 +227,8 @@ 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} 4 [Cs,O2s,S2s] u0 c0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +5 [H,Val7] u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -241,9 +241,9 @@ 1 *1 Cs u1 {2,S} {3,S} {4,S} 2 *2 Cs u1 {1,S} {5,S} {6,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {1,S} +4 [H,Val7] u0 {1,S} 5 [Cs,O2s,S2s] u0 c0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -265,7 +265,7 @@ 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} 5 [Cs,O2s,S2s] u0 c0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -280,7 +280,7 @@ 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} 4 [Cs,O2s,S2s] u0 c0 {1,S} 5 [Cd,Ct,Cb,CO,CS] u0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -302,7 +302,7 @@ 3 [Cs,O2s,S2s] u0 c0 {1,S} 4 [Cs,O2s,S2s] u0 c0 {1,S} 5 [Cd,Ct,Cb,CO,CS] u0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -317,7 +317,7 @@ 3 [Cs,O2s,S2s] u0 c0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} 5 [Cs,O2s,S2s] u0 c0 {2,S} -6 H u0 {2,S} +6 [H,Val7] u0 {2,S} """, kinetics = None, ) diff --git a/input/kinetics/families/1,2_Insertion_CO/groups.py b/input/kinetics/families/1,2_Insertion_CO/groups.py index f1d24b4ae7..d798af3459 100644 --- a/input/kinetics/families/1,2_Insertion_CO/groups.py +++ b/input/kinetics/families/1,2_Insertion_CO/groups.py @@ -2,16 +2,22 @@ # encoding: utf-8 name = "1,2_Insertion_CO/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ Reaction site *1 should always be a singlet in this family. """ -template(reactants=["COS", "RR'"], products=["R_CO_R'"], ownReverse=False) +template(reactants=["Root"], products=["R_CO_R'"], ownReverse=False) reverse = "1,1_Elimination" reversible = True +reactantNum = 2 + +productNum = 1 + +autoGenerated = True + recipe(actions=[ ['CHANGE_BOND', '*1', -1, '*4'], ['GAIN_PAIR', '*4', '1'], @@ -23,956 +29,380 @@ entry( index = 0, - label = "COS", + label = "Root", group = """ -1 *1 C u0 p1 c-1 {2,T} -2 *4 [O,S] u0 p1 c+1 {1,T} +1 *2 [H,Cs,Cd,Cb,Ct,CO,O,Sis,Sid,N,S] u0 {2,S} +2 *3 [H,F1s,Cl1s,Br1s,I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 [O,S] u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 1, - label = "RR'", - group = "OR{R_H, R_R'}", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs", + group = +""" +1 *2 Cs u0 {2,S} +2 *3 [H,F1s,Cl1s,Br1s,I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} +""", kinetics = None, ) entry( index = 2, - label = "CO", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs", group = """ -1 *1 C u0 p1 c-1 {2,T} -2 *4 O u0 p1 c+1 {1,T} +1 *2 Cs u0 {2,S} +2 *3 Cs u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 3, - label = "CS", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs", group = """ -1 *1 C u0 p1 c-1 {2,T} -2 *4 S u0 p1 c+1 {1,T} +1 *2 Cs u0 {2,S} +2 *3 [F1s,H,Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 4, - label = "R_H", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R", group = """ -1 *2 [H,Cs,Cd,Cb,Ct,CO,O,Sis,Sid,N,S] u0 {2,S} -2 *3 H u0 {1,S} +1 *2 Cs u0 {2,S} {5,[S,D,T,B,Q]} +2 *3 [F1s,H,Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 5, - label = "H2", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_2Br1sCl1sF1sH->F1s", group = """ -1 *2 H u0 {2,S} -2 *3 H u0 {1,S} +1 *2 Cs u0 {2,S} {5,S} +2 *3 F1s u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} +5 R!H u0 r0 {1,S} """, kinetics = None, ) entry( index = 6, - label = "Ct_H", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s", group = """ -1 *2 Ct u0 {2,S} -2 *3 H u0 {1,S} +1 *2 Cs u0 {2,S} {5,[S,D,T,B,Q]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 7, - label = "acetylene", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C", group = """ -1 *2 Ct u0 {2,S} {3,T} +1 *2 Cs u0 {2,S} {5,[S,D,T,B,Q]} 2 *3 H u0 {1,S} -3 Ct u0 {1,T} {4,S} -4 H u0 {3,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 8, - label = "RO_H", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 R u0 {1,S} +1 *2 Cs u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 9, - label = "CsO_H", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R_Ext-1Cs-R", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 Cs u0 {1,S} +1 *2 Cs u0 r0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *3 H u0 r0 {1,S} +3 *1 C u0 p1 c-1 r0 {4,T} +4 *4 O u0 p1 c+1 r0 {3,T} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 10, - label = "RS_H", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_N-5R!H->C", group = """ -1 *2 S u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 R u0 {1,S} +1 *2 Cs u0 r0 {2,S} {5,[S,D,T,B,Q]} +2 *3 H u0 r0 {1,S} +3 *1 C u0 p1 c-1 r0 {4,T} +4 *4 O u0 p1 c+1 r0 {3,T} +5 F ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 11, - label = "CsS_H", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_2Br1sCl1sF1sH->H", group = """ -1 *2 S u0 {2,S} {3,S} +1 *2 Cs u0 {2,S} 2 *3 H u0 {1,S} -3 Cs u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 12, - label = "Cd_H", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 R u0 {1,S} +1 *2 Cs u0 {2,S} +2 *3 [F1s,Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 13, - label = "Cd_pri", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_2Br1sCl1sF1s->F1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 H u0 {1,S} +1 *2 Cs u0 r0 {2,S} +2 *3 F1s u0 r0 {1,S} +3 *1 C u0 p1 c-1 r0 {4,T} +4 *4 O u0 p1 c+1 r0 {3,T} """, kinetics = None, ) entry( index = 14, - label = "ethene", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} {6,S} -3 *3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *2 Cs u0 {2,S} +2 *3 [Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 15, - label = "Cd_sec", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_2Br1sCl1s->Cl1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 R!H u0 {1,S} +1 *2 Cs u0 {2,S} +2 *3 Cl1s u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 16, - label = "Cd/H/NonDeC", + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_N-2Br1sCl1s->Cl1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 Cs u0 {1,S} +1 *2 Cs u0 {2,S} +2 *3 Br1s u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 17, - label = "Cd/H/NonDeO", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 O u0 {1,S} +1 *2 [O,H,S,N,CO,Sis,Sid,Cd,Cb,Ct] u0 {2,S} +2 *3 [H,F1s,Cl1s,Br1s,I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 18, - label = "Cd/H/NonDeS", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 S u0 {1,S} +1 *2 [O,H,S,N,CO,Sis,Sid,Cd,Cb,Ct] u0 {2,S} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 19, - label = "Cd/H/OneDe", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_1COCbCdCtHNOSSidSis->O", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *2 O u0 r0 {2,S} +2 *3 H u0 r0 {1,S} +3 *1 C u0 p1 c-1 r0 {4,T} +4 *4 O u0 p1 c+1 r0 {3,T} """, kinetics = None, ) entry( index = 20, - label = "Cb_H", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-1COCbCdCtHNOSSidSis->O", group = """ -1 *2 Cb u0 {2,B} {3,B} {4,S} -2 [Cb,Cbf] u0 {1,B} -3 [Cb,Cbf] u0 {1,B} -4 *3 H u0 {1,S} +1 *2 H u0 r0 {2,S} +2 *3 H u0 r0 {1,S} +3 *1 C u0 p1 c-1 r0 {4,T} +4 *4 O u0 p1 c+1 r0 {3,T} """, kinetics = None, ) entry( index = 21, - label = "Cs_H", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 R u0 {1,S} +1 *2 H u0 {2,S} +2 *3 [F1s,Cs,Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 22, - label = "C_methane", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_2Br1sCl1sCsF1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *2 H u0 r0 {2,S} +2 *3 F1s u0 r0 {1,S} +3 *1 C u0 p1 c-1 r0 {4,T} +4 *4 O u0 p1 c+1 r0 {3,T} """, kinetics = None, ) entry( index = 23, - label = "C_pri", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 R!H u0 {1,S} +1 *2 H u0 {2,S} +2 *3 [Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 24, - label = "C_pri/NonDeC", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_2Br1sCl1s->Cl1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {1,S} +1 *2 H u0 {2,S} +2 *3 Cl1s u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) entry( index = 25, - label = "C_pri/NonDeO", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 26, - label = "C_pri/NonDeS", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 27, - label = "C_pri/De", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 28, - label = "C_pri/Cd", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cd u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 29, - label = "C_pri/Ct", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 30, - label = "C_sec", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 R!H u0 {1,S} -5 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 31, - label = "C/H2/NonDeC", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 32, - label = "C/H2/NonDeO", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 33, - label = "C/H2/CsO", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 34, - label = "C/H2/O2", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 35, - label = "C/H2/NonDeS", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 36, - label = "C/H2/CsS", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 37, - label = "C/H2/S2", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} -5 S u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 38, - label = "C/H2/OneDe", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 39, - label = "C/H2/OneDeC", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 40, - label = "C/H2/OneDeO", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 41, - label = "C/H2/OneDeS", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 S u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 42, - label = "C/H2/TwoDe", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 [Cd,Ct,CO,Cb,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 43, - label = "C_ter", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -5 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 44, - label = "C/H/NonDeC", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cs,O,S] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 45, - label = "C/H/Cs3", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 46, - label = "C/H/NDMustO", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 O u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 47, - label = "C/H/NDMustS", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 S u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 48, - label = "C/H/OneDe", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 49, - label = "C/H/Cs2", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 50, - label = "C/H/ODMustO", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 51, - label = "C/H/TwoDe", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 52, - label = "C/H/Cs", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 53, - label = "C/H/TDMustO", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 54, - label = "C/H/ThreeDe", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 [Cd,Ct,Cb,CO,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 55, - label = "R_R'", - group = -""" -1 *2 [Cs,Sis,N] u0 {2,S} {3,S} {4,S} {5,S} -2 *3 [Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 56, - label = "Cs_Cs", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 57, - label = "C_methyl_C_methyl", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} -""", - kinetics = None, -) - -entry( - index = 58, - label = "C_methyl_C_pri", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 C u0 {2,S} -""", - kinetics = None, -) - -entry( - index = 59, - label = "C_methyl_C_sec", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 C u0 {2,S} -8 C u0 {2,S} -""", - kinetics = None, -) - -entry( - index = 60, - label = "C_methyl_C_ter", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 C u0 {2,S} -7 C u0 {2,S} -8 C u0 {2,S} -""", - kinetics = None, -) - -entry( - index = 61, - label = "Cs_Cd", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cd u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 62, - label = "C_methyl_Cd_pri", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cd u0 c0 {1,S} {6,S} {7,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 C u0 {2,D} -""", - kinetics = None, -) - -entry( - index = 63, - label = "C_methyl_Cd_sec", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cd u0 c0 {1,S} {6,S} {7,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 C u0 {2,S} -7 C u0 {2,D} -""", - kinetics = None, -) - -entry( - index = 64, - label = "Cs_Cb", + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_N-2Br1sCl1s->Cl1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cb u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *2 H u0 {2,S} +2 *3 Br1s u0 {1,S} +3 *1 C u0 p1 c-1 {4,T} +4 *4 O u0 p1 c+1 {3,T} """, kinetics = None, ) tree( """ -L1: COS - L2: CO - L2: CS -L1: RR' - L2: R_H - L3: H2 - L3: Ct_H - L4: acetylene - L3: RO_H - L4: CsO_H - L3: RS_H - L4: CsS_H - L3: Cd_H - L4: Cd_pri - L5: ethene - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/NonDeS - L5: Cd/H/OneDe - L3: Cb_H - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C_pri/NonDeC - L5: C_pri/NonDeO - L5: C_pri/NonDeS - L5: C_pri/De - L6: C_pri/Cd - L6: C_pri/Ct - L4: C_sec - L5: C/H2/NonDeC - L5: C/H2/NonDeO - L6: C/H2/CsO - L6: C/H2/O2 - L5: C/H2/NonDeS - L6: C/H2/CsS - L6: C/H2/S2 - L5: C/H2/OneDe - L6: C/H2/OneDeC - L6: C/H2/OneDeO - L6: C/H2/OneDeS - L5: C/H2/TwoDe - L4: C_ter - L5: C/H/NonDeC - L6: C/H/Cs3 - L6: C/H/NDMustO - L6: C/H/NDMustS - L5: C/H/OneDe - L6: C/H/Cs2 - L6: C/H/ODMustO - L5: C/H/TwoDe - L6: C/H/Cs - L6: C/H/TDMustO - L5: C/H/ThreeDe - L2: R_R' - L3: Cs_Cs - L4: C_methyl_C_methyl - L4: C_methyl_C_pri - L4: C_methyl_C_sec - L4: C_methyl_C_ter - L3: Cs_Cd - L4: C_methyl_Cd_pri - L4: C_methyl_Cd_sec - L3: Cs_Cb +L1: Root + L2: Root_1COCbCdCsCtHNOSSidSis->Cs + L3: Root_1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs + L3: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs + L4: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R + L5: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_2Br1sCl1sF1sH->F1s + L5: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s + L6: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C + L7: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R + L8: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R_Ext-1Cs-R + L6: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_N-5R!H->C + L4: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_2Br1sCl1sF1sH->H + L4: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H + L5: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_2Br1sCl1sF1s->F1s + L5: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s + L6: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_2Br1sCl1s->Cl1s + L6: Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_N-2Br1sCl1s->Cl1s + L2: Root_N-1COCbCdCsCtHNOSSidSis->Cs + L3: Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H + L4: Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_1COCbCdCtHNOSSidSis->O + L4: Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-1COCbCdCtHNOSSidSis->O + L3: Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H + L4: Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_2Br1sCl1sCsF1s->F1s + L4: Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s + L5: Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_2Br1sCl1s->Cl1s + L5: Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_N-2Br1sCl1s->Cl1s """ ) diff --git a/input/kinetics/families/1,2_Insertion_CO/rules.py b/input/kinetics/families/1,2_Insertion_CO/rules.py index df46fd611d..61e73bb2ae 100644 --- a/input/kinetics/families/1,2_Insertion_CO/rules.py +++ b/input/kinetics/families/1,2_Insertion_CO/rules.py @@ -2,27 +2,397 @@ # encoding: utf-8 name = "1,2_Insertion_CO/rules" -shortDesc = u"" -longDesc = u""" - -""" -entry( - index = 553, - label = "COS;RR'", - kinetics = ArrheniusEP( - A = (100000, 'cm^3/(mol*s)'), - n = 2, - alpha = 0, - E0 = (80, 'kcal/mol'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), - rank = 0, - shortDesc = u"""Default""", - longDesc = -u""" -Some of the tortional motions in the alkyl part of the -transition states are treated as free rotations as they are relatively loose TSs. +shortDesc = "" +longDesc = """ + +""" +entry( + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(0.00380681,'m^3/(mol*s)'), n=2.83534, w0=(722.933,'kJ/mol'), E0=(323.466,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010754833276949566, var=80.58889985168734, Tref=1000.0, N=15, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 15 training reactions at node Root + Total Standard Deviation in ln(k): 18.02379371015199"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root +Total Standard Deviation in ln(k): 18.02379371015199""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root +Total Standard Deviation in ln(k): 18.02379371015199 +""", +) + +entry( + index = 2, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs", + kinetics = ArrheniusBM(A=(0.0096162,'m^3/(mol*s)'), n=2.81163, w0=(707.8,'kJ/mol'), E0=(360.683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14579455807344396, var=32.24392502772673, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs',), comment="""BM rule fitted to 10 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs + Total Standard Deviation in ln(k): 11.749952421113377"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs +Total Standard Deviation in ln(k): 11.749952421113377""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs +Total Standard Deviation in ln(k): 11.749952421113377 +""", +) + +entry( + index = 3, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs", + kinetics = ArrheniusBM(A=(0.000538,'m^3/(mol*s)'), n=3.29, w0=(655.5,'kJ/mol'), E0=(448.955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs", + kinetics = ArrheniusBM(A=(0.0118807,'m^3/(mol*s)'), n=2.76523, w0=(713.611,'kJ/mol'), E0=(345.557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22343949396153373, var=5.954151137674041, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs',), comment="""BM rule fitted to 9 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs + Total Standard Deviation in ln(k): 5.453185758190856"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs +Total Standard Deviation in ln(k): 5.453185758190856""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs +Total Standard Deviation in ln(k): 5.453185758190856 +""", +) + +entry( + index = 5, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R", + kinetics = ArrheniusBM(A=(0.0201957,'m^3/(mol*s)'), n=2.62581, w0=(735.3,'kJ/mol'), E0=(345.287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36511479707618816, var=7.164731456852299, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R',), comment="""BM rule fitted to 5 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R + Total Standard Deviation in ln(k): 6.2834514517653925"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R +Total Standard Deviation in ln(k): 6.2834514517653925""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R +Total Standard Deviation in ln(k): 6.2834514517653925 +""", +) + +entry( + index = 6, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_2Br1sCl1sF1sH->F1s", + kinetics = ArrheniusBM(A=(0.0026956,'m^3/(mol*s)'), n=2.93313, w0=(794.5,'kJ/mol'), E0=(387.509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_2Br1sCl1sF1sH->F1s',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_2Br1sCl1sF1sH->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_2Br1sCl1sF1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_2Br1sCl1sF1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s", + kinetics = ArrheniusBM(A=(0.0270345,'m^3/(mol*s)'), n=2.58298, w0=(720.5,'kJ/mol'), E0=(340.488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25906933291314677, var=2.9301042026274278, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s',), comment="""BM rule fitted to 4 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s + Total Standard Deviation in ln(k): 4.082542692204979"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s +Total Standard Deviation in ln(k): 4.082542692204979""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s +Total Standard Deviation in ln(k): 4.082542692204979 +""", +) + +entry( + index = 8, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C", + kinetics = ArrheniusBM(A=(1.84346,'m^3/(mol*s)'), n=2.0364, w0=(720.5,'kJ/mol'), E0=(344.399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26314699591391894, var=4.003648838577825, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C + Total Standard Deviation in ln(k): 4.672471833169928"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C +Total Standard Deviation in ln(k): 4.672471833169928""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C +Total Standard Deviation in ln(k): 4.672471833169928 +""", +) + +entry( + index = 9, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R", + kinetics = ArrheniusBM(A=(8.29763,'m^3/(mol*s)'), n=1.78932, w0=(720.5,'kJ/mol'), E0=(339.095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3161957846247408, var=8.849246342592508, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R',), comment="""BM rule fitted to 2 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R + Total Standard Deviation in ln(k): 6.758084096165084"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R +Total Standard Deviation in ln(k): 6.758084096165084""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R +Total Standard Deviation in ln(k): 6.758084096165084 +""", +) + +entry( + index = 10, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R_Ext-1Cs-R", + kinetics = ArrheniusBM(A=(88.9,'m^3/(mol*s)'), n=1.51, w0=(720.5,'kJ/mol'), E0=(334.124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R_Ext-1Cs-R',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R_Ext-1Cs-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R_Ext-1Cs-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_5R!H->C_Ext-1Cs-R_Ext-1Cs-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 11, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.81927e-16,'m^3/(mol*s)'), n=6.80628, w0=(720.5,'kJ/mol'), E0=(310.202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_Ext-1Cs-R_N-2Br1sCl1sF1sH->F1s_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 12, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_2Br1sCl1sF1sH->H", + kinetics = ArrheniusBM(A=(0.0164,'m^3/(mol*s)'), n=2.86, w0=(720.5,'kJ/mol'), E0=(354.031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_2Br1sCl1sF1sH->H',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_2Br1sCl1sF1sH->H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_2Br1sCl1sF1sH->H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_2Br1sCl1sF1sH->H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 13, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H", + kinetics = ArrheniusBM(A=(0.000179486,'m^3/(mol*s)'), n=3.40866, w0=(675.167,'kJ/mol'), E0=(336.825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21195615461406508, var=25.03199200938381, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H',), comment="""BM rule fitted to 3 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H + Total Standard Deviation in ln(k): 10.562640039096285"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H +Total Standard Deviation in ln(k): 10.562640039096285""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H +Total Standard Deviation in ln(k): 10.562640039096285 +""", +) + +entry( + index = 14, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_2Br1sCl1sF1s->F1s", + kinetics = ArrheniusBM(A=(0.000614234,'m^3/(mol*s)'), n=3.16963, w0=(794.5,'kJ/mol'), E0=(363.512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_2Br1sCl1sF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_2Br1sCl1sF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 15, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s", + kinetics = ArrheniusBM(A=(0.00962603,'m^3/(mol*s)'), n=2.95613, w0=(615.5,'kJ/mol'), E0=(328.448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18731351736345964, var=8.005119587844957, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s',), comment="""BM rule fitted to 2 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s + Total Standard Deviation in ln(k): 6.14269809195366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 6.14269809195366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 6.14269809195366 +""", +) + +entry( + index = 16, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(0.00734196,'m^3/(mol*s)'), n=2.97843, w0=(636.5,'kJ/mol'), E0=(335.809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 17, + label = "Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_N-2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(0.0163189,'m^3/(mol*s)'), n=2.90186, w0=(594.5,'kJ/mol'), E0=(321.364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_N-2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_N-2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->Cs_N-2Br1sCl1sF1sH->H_N-2Br1sCl1sF1s->F1s_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 18, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs", + kinetics = ArrheniusBM(A=(0.000742267,'m^3/(mol*s)'), n=2.83796, w0=(753.2,'kJ/mol'), E0=(242.307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2632766423807829, var=145.9379134136138, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs',), comment="""BM rule fitted to 5 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs + Total Standard Deviation in ln(k): 27.392216985255285"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs +Total Standard Deviation in ln(k): 27.392216985255285""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs +Total Standard Deviation in ln(k): 27.392216985255285 +""", +) + +entry( + index = 19, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H", + kinetics = ArrheniusBM(A=(0.0711444,'m^3/(mol*s)'), n=2.26675, w0=(757,'kJ/mol'), E0=(295.916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11077368402443419, var=66.76874779178424, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H',), comment="""BM rule fitted to 2 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H + Total Standard Deviation in ln(k): 16.6594463424353"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H +Total Standard Deviation in ln(k): 16.6594463424353""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H +Total Standard Deviation in ln(k): 16.6594463424353 +""", +) + +entry( + index = 20, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_1COCbCdCtHNOSSidSis->O", + kinetics = ArrheniusBM(A=(1.27e-07,'m^3/(mol*s)'), n=3.7, w0=(750.5,'kJ/mol'), E0=(245.723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_1COCbCdCtHNOSSidSis->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_1COCbCdCtHNOSSidSis->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_1COCbCdCtHNOSSidSis->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_1COCbCdCtHNOSSidSis->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 21, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-1COCbCdCtHNOSSidSis->O", + kinetics = ArrheniusBM(A=(2890,'m^3/(mol*s)'), n=1.16, w0=(763.5,'kJ/mol'), E0=(343.19,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-1COCbCdCtHNOSSidSis->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-1COCbCdCtHNOSSidSis->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-1COCbCdCtHNOSSidSis->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-1COCbCdCtHNOSSidSis->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 22, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H", + kinetics = ArrheniusBM(A=(2.97982e-05,'m^3/(mol*s)'), n=3.24395, w0=(750.667,'kJ/mol'), E0=(155.78,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10120818548749766, var=44.29408324435667, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H',), comment="""BM rule fitted to 3 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H + Total Standard Deviation in ln(k): 13.5965657078993"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H +Total Standard Deviation in ln(k): 13.5965657078993""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H +Total Standard Deviation in ln(k): 13.5965657078993 +""", +) + +entry( + index = 23, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_2Br1sCl1sCsF1s->F1s", + kinetics = ArrheniusBM(A=(5.66811e-11,'m^3/(mol*s)'), n=4.88105, w0=(867,'kJ/mol'), E0=(181.216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_2Br1sCl1sCsF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_2Br1sCl1sCsF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_2Br1sCl1sCsF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_2Br1sCl1sCsF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 24, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s", + kinetics = ArrheniusBM(A=(0.00925502,'m^3/(mol*s)'), n=2.53089, w0=(692.5,'kJ/mol'), E0=(142.143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05412795233083378, var=9.232006363555076, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s',), comment="""BM rule fitted to 2 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s + Total Standard Deviation in ln(k): 6.227230421193233"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s +Total Standard Deviation in ln(k): 6.227230421193233""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s +Total Standard Deviation in ln(k): 6.227230421193233 +""", +) + +entry( + index = 25, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(0.006108,'m^3/(mol*s)'), n=2.57909, w0=(719.5,'kJ/mol'), E0=(150.342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 26, + label = "Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_N-2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(0.0152384,'m^3/(mol*s)'), n=2.47236, w0=(665.5,'kJ/mol'), E0=(134.033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_N-2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_N-2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1COCbCdCsCtHNOSSidSis->Cs_N-2Br1sCbCdCl1sCsCtF1sHI1sNSSidSis->H_N-2Br1sCl1sCsF1s->F1s_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 """, ) diff --git a/input/kinetics/families/1,2_Insertion_CO/training/dictionary.txt b/input/kinetics/families/1,2_Insertion_CO/training/dictionary.txt index d18abdbd2a..e2160639c9 100644 --- a/input/kinetics/families/1,2_Insertion_CO/training/dictionary.txt +++ b/input/kinetics/families/1,2_Insertion_CO/training/dictionary.txt @@ -152,3 +152,113 @@ C2H4O2 7 H u0 p0 c0 {3,S} 8 *3 H u0 p0 c0 {4,S} +CHClO +1 *3 Cl u0 p3 c0 {3,S} +2 *4 O u0 p2 c0 {3,D} +3 *1 C u0 p0 c0 {1,S} {2,D} {4,S} +4 *2 H u0 p0 c0 {3,S} + +ClH +1 *3 Cl u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +CF4 +1 *3 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +C2F4O +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 *3 F u0 p3 c0 {7,S} +5 *4 O u0 p2 c0 {7,D} +6 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *1 C u0 p0 c0 {4,S} {5,D} {6,S} + +CH3Cl +1 *3 Cl u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C2H3ClO +1 *3 Cl u0 p3 c0 {4,S} +2 *4 O u0 p2 c0 {4,D} +3 *2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +BrH +1 *3 Br u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +CHBrO +1 *3 Br u0 p3 c0 {3,S} +2 *4 O u0 p2 c0 {3,D} +3 *1 C u0 p0 c0 {1,S} {2,D} {4,S} +4 *2 H u0 p0 c0 {3,S} + +CHF3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 H u0 p0 c0 {4,S} + +C2HF3O +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 *4 O u0 p2 c0 {6,D} +5 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u0 p0 c0 {4,D} {5,S} {7,S} +7 *3 H u0 p0 c0 {6,S} + +FH +1 *3 F u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +CHFO +1 *3 F u0 p3 c0 {3,S} +2 *4 O u0 p2 c0 {3,D} +3 *1 C u0 p0 c0 {1,S} {2,D} {4,S} +4 *2 H u0 p0 c0 {3,S} + +CH3Br +1 *3 Br u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C2H3BrO +1 *3 Br u0 p3 c0 {4,S} +2 *4 O u0 p2 c0 {4,D} +3 *2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +CH3F +1 *3 F u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C2H3FO +1 *3 F u0 p3 c0 {4,S} +2 *4 O u0 p2 c0 {4,D} +3 *2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + diff --git a/input/kinetics/families/1,2_Insertion_CO/training/reactions.py b/input/kinetics/families/1,2_Insertion_CO/training/reactions.py index c744a88b45..d3e60d1814 100644 --- a/input/kinetics/families/1,2_Insertion_CO/training/reactions.py +++ b/input/kinetics/families/1,2_Insertion_CO/training/reactions.py @@ -165,3 +165,178 @@ """, ) +entry( + index = 8, + label = "CF4 + CO <=> C2F4O", + degeneracy = 4.0, + kinetics = Arrhenius(A=(10782.4,'cm^3/(mol*s)'), n=2.93313, Ea=(397.886,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13366, dn = +|- 0.016482, dEa = +|- 0.0896944 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 402.994 kJ/mol + +Coordinates (Angstoms): +F -1.135412 0.146899 1.204966 +F -1.511149 0.75232 -0.763505 +F -0.563616 -1.195046 -0.296891 +F 0.593202 0.397982 -1.257751 +O 1.916715 1.501744 0.670309 +C -0.647686 0.080374 -0.062139 +C 0.934106 0.984407 0.50501 +""", +) + +entry( + index = 9, + label = "CH3Cl + CO <=> C2H3ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7341.96,'cm^3/(mol*s)'), n=2.97843, Ea=(311.689,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.19217, dn = +|- 0.0230932, dEa = +|- 0.125672 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 317.326 kJ/mol + +Coordinates (Angstoms): +H 0.679213 -1.177163 -0.195709 +H 1.13967 0.47297 -0.791057 +H 0.914395 0.176895 1.003033 +Cl -0.610908 1.968796 -0.214713 +O -2.468538 -0.475933 0.041716 +C 0.687492 -0.114043 -0.010488 +C -1.355735 -0.410872 0.185367 +""", +) + +entry( + index = 10, + label = "ClH + CO <=> CHClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6108,'cm^3/(mol*s)'), n=2.57909, Ea=(159.246,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.43991, dn = +|- 0.0478989, dEa = +|- 0.260664 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 173.746 kJ/mol + +Coordinates (Angstoms): +Cl 0.795619 -1.592659 -0.000909 +O -2.09663 -0.467479 -0.000236 +C -1.03292 -0.107343 -0.000268 +H 0.0768 0.10188 -0.000357 +""", +) + +entry( + index = 11, + label = "BrH + CO <=> CHBrO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(15238.4,'cm^3/(mol*s)'), n=2.47236, Ea=(142.16,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.36179, dn = +|- 0.0405705, dEa = +|- 0.220783 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 155.251 kJ/mol + +Coordinates (Angstoms): +Br -1.366657 -0.108247 -0.0 +O 1.885848 -0.313506 -2e-06 +C 1.085328 0.47511 4e-06 +H 0.178861 1.145233 8e-06 +""", +) + +entry( + index = 12, + label = "CHF3 + CO <=> C2HF3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.81927e-10,'cm^3/(mol*s)'), n=6.80628, Ea=(325.917,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 33.5544, dn = +|- 0.46156, dEa = +|- 2.51179 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 362.466 kJ/mol + +Coordinates (Angstoms): +F 1.658656 0.635138 0.720295 +F 1.143012 -1.248824 -0.203816 +F 1.387618 0.516797 -1.425206 +H -0.720868 0.883098 -0.086002 +O -1.556816 -1.147495 0.132763 +C 0.909531 0.0697 -0.247018 +C -1.289634 -0.042905 0.037533 +""", +) + +entry( + index = 13, + label = "FH + CO <=> CHFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.66811e-05,'cm^3/(mol*s)'), n=4.88105, Ea=(180.508,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 11.5455, dn = +|- 0.321395, dEa = +|- 1.74902 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 215.580 kJ/mol + +Coordinates (Angstoms): +F 0.48745 -1.445399 -0.000825 +O -1.964898 -0.570793 -0.000479 +H 0.237845 -0.081498 0.000329 +C -0.892948 -0.233661 -2.5e-05 +""", +) + +entry( + index = 14, + label = "CH3Br + CO <=> C2H3BrO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(16318.9,'cm^3/(mol*s)'), n=2.90186, Ea=(300.412,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.16266, dn = +|- 0.0198, dEa = +|- 0.107751 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 305.421 kJ/mol + +Coordinates (Angstoms): +H 0.667086 -1.177951 -0.165677 +H 1.077611 0.464734 -0.823529 +H 0.935836 0.212516 0.988604 +Br -0.653897 2.177297 -0.164966 +O -2.456975 -0.521038 -0.026659 +C 0.677229 -0.110622 -0.007247 +C -1.364841 -0.430895 0.220615 +""", +) + +entry( + index = 15, + label = "CH3F + CO <=> C2H3FO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(614.234,'cm^3/(mol*s)'), n=3.16963, Ea=(318.436,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.27036, dn = +|- 0.0314397, dEa = +|- 0.171094 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 326.736 kJ/mol + +Coordinates (Angstoms): +H 0.70707 -1.141584 -0.255448 +H 1.239017 0.523712 -0.688312 +H 0.843458 0.106221 1.034785 +F -0.570329 1.254419 -0.457782 +O -2.430475 -0.291641 0.186491 +C 0.661128 -0.089303 -0.010744 +C -1.298819 -0.288242 0.19857 +""", +) + diff --git a/input/kinetics/families/1,2_Insertion_carbene/groups.py b/input/kinetics/families/1,2_Insertion_carbene/groups.py index fcc6c06296..2c034dc244 100644 --- a/input/kinetics/families/1,2_Insertion_carbene/groups.py +++ b/input/kinetics/families/1,2_Insertion_carbene/groups.py @@ -2,16 +2,22 @@ # encoding: utf-8 name = "1,2_Insertion_carbene/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ Reaction site *1 should always be a singlet in this family. """ -template(reactants=["carbene", "RR'"], products=["R_CO_R'"], ownReverse=False) +template(reactants=["Root"], products=["R_CO_R'"], ownReverse=False) reverse = "1,1_Elimination" - reversible = True + +reactantNum = 2 + +productNum = 1 + +autoGenerated = True + recipe(actions=[ ['BREAK_BOND', '*2', 1, '*3'], ['FORM_BOND', '*1', 1, '*2'], @@ -21,963 +27,1845 @@ entry( index = 0, - label = "carbene", + label = "Root", group = """ -1 *1 C2s u0 p1 {2,S} {3,S} -2 H u0 p0 {1,S} -3 H u0 p0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 [H,F1s,Cl1s,Br1s,I1s,Cs,Cd,Cb,Ct,O,Sis,Sid,N,S] u0 {5,S} +5 *3 [H,F1s,Cl1s,Br1s,I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {4,S} """, kinetics = None, ) entry( index = 1, - label = "RR'", - group = "OR{R_H, R_R'}", + label = "HH", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 H u0 {5,S} +5 *3 H u0 {4,S} +""", kinetics = None, ) entry( index = 2, - label = "R_H", + label = "HH_2Br1sCl1sF1sHI1s->H", group = """ -1 *2 [H,Cs,Cd,Cb,Ct,O,Sis,Sid,N,S] u0 {2,S} -2 *3 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 H u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 3, - label = "H2", + label = "HH_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->Br1s", group = """ -1 *2 H u0 {2,S} -2 *3 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 Br1s u0 {1,S} +4 *2 H u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 4, - label = "Ct_H", + label = "HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s", group = """ -1 *2 Ct u0 {2,S} -2 *3 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 [F1s,Cl1s,H] u0 {1,S} +4 *2 H u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 5, - label = "acetylene", + label = "HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_3Cl1sF1sH->F1s", group = """ -1 *2 Ct u0 {2,S} {3,T} -2 *3 H u0 {1,S} -3 Ct u0 {1,T} {4,S} -4 H u0 {3,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 F1s u0 r0 {1,S} +4 *2 H u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 6, - label = "RO_H", + label = "HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_N-3Cl1sF1sH->F1s", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 R u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 Cl1s u0 r0 {1,S} +4 *2 H u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 7, - label = "CsO_H", + label = "HH_N-2Br1sCl1sF1sHI1s->H", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 Cs u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 [F1s,Cl1s,Br1s,I1s] u0 r0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 r0 {1,S} +4 *2 H u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 8, - label = "RS_H", + label = "HY", group = """ -1 *2 S2s u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 R u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 [F1s,Cl1s,Br1s,I1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 9, - label = "CsS_H", + label = "HY_3Br1sCCl1sF1sHI1s->F1s", group = """ -1 *2 S2s u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 Cs u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 F1s u0 {1,S} +4 *2 [F1s,Cl1s,Br1s,I1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 10, - label = "Cd_H", + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 R u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 [F1s,Cl1s,Br1s,I1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 11, - label = "Cd_pri", + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->F1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 F1s u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 12, - label = "ethene", + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} {6,S} -3 *3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 [Cl1s,Br1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 13, - label = "Cd_sec", + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_4Br1sCl1s->Cl1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 R!H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cl1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 14, - label = "Cd/H/NonDeC", + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_N-4Br1sCl1s->Cl1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 Cs u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 15, - label = "Cd/H/NonDeO", + label = "HY_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 O u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [Cl1s,Br1s,H] u0 {1,S} +3 F1s u0 {1,S} +4 *2 [F1s,Cl1s,Br1s,I1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 16, - label = "Cd/H/NonDeS", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 S2s u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 [F1s,Cl1s,Br1s,I1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 17, - label = "Cd/H/OneDe", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 C u0 {1,D} -3 *3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 18, - label = "Cb_H", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R", group = """ -1 *2 Cb u0 {2,B} {3,B} {4,S} -2 [Cb,Cbf] u0 {1,B} -3 [Cb,Cbf] u0 {1,B} -4 *3 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,S} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} +6 R!H u0 {3,S} """, kinetics = None, ) entry( index = 19, - label = "Cs_H", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_6R!H->C", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 R u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,S} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} +6 C u0 r0 {3,S} """, kinetics = None, ) entry( index = 20, - label = "C_methane", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,S} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} +6 F u0 {3,S} """, kinetics = None, ) entry( index = 21, - label = "C_pri", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 R!H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,S} {7,[S,D,T,B,Q]} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} +6 F u0 {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 22, - label = "C_pri/NonDeC", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} +6 F u0 r0 {3,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 23, - label = "C_pri/NonDeO", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 24, - label = "C_pri/NonDeS", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,Br1s] u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 Br1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 25, - label = "C_pri/De", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 [F1s,Cl1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 26, - label = "C_pri/Cd", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cd u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 Cl1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 27, - label = "C_pri/Ct", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sHI1s->Cl1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 Cl1s u0 {1,S} +4 *2 Cl1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 28, - label = "C_sec", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sHI1s->Cl1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 R!H u0 {1,S} -5 R!H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 [C,H] u0 {1,S} +4 *2 Cl1s u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 29, - label = "C/H2/NonDeC", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [F1s,Cl1s,Br1s] u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 [F1s,Cl1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 30, - label = "C/H2/NonDeO", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,[S,D,T,B,Q]} +4 *2 F1s u0 {5,S} +5 *3 H u0 {4,S} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 31, - label = "C/H2/CsO", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 *2 F1s u0 {5,S} +5 *3 H u0 {4,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 32, - label = "C/H2/O2", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 O u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 *2 F1s u0 {5,S} +5 *3 H u0 {4,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 33, - label = "C/H2/NonDeS", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 S2s u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 C u0 {1,S} +4 *2 [F1s,Cl1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 34, - label = "C/H2/CsS", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_4Cl1sF1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 S2s u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 F1s u0 r0 {1,S} +3 C u0 r0 {1,S} +4 *2 F1s u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 35, - label = "C/H2/S2", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_N-4Cl1sF1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 S2s u0 {1,S} -5 S2s u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 F1s u0 r0 {1,S} +3 C u0 r0 {1,S} +4 *2 Cl1s u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 36, - label = "C/H2/OneDe", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 Cl1s u0 {1,S} +3 [C,H,Br1s,I1s,Cl1s] u0 {1,S} +4 *2 [F1s,Cl1s] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 37, - label = "C/H2/OneDeC", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_3Br1sCCl1sHI1s->C", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 Cl1s u0 r0 {1,S} +3 C u0 r0 {1,S} +4 *2 [F1s,Cl1s] u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 38, - label = "C/H2/OneDeO", + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_N-3Br1sCCl1sHI1s->C", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 O u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 Cl1s u0 {1,S} +3 Cl1s u0 {1,S} +4 *2 [F1s,Cl1s] u0 r0 {5,S} +5 *3 H u0 r0 {4,S} """, kinetics = None, ) entry( index = 39, - label = "C/H2/OneDeS", + label = "YY", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 S2s u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 [Cl1s,Br1s,I1s] u0 {5,S} +5 *3 [Cl1s,Br1s,I1s] u0 {4,S} """, kinetics = None, ) entry( index = 40, - label = "C/H2/TwoDe", + label = "YY_2Br1sCl1sF1sHI1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,Cb,CS] u0 {1,S} -5 [Cd,Ct,CO,Cb,CS] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 [Cl1s,Br1s,I1s] u0 {5,S} +5 *3 [Cl1s,Br1s,I1s] u0 {4,S} """, kinetics = None, ) entry( index = 41, - label = "C_ter", + label = "YY_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sI1s->Cl1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -5 R!H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cl1s u0 {5,S} +5 *3 [Cl1s,Br1s,I1s] u0 {4,S} """, kinetics = None, ) entry( index = 42, - label = "C/H/NonDeC", + label = "YY_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sI1s->Cl1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cs,O,S] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Br1s u0 {5,S} +5 *3 [Cl1s,Br1s,I1s] u0 {4,S} """, kinetics = None, ) entry( index = 43, - label = "C/H/Cs3", + label = "YY_N-2Br1sCl1sF1sHI1s->F1s", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 [H,Cl1s,Br1s,I1s] u0 r0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 r0 {1,S} +4 *2 [Cl1s,Br1s,I1s] u0 r0 {5,S} +5 *3 [Cl1s,Br1s,I1s] u0 r0 {4,S} """, kinetics = None, ) entry( index = 44, - label = "C/H/NDMustO", + label = "CH", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 O u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 [Cs,Cd,Cb,Ct] u0 {5,S} +5 *3 H u0 {4,S} """, kinetics = None, ) entry( index = 45, - label = "C/H/NDMustS", + label = "CH_Ext-4CbCdCsCt-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 S2s u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cs,Cd,Cb,Ct] u0 {5,S} {6,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 46, - label = "C/H/OneDe", + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 Cs u0 {5,S} {6,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 47, - label = "C/H/Cs2", + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_Sp-7R!H=6R!H", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 Cs u0 {5,S} {6,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 C u0 {4,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} """, kinetics = None, ) entry( index = 48, - label = "C/H/ODMustO", + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 Cs u0 {5,S} {6,S} +5 *3 H u0 {4,S} +6 C ux {4,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 49, - label = "C/H/ODMustS", + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-7R!H-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 S2s u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 H u0 r0 {1,S} +4 *2 Cs u0 r0 {5,S} {6,S} +5 *3 H u0 r0 {4,S} +6 C ux r0 {4,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 50, - label = "C/H/TwoDe", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cd,Cb,Ct] u0 {5,S} {6,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 51, - label = "C/H/Cs", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 Cs u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cd,Cb,Ct] u0 {5,S} {6,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 52, - label = "C/H/TDMustO", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_Sp-6R!H-4CbCdCt", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 O u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cd,Cb,Ct] u0 {5,S} {6,S} +5 *3 H u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 53, - label = "C/H/TDMustS", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 S2s u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cd,Cb,Ct] u0 {5,S} {6,[B,D,T]} +5 *3 H u0 {4,S} +6 C ux {4,[B,D,T]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 54, - label = "C/H/ThreeDe", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_Sp-7R!H=6R!H", group = """ -1 *2 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 H u0 r0 {1,S} +4 *2 [Cd,Cb,Ct] u0 {5,S} {6,[B,D,T]} +5 *3 H u0 r0 {4,S} +6 C ux {4,[B,D,T]} {7,D} +7 C ux {6,D} """, kinetics = None, ) entry( index = 55, - label = "R_R'", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H", group = """ -1 *2 [Cs,Sis,N] u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 [Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cd,Cb,Ct] u0 {5,S} {6,[B,D,T]} +5 *3 H u0 {4,S} +6 C ux {4,[B,D,T]} {7,[S,B]} +7 C ux {6,[S,B]} """, kinetics = None, ) entry( index = 56, - label = "Cs_Cs", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cd,Cb,Ct] u0 {5,S} {6,[B,D,T]} +5 *3 H u0 {4,S} +6 C ux {4,[B,D,T]} {7,[S,B]} +7 C ux {6,[S,B]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 57, - label = "C_methyl_C_methyl", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_4CbCdCt->Cd", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 H u0 r0 {1,S} +4 *2 Cd u0 {5,S} {6,[B,D,T]} +5 *3 H u0 r0 {4,S} +6 C ux {4,[B,D,T]} {7,[S,B]} +7 C ux {6,[S,B]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 58, - label = "C_methyl_C_pri", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_N-4CbCdCt->Cd", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 C u0 {2,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 H u0 r0 {1,S} +4 *2 [Cb,Ct] u0 {5,S} {6,[B,D,T]} +5 *3 H u0 r0 {4,S} +6 C ux {4,[B,D,T]} {7,[S,B]} +7 C ux {6,[S,B]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 59, - label = "C_methyl_C_sec", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_4CbCdCt->Cd", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 C u0 {2,S} -8 C u0 {2,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 Cd u0 r0 {5,S} {6,[B,D,T]} +5 *3 H u0 {4,S} +6 C ux r0 {4,[B,D,T]} {7,S} +7 C ux r0 {6,S} """, kinetics = None, ) entry( index = 60, - label = "C_methyl_C_ter", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_N-4CbCdCt->Cd", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cs u0 c0 {1,S} {6,S} {7,S} {8,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 C u0 {2,S} -7 C u0 {2,S} -8 C u0 {2,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cb,Ct] u0 r0 {5,S} {6,[B,D,T]} +5 *3 H u0 {4,S} +6 C ux r0 {4,[B,D,T]} {7,S} +7 C ux r0 {6,S} """, kinetics = None, ) entry( index = 61, - label = "Cs_Cd", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-4CbCdCt-R", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cd u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cd,Cb,Ct] u0 r0 {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 62, - label = "C_methyl_Cd_pri", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_4CbCdCt->Cd", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cd u0 c0 {1,S} {6,S} {7,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 C u0 {2,D} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 Cd u0 r0 {5,S} {6,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 C ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 63, - label = "C_methyl_Cd_sec", + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_N-4CbCdCt->Cd", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cd u0 c0 {1,S} {6,S} {7,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 C u0 {2,S} -7 C u0 {2,D} +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 [Cb,Ct] u0 r0 {5,S} {6,[S,D,T,B,Q]} +5 *3 H u0 {4,S} +6 C ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 64, - label = "Cs_Cb", + label = "CH_3Br1sCCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 65, + label = "CH_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 66, + label = "CH_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 [Cl1s,Br1s,H] u0 r0 {1,S} +3 F1s u0 r0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 67, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [C,Cl1s,Br1s,H] u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 68, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_3Br1sCCl1sH->Cl1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 r0 {1,S} +3 Cl1s u0 r0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 69, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [C,Br1s,H] u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 70, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_2Br1sCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 [C,Br1s,H] u0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 71, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [Cl1s,Br1s] u0 {1,S} +3 [C,Br1s,H] u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 72, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [Cl1s,Br1s] u0 {1,S} +3 C u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 73, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_2Br1sCl1s->Cl1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 Cl1s u0 {1,S} +3 C u0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 74, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_N-2Br1sCl1s->Cl1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 Br1s u0 {1,S} +3 C u0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 75, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_N-3Br1sCH->C", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 [Cl1s,Br1s] u0 r0 {1,S} +3 Br1s u0 r0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 H u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 76, + label = "CY", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 [F1s,Cl1s,Br1s,I1s] u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 77, + label = "CY_2Br1sCl1sF1sHI1s->H", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 [F1s,Cl1s,Br1s,I1s] u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 78, + label = "CY_2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Br1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 Br1s u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 79, + label = "CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 [F1s,Cl1s] u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 80, + label = "CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_5Cl1sF1s->F1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 F1s u0 r0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 F1s u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 81, + label = "CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_N-5Cl1sF1s->F1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 F1s u0 r0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 Cl1s u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 82, + label = "CY_N-2Br1sCl1sF1sHI1s->H", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 [F1s,Cl1s,Br1s,I1s] u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 83, + label = "CY_N-2Br1sCl1sF1sHI1s->H_Ext-4Cs-R", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} {6,[S,D,T,B,Q]} +5 *3 [F1s,Cl1s,Br1s,I1s] u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 84, + label = "CY_N-2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Cl1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 Cl1s u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 85, + label = "CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 [F1s,Br1s] u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 86, + label = "CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_5Br1sF1s->F1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 F1s u0 r0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 F1s u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 87, + label = "CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_N-5Br1sF1s->F1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 F1s u0 r0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 Br1s u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 88, + label = "OHOY", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 O u0 {5,S} +5 *3 [H,F1s,Cl1s,Br1s,I1s] u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 89, + label = "OH", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 O u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 90, + label = "OH_2Br1sCl1sF1sHI1s->H", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 H u0 r0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 r0 {1,S} +4 *2 O u0 r0 {5,S} +5 *3 H u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 91, + label = "OH_N-2Br1sCl1sF1sHI1s->H", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 O u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 92, + label = "OH_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1sI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 O u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 93, + label = "OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [Cl1s,Br1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 O u0 {5,S} +5 *3 H u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 94, + label = "OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_2Br1sCl1s->Cl1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 Cl1s u0 r0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 r0 {1,S} +4 *2 O u0 r0 {5,S} +5 *3 H u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 95, + label = "OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_N-2Br1sCl1s->Cl1s", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 Br1s u0 r0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 r0 {1,S} +4 *2 O u0 r0 {5,S} +5 *3 H u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 96, + label = "CC", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 97, + label = "CC_2Br1sCl1sF1sHI1s->H", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 98, + label = "CC_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 F1s u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 99, + label = "CC_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 H u0 {1,S} +4 *2 Cs u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 100, + label = "CC_N-2Br1sCl1sF1sHI1s->H", + group = +""" +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 [F1s,Cl1s,Br1s,I1s] u0 r0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 r0 {1,S} +4 *2 Cs u0 r0 {5,S} +5 *3 Cs u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 101, + label = "CO", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 [H,F1s,Cl1s,Br1s,I1s] u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 O u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 102, + label = "CO_2Br1sCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 {1,S} +4 *2 O u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 103, + label = "CO_2Br1sCl1sF1sHI1s->F1s_3Br1sCCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 F1s u0 {1,S} +4 *2 O u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 104, + label = "CO_2Br1sCl1sF1sHI1s->F1s_N-3Br1sCCl1sF1sHI1s->F1s", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 F1s u0 {1,S} +3 H u0 {1,S} +4 *2 O u0 {5,S} +5 *3 Cs u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 105, + label = "CO_N-2Br1sCl1sF1sHI1s->F1s", group = """ -1 *2 Cs u0 c0 {2,S} {3,S} {4,S} {5,S} -2 *3 Cb u0 c0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 C2s u0 p1 r0 {2,S} {3,S} +2 [H,Cl1s,Br1s,I1s] u0 r0 {1,S} +3 [H,F1s,Cl1s,Br1s,I1s,C] u0 r0 {1,S} +4 *2 O u0 r0 {5,S} +5 *3 Cs u0 r0 {4,S} """, kinetics = None, ) tree( """ -L1: carbene -L1: RR' - L2: R_H - L3: H2 - L3: Ct_H - L4: acetylene - L3: RO_H - L4: CsO_H - L3: RS_H - L4: CsS_H - L3: Cd_H - L4: Cd_pri - L5: ethene - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/NonDeS - L5: Cd/H/OneDe - L3: Cb_H - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C_pri/NonDeC - L5: C_pri/NonDeO - L5: C_pri/NonDeS - L5: C_pri/De - L6: C_pri/Cd - L6: C_pri/Ct - L4: C_sec - L5: C/H2/NonDeC - L5: C/H2/NonDeO - L6: C/H2/CsO - L6: C/H2/O2 - L5: C/H2/NonDeS - L6: C/H2/CsS - L6: C/H2/S2 - L5: C/H2/OneDe - L6: C/H2/OneDeC - L6: C/H2/OneDeO - L6: C/H2/OneDeS - L5: C/H2/TwoDe - L4: C_ter - L5: C/H/NonDeC - L6: C/H/Cs3 - L6: C/H/NDMustO - L6: C/H/NDMustS - L5: C/H/OneDe - L6: C/H/Cs2 - L6: C/H/ODMustO - L6: C/H/ODMustS - L5: C/H/TwoDe - L6: C/H/Cs - L6: C/H/TDMustO - L6: C/H/TDMustS - L5: C/H/ThreeDe - L2: R_R' - L3: Cs_Cs - L4: C_methyl_C_methyl - L4: C_methyl_C_pri - L4: C_methyl_C_sec - L4: C_methyl_C_ter - L3: Cs_Cd - L4: C_methyl_Cd_pri - L4: C_methyl_Cd_sec - L3: Cs_Cb +L1: Root + L2: HH + L3: HH_2Br1sCl1sF1sHI1s->H + L4: HH_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->Br1s + L4: HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s + L5: HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_3Cl1sF1sH->F1s + L5: HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_N-3Cl1sF1sH->F1s + L3: HH_N-2Br1sCl1sF1sHI1s->H + L2: HY + L3: HY_3Br1sCCl1sF1sHI1s->F1s + L4: HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s + L5: HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->F1s + L5: HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s + L6: HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_4Br1sCl1s->Cl1s + L6: HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_N-4Br1sCl1s->Cl1s + L4: HY_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s + L3: HY_N-3Br1sCCl1sF1sHI1s->F1s + L4: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s + L5: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R + L6: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_6R!H->C + L6: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C + L7: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R + L8: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R + L5: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->F1s + L5: HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->F1s + L4: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s + L5: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H + L6: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sHI1s->Cl1s + L6: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sHI1s->Cl1s + L5: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H + L6: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R + L7: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R + L8: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R + L6: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s + L7: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_4Cl1sF1s->F1s + L7: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_N-4Cl1sF1s->F1s + L6: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s + L7: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_3Br1sCCl1sHI1s->C + L7: HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_N-3Br1sCCl1sHI1s->C + L2: YY + L3: YY_2Br1sCl1sF1sHI1s->F1s + L4: YY_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sI1s->Cl1s + L4: YY_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sI1s->Cl1s + L3: YY_N-2Br1sCl1sF1sHI1s->F1s + L2: CH + L3: CH_Ext-4CbCdCsCt-R + L4: CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs + L5: CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_Sp-7R!H=6R!H + L5: CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H + L6: CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-7R!H-R + L4: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs + L5: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R + L6: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_Sp-6R!H-4CbCdCt + L6: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt + L7: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_Sp-7R!H=6R!H + L7: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H + L8: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R + L9: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_4CbCdCt->Cd + L9: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_N-4CbCdCt->Cd + L8: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_4CbCdCt->Cd + L8: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_N-4CbCdCt->Cd + L5: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-4CbCdCt-R + L5: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_4CbCdCt->Cd + L5: CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_N-4CbCdCt->Cd + L3: CH_3Br1sCCl1sF1sHI1s->F1s + L4: CH_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s + L4: CH_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s + L3: CH_N-3Br1sCCl1sF1sHI1s->F1s + L4: CH_N-3Br1sCCl1sF1sHI1s->F1s_3Br1sCCl1sH->Cl1s + L4: CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s + L5: CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_2Br1sCl1sF1sHI1s->F1s + L5: CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s + L6: CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C + L7: CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_2Br1sCl1s->Cl1s + L7: CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_N-2Br1sCl1s->Cl1s + L6: CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_N-3Br1sCH->C + L2: CY + L3: CY_2Br1sCl1sF1sHI1s->H + L4: CY_2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Br1s + L4: CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s + L5: CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_5Cl1sF1s->F1s + L5: CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_N-5Cl1sF1s->F1s + L3: CY_N-2Br1sCl1sF1sHI1s->H + L4: CY_N-2Br1sCl1sF1sHI1s->H_Ext-4Cs-R + L4: CY_N-2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Cl1s + L4: CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s + L5: CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_5Br1sF1s->F1s + L5: CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_N-5Br1sF1s->F1s + L2: OHOY + L3: OH + L4: OH_2Br1sCl1sF1sHI1s->H + L4: OH_N-2Br1sCl1sF1sHI1s->H + L5: OH_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1sI1s->F1s + L5: OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s + L6: OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_2Br1sCl1s->Cl1s + L6: OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_N-2Br1sCl1s->Cl1s + L2: CC + L3: CC_2Br1sCl1sF1sHI1s->H + L4: CC_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->F1s + L4: CC_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->F1s + L3: CC_N-2Br1sCl1sF1sHI1s->H + L2: CO + L3: CO_2Br1sCl1sF1sHI1s->F1s + L4: CO_2Br1sCl1sF1sHI1s->F1s_3Br1sCCl1sF1sHI1s->F1s + L4: CO_2Br1sCl1sF1sHI1s->F1s_N-3Br1sCCl1sF1sHI1s->F1s + L3: CO_N-2Br1sCl1sF1sHI1s->F1s +""" +) + +forbidden( + label = "CHC", + group = +""" +1 *1 C2s u0 p1 {2,S} {3,S} +2 H u0 {1,S} +3 C u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +forbids :CHC carbenes +""", +) + +forbidden( + label = "F2", + group = +""" +1 *2 F1s u0 {2,S} +2 *3 F1s u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +F+ is very unstable +""", +) + +forbidden( + label = "dupBr", + group = +""" +1 *2 Br1s u0 {2,S} +2 *3 [I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupCb", + group = +""" +1 *2 Cb u0 {2,S} +2 *3 [Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupCd", + group = +""" +1 *2 Cd u0 {2,S} +2 *3 [Cb,Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupCl", + group = +""" +1 *2 Cl1s u0 {2,S} +2 *3 [Br1s,I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupCs", + group = +""" +1 *2 Cs u0 {2,S} +2 *3 [Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupCt", + group = +""" +1 *2 Ct u0 {2,S} +2 *3 [Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupF", + group = +""" +1 *2 F1s u0 {2,S} +2 *3 [Cl1s,Br1s,I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupH", + group = +""" +1 *2 H u0 {2,S} +2 *3 [F1s,Cl1s,Br1s,I1s,Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupI", + group = +""" +1 *2 I1s u0 {2,S} +2 *3 [Cs,Cd,Cb,Ct,Sis,Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupN", + group = +""" +1 *2 N u0 {2,S} +2 *3 S u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupSid", + group = +""" +1 *2 Sid u0 {2,S} +2 *3 [N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = """ +Avoids duplicate reactions +""", +) + +forbidden( + label = "dupSis", + group = +""" +1 *2 Sis u0 {2,S} +2 *3 [Sid,N,S] u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Avoids duplicate reactions +""", ) diff --git a/input/kinetics/families/1,2_Insertion_carbene/rules.py b/input/kinetics/families/1,2_Insertion_carbene/rules.py index 9cad5221a0..ec08702e9b 100644 --- a/input/kinetics/families/1,2_Insertion_carbene/rules.py +++ b/input/kinetics/families/1,2_Insertion_carbene/rules.py @@ -2,7 +2,1597 @@ # encoding: utf-8 name = "1,2_Insertion_carbene/rules" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ """ +entry( + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(3.50469e+53,'m^3/(mol*s)'), n=-13.541, w0=(581.04,'kJ/mol'), E0=(336.403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.513119107657762, var=99.27123869380007, Tref=1000.0, N=63, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 63 training reactions at node Root + Total Standard Deviation in ln(k): 23.775975334650404"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root +Total Standard Deviation in ln(k): 23.775975334650404""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root +Total Standard Deviation in ln(k): 23.775975334650404 +""", +) + +entry( + index = 2, + label = "HH", + kinetics = ArrheniusBM(A=(1.57245e+40,'m^3/(mol*s)'), n=-9.46179, w0=(627,'kJ/mol'), E0=(286.086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0057215542285545, var=62.159225863125215, Tref=1000.0, N=4, data_mean=0.0, correlation='HH',), comment="""BM rule fitted to 4 training reactions at node HH + Total Standard Deviation in ln(k): 20.845057760557747"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node HH +Total Standard Deviation in ln(k): 20.845057760557747""", + longDesc = +""" +BM rule fitted to 4 training reactions at node HH +Total Standard Deviation in ln(k): 20.845057760557747 +""", +) + +entry( + index = 3, + label = "HH_2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(160.794,'m^3/(mol*s)'), n=1.48251, w0=(627,'kJ/mol'), E0=(132.78,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18444078152295718, var=0.3527504141347885, Tref=1000.0, N=3, data_mean=0.0, correlation='HH_2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 3 training reactions at node HH_2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 1.6540872511930813"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node HH_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 1.6540872511930813""", + longDesc = +""" +BM rule fitted to 3 training reactions at node HH_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 1.6540872511930813 +""", +) + +entry( + index = 4, + label = "HH_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->Br1s", + kinetics = ArrheniusBM(A=(1.50896,'m^3/(mol*s)'), n=2.11145, w0=(627,'kJ/mol'), E0=(120.317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HH_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->Br1s',), comment="""BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->Br1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->Br1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->Br1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5, + label = "HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s", + kinetics = ArrheniusBM(A=(11.6611,'m^3/(mol*s)'), n=1.785, w0=(627,'kJ/mol'), E0=(127.726,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12638824541802388, var=0.1087312542899948, Tref=1000.0, N=2, data_mean=0.0, correlation='HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s',), comment="""BM rule fitted to 2 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s + Total Standard Deviation in ln(k): 0.9786082211207049"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s +Total Standard Deviation in ln(k): 0.9786082211207049""", + longDesc = +""" +BM rule fitted to 2 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s +Total Standard Deviation in ln(k): 0.9786082211207049 +""", +) + +entry( + index = 6, + label = "HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_3Cl1sF1sH->F1s", + kinetics = ArrheniusBM(A=(2.13948,'m^3/(mol*s)'), n=1.96174, w0=(627,'kJ/mol'), E0=(121.872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_3Cl1sF1sH->F1s',), comment="""BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_3Cl1sF1sH->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_3Cl1sF1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_3Cl1sF1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7, + label = "HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_N-3Cl1sF1sH->F1s", + kinetics = ArrheniusBM(A=(1.39739,'m^3/(mol*s)'), n=2.08325, w0=(627,'kJ/mol'), E0=(124.994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_N-3Cl1sF1sH->F1s',), comment="""BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_N-3Cl1sF1sH->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_N-3Cl1sF1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HH_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->Br1s_N-3Cl1sF1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 8, + label = "HH_N-2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(3.26413e-09,'m^3/(mol*s)'), n=4.30786, w0=(627,'kJ/mol'), E0=(215.887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HH_N-2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 1 training reactions at node HH_N-2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HH_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HH_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 9, + label = "HY", + kinetics = ArrheniusBM(A=(1.19308e+15,'m^3/(mol*s)'), n=-2.48619, w0=(617.447,'kJ/mol'), E0=(143.525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4567526169257262, var=16.42503569342746, Tref=1000.0, N=19, data_mean=0.0, correlation='HY',), comment="""BM rule fitted to 19 training reactions at node HY + Total Standard Deviation in ln(k): 9.27237233211209"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node HY +Total Standard Deviation in ln(k): 9.27237233211209""", + longDesc = +""" +BM rule fitted to 19 training reactions at node HY +Total Standard Deviation in ln(k): 9.27237233211209 +""", +) + +entry( + index = 10, + label = "HY_3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(2.09705e+20,'m^3/(mol*s)'), n=-4.05784, w0=(643.25,'kJ/mol'), E0=(196.789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2457410906396802, var=110.73801540920508, Tref=1000.0, N=4, data_mean=0.0, correlation='HY_3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 4 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 24.226257307947215"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 24.226257307947215""", + longDesc = +""" +BM rule fitted to 4 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 24.226257307947215 +""", +) + +entry( + index = 11, + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(7.17793e-29,'m^3/(mol*s)'), n=9.77658, w0=(614.167,'kJ/mol'), E0=(40.8472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.871898927309629, var=53.89863301171256, Tref=1000.0, N=3, data_mean=0.0, correlation='HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 3 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 24.44628983841625"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 24.44628983841625""", + longDesc = +""" +BM rule fitted to 3 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 24.44628983841625 +""", +) + +entry( + index = 12, + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->F1s", + kinetics = ArrheniusBM(A=(3.98081e-09,'m^3/(mol*s)'), n=4.16158, w0=(730.5,'kJ/mol'), E0=(145.218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 13, + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s", + kinetics = ArrheniusBM(A=(490.447,'m^3/(mol*s)'), n=0.685287, w0=(556,'kJ/mol'), E0=(104.475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00036256892132874644, var=1.6680856284811425, Tref=1000.0, N=2, data_mean=0.0, correlation='HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s',), comment="""BM rule fitted to 2 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s + Total Standard Deviation in ln(k): 2.5901143242066227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 2.5901143242066227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 2.5901143242066227 +""", +) + +entry( + index = 14, + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_4Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(2.53881,'m^3/(mol*s)'), n=1.26919, w0=(583,'kJ/mol'), E0=(96.1337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_4Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_4Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_4Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_4Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 15, + label = "HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_N-4Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(214000,'m^3/(mol*s)'), n=-6.53332e-08, w0=(529,'kJ/mol'), E0=(113.537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_N-4Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_N-4Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_N-4Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->F1s_N-4Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 16, + label = "HY_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(0.0514528,'m^3/(mol*s)'), n=2.19387, w0=(730.5,'kJ/mol'), E0=(80.0732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 17, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(1504.93,'m^3/(mol*s)'), n=0.934412, w0=(610.567,'kJ/mol'), E0=(51.7021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0017462377678182982, var=10.47826062367848, Tref=1000.0, N=15, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 15 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 6.493743349677761"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 6.493743349677761""", + longDesc = +""" +BM rule fitted to 15 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 6.493743349677761 +""", +) + +entry( + index = 18, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s", + kinetics = ArrheniusBM(A=(4.88137e+07,'m^3/(mol*s)'), n=-0.254532, w0=(529,'kJ/mol'), E0=(65.0974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14958433561577356, var=4.360014987880059, Tref=1000.0, N=6, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s',), comment="""BM rule fitted to 6 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s + Total Standard Deviation in ln(k): 4.5618569695479625"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 4.5618569695479625""", + longDesc = +""" +BM rule fitted to 6 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 4.5618569695479625 +""", +) + +entry( + index = 19, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R", + kinetics = ArrheniusBM(A=(182781,'m^3/(mol*s)'), n=0.429862, w0=(529,'kJ/mol'), E0=(67.3104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11376048881184615, var=1.910664946019741, Tref=1000.0, N=4, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R',), comment="""BM rule fitted to 4 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R + Total Standard Deviation in ln(k): 3.0569116084701915"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 3.0569116084701915""", + longDesc = +""" +BM rule fitted to 4 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 3.0569116084701915 +""", +) + +entry( + index = 20, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_6R!H->C", + kinetics = ArrheniusBM(A=(3.94494e+11,'m^3/(mol*s)'), n=-1.44224, w0=(529,'kJ/mol'), E0=(47.9409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 21, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1414.37,'m^3/(mol*s)'), n=1.0539, w0=(529,'kJ/mol'), E0=(73.7669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00634481711925604, var=0.25011904153038805, Tref=1000.0, N=3, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C + Total Standard Deviation in ln(k): 1.0185479085825118"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.0185479085825118""", + longDesc = +""" +BM rule fitted to 3 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.0185479085825118 +""", +) + +entry( + index = 22, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R", + kinetics = ArrheniusBM(A=(227.818,'m^3/(mol*s)'), n=1.29984, w0=(529,'kJ/mol'), E0=(75.7342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0204191866451209, var=0.4525545401550183, Tref=1000.0, N=2, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R',), comment="""BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R + Total Standard Deviation in ln(k): 1.3999333595844436"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 1.3999333595844436""", + longDesc = +""" +BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 1.3999333595844436 +""", +) + +entry( + index = 23, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R", + kinetics = ArrheniusBM(A=(4.43208,'m^3/(mol*s)'), n=1.83751, w0=(529,'kJ/mol'), E0=(79.743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_Ext-3Br1sCCl1sHI1s-R_N-6R!H->C_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 24, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(1.21206e+18,'m^3/(mol*s)'), n=-3.24664, w0=(529,'kJ/mol'), E0=(38.1761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 25, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=-3.02437e-08, w0=(529,'kJ/mol'), E0=(77.1661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 26, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s", + kinetics = ArrheniusBM(A=(7.6765,'m^3/(mol*s)'), n=1.46392, w0=(664.944,'kJ/mol'), E0=(80.3477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10316422275018103, var=10.421495061020293, Tref=1000.0, N=9, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s',), comment="""BM rule fitted to 9 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s + Total Standard Deviation in ln(k): 6.730960621514095"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 6.730960621514095""", + longDesc = +""" +BM rule fitted to 9 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 6.730960621514095 +""", +) + +entry( + index = 27, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(3.76867e+06,'m^3/(mol*s)'), n=0.00270408, w0=(583,'kJ/mol'), E0=(2.97164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-12.601168777332983, var=361.2258937203764, Tref=1000.0, N=2, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 69.76310998171257"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 69.76310998171257""", + longDesc = +""" +BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 69.76310998171257 +""", +) + +entry( + index = 28, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sHI1s->Cl1s", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=5.28703e-09, w0=(583,'kJ/mol'), E0=(75.2086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sHI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sHI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 29, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sHI1s->Cl1s", + kinetics = ArrheniusBM(A=(2.33736e+17,'m^3/(mol*s)'), n=-4.54388, w0=(583,'kJ/mol'), E0=(180.008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sHI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sHI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 30, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(0.013261,'m^3/(mol*s)'), n=2.2731, w0=(688.357,'kJ/mol'), E0=(58.0977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05103196771681782, var=7.159345808690377, Tref=1000.0, N=7, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 7 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 5.492281424906893"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 5.492281424906893""", + longDesc = +""" +BM rule fitted to 7 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 5.492281424906893 +""", +) + +entry( + index = 31, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R", + kinetics = ArrheniusBM(A=(6.9697e-08,'m^3/(mol*s)'), n=3.78805, w0=(730.5,'kJ/mol'), E0=(73.1317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3001410487914693, var=2.9282398409420045, Tref=1000.0, N=3, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R',), comment="""BM rule fitted to 3 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R + Total Standard Deviation in ln(k): 4.184646053545055"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 4.184646053545055""", + longDesc = +""" +BM rule fitted to 3 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 4.184646053545055 +""", +) + +entry( + index = 32, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R", + kinetics = ArrheniusBM(A=(5.4487,'m^3/(mol*s)'), n=1.52711, w0=(730.5,'kJ/mol'), E0=(132.147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02090651070256912, var=1.7269912187795557, Tref=1000.0, N=2, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R',), comment="""BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R + Total Standard Deviation in ln(k): 2.6870522832325783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 2.6870522832325783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 2.6870522832325783 +""", +) + +entry( + index = 33, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R", + kinetics = ArrheniusBM(A=(22.4644,'m^3/(mol*s)'), n=1.4485, w0=(730.5,'kJ/mol'), E0=(137.198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R_Ext-3Br1sCCl1sHI1s-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 34, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s", + kinetics = ArrheniusBM(A=(3.22787e+06,'m^3/(mol*s)'), n=-0.0924759, w0=(656.75,'kJ/mol'), E0=(67.7712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12610951792154945, var=0.26951270124779947, Tref=1000.0, N=2, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s',), comment="""BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s + Total Standard Deviation in ln(k): 1.3576085364528785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 1.3576085364528785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 1.3576085364528785 +""", +) + +entry( + index = 35, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_4Cl1sF1s->F1s", + kinetics = ArrheniusBM(A=(2.80806e+08,'m^3/(mol*s)'), n=-0.709128, w0=(730.5,'kJ/mol'), E0=(65.25,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_4Cl1sF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_4Cl1sF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_4Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_4Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 36, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_N-4Cl1sF1s->F1s", + kinetics = ArrheniusBM(A=(37104.3,'m^3/(mol*s)'), n=0.524176, w0=(583,'kJ/mol'), E0=(70.2924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_N-4Cl1sF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_N-4Cl1sF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_N-4Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1s->F1s_N-4Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 37, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s", + kinetics = ArrheniusBM(A=(0.00196975,'m^3/(mol*s)'), n=2.43508, w0=(656.75,'kJ/mol'), E0=(63.191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1360459495935581, var=0.536668528117854, Tref=1000.0, N=2, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s',), comment="""BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s + Total Standard Deviation in ln(k): 1.810446073712933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 1.810446073712933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s +Total Standard Deviation in ln(k): 1.810446073712933 +""", +) + +entry( + index = 38, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_3Br1sCCl1sHI1s->C", + kinetics = ArrheniusBM(A=(113.748,'m^3/(mol*s)'), n=1.11248, w0=(730.5,'kJ/mol'), E0=(108.719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_3Br1sCCl1sHI1s->C',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_3Br1sCCl1sHI1s->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_3Br1sCCl1sHI1s->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_3Br1sCCl1sHI1s->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 39, + label = "HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_N-3Br1sCCl1sHI1s->C", + kinetics = ArrheniusBM(A=(2.70149e+08,'m^3/(mol*s)'), n=-1.26599, w0=(583,'kJ/mol'), E0=(35.9196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_N-3Br1sCCl1sHI1s->C',), comment="""BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_N-3Br1sCCl1sHI1s->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_N-3Br1sCCl1sHI1s->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node HY_N-3Br1sCCl1sF1sHI1s->F1s_N-4Br1sCl1sF1sI1s->Br1s_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1s->F1s_N-3Br1sCCl1sHI1s->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 40, + label = "YY", + kinetics = ArrheniusBM(A=(7.12506e+14,'m^3/(mol*s)'), n=-2.96729, w0=(424.667,'kJ/mol'), E0=(136.816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5496726164829923, var=62.62422940093214, Tref=1000.0, N=3, data_mean=0.0, correlation='YY',), comment="""BM rule fitted to 3 training reactions at node YY + Total Standard Deviation in ln(k): 17.24565264902038"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node YY +Total Standard Deviation in ln(k): 17.24565264902038""", + longDesc = +""" +BM rule fitted to 3 training reactions at node YY +Total Standard Deviation in ln(k): 17.24565264902038 +""", +) + +entry( + index = 41, + label = "YY_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(2.18345,'m^3/(mol*s)'), n=0.764042, w0=(413.5,'kJ/mol'), E0=(18.2209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5676419187717117, var=30.872492929782375, Tref=1000.0, N=2, data_mean=0.0, correlation='YY_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 2 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 12.56514967984041"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 12.56514967984041""", + longDesc = +""" +BM rule fitted to 2 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 12.56514967984041 +""", +) + +entry( + index = 42, + label = "YY_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sI1s->Cl1s", + kinetics = ArrheniusBM(A=(321,'m^3/(mol*s)'), n=2.45346e-08, w0=(447,'kJ/mol'), E0=(96.0283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='YY_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s_4Br1sCl1sI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 43, + label = "YY_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sI1s->Cl1s", + kinetics = ArrheniusBM(A=(3200,'m^3/(mol*s)'), n=1.45247e-08, w0=(380,'kJ/mol'), E0=(65.8284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='YY_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node YY_2Br1sCl1sF1sHI1s->F1s_N-4Br1sCl1sI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 44, + label = "YY_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(3e+07,'m^3/(mol*s)'), n=-9.29881e-08, w0=(447,'kJ/mol'), E0=(131.712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='YY_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node YY_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node YY_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node YY_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 45, + label = "CH", + kinetics = ArrheniusBM(A=(6.44768e+28,'m^3/(mol*s)'), n=-6.4458, w0=(584,'kJ/mol'), E0=(218.637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6591608693425184, var=5.4995193120720405, Tref=1000.0, N=19, data_mean=0.0, correlation='CH',), comment="""BM rule fitted to 19 training reactions at node CH + Total Standard Deviation in ln(k): 6.357498133665092"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node CH +Total Standard Deviation in ln(k): 6.357498133665092""", + longDesc = +""" +BM rule fitted to 19 training reactions at node CH +Total Standard Deviation in ln(k): 6.357498133665092 +""", +) + +entry( + index = 46, + label = "CH_Ext-4CbCdCsCt-R", + kinetics = ArrheniusBM(A=(1.67081e+07,'m^3/(mol*s)'), n=-0.25099, w0=(584,'kJ/mol'), E0=(109.752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05783420702249951, var=0.11014630093021238, Tref=1000.0, N=12, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R',), comment="""BM rule fitted to 12 training reactions at node CH_Ext-4CbCdCsCt-R + Total Standard Deviation in ln(k): 0.8106494948591996"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node CH_Ext-4CbCdCsCt-R +Total Standard Deviation in ln(k): 0.8106494948591996""", + longDesc = +""" +BM rule fitted to 12 training reactions at node CH_Ext-4CbCdCsCt-R +Total Standard Deviation in ln(k): 0.8106494948591996 +""", +) + +entry( + index = 47, + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs", + kinetics = ArrheniusBM(A=(1.13979e+06,'m^3/(mol*s)'), n=0.0863482, w0=(584,'kJ/mol'), E0=(109.735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028930780883000492, var=0.07206277511555077, Tref=1000.0, N=3, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs',), comment="""BM rule fitted to 3 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs + Total Standard Deviation in ln(k): 0.6108517252544917"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs +Total Standard Deviation in ln(k): 0.6108517252544917""", + longDesc = +""" +BM rule fitted to 3 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs +Total Standard Deviation in ln(k): 0.6108517252544917 +""", +) + +entry( + index = 48, + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(6.16448e+06,'m^3/(mol*s)'), n=-0.144618, w0=(584,'kJ/mol'), E0=(102.471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 49, + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(490107,'m^3/(mol*s)'), n=0.201831, w0=(584,'kJ/mol'), E0=(108.551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.043461663341785264, var=0.18543765059589312, Tref=1000.0, N=2, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.9724886431361681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.9724886431361681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.9724886431361681 +""", +) + +entry( + index = 50, + label = "CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(486642,'m^3/(mol*s)'), n=0.225671, w0=(584,'kJ/mol'), E0=(108.428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 51, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs", + kinetics = ArrheniusBM(A=(4.08908e+07,'m^3/(mol*s)'), n=-0.363436, w0=(584,'kJ/mol'), E0=(109.758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06746868097934366, var=0.08249864412907129, Tref=1000.0, N=9, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs',), comment="""BM rule fitted to 9 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs + Total Standard Deviation in ln(k): 0.7453308793010623"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs +Total Standard Deviation in ln(k): 0.7453308793010623""", + longDesc = +""" +BM rule fitted to 9 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs +Total Standard Deviation in ln(k): 0.7453308793010623 +""", +) + +entry( + index = 52, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.16873e+07,'m^3/(mol*s)'), n=-0.471498, w0=(584,'kJ/mol'), E0=(108.674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07514139785501385, var=0.03091755307632206, Tref=1000.0, N=6, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.5412978274845682"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5412978274845682""", + longDesc = +""" +BM rule fitted to 6 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5412978274845682 +""", +) + +entry( + index = 53, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_Sp-6R!H-4CbCdCt", + kinetics = ArrheniusBM(A=(3.55364e+07,'m^3/(mol*s)'), n=-0.357533, w0=(584,'kJ/mol'), E0=(107.976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_Sp-6R!H-4CbCdCt',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_Sp-6R!H-4CbCdCt + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_Sp-6R!H-4CbCdCt +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_Sp-6R!H-4CbCdCt +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 54, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt", + kinetics = ArrheniusBM(A=(1.10825e+08,'m^3/(mol*s)'), n=-0.494291, w0=(584,'kJ/mol'), E0=(108.813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0739562917847758, var=0.02913633587331158, Tref=1000.0, N=5, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt',), comment="""BM rule fitted to 5 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt + Total Standard Deviation in ln(k): 0.5280154568341594"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt +Total Standard Deviation in ln(k): 0.5280154568341594""", + longDesc = +""" +BM rule fitted to 5 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt +Total Standard Deviation in ln(k): 0.5280154568341594 +""", +) + +entry( + index = 55, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(6.36692e+07,'m^3/(mol*s)'), n=-0.382746, w0=(584,'kJ/mol'), E0=(106.821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 56, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.27295e+08,'m^3/(mol*s)'), n=-0.522177, w0=(584,'kJ/mol'), E0=(109.312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07236308446794819, var=0.011171575725256783, Tref=1000.0, N=4, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.39370862245649435"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.39370862245649435""", + longDesc = +""" +BM rule fitted to 4 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.39370862245649435 +""", +) + +entry( + index = 57, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.40342e+08,'m^3/(mol*s)'), n=-0.740623, w0=(584,'kJ/mol'), E0=(109.081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07212098919745502, var=0.007692440233300485, Tref=1000.0, N=2, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.35703692796408437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.35703692796408437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.35703692796408437 +""", +) + +entry( + index = 58, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_4CbCdCt->Cd", + kinetics = ArrheniusBM(A=(1.8535e+08,'m^3/(mol*s)'), n=-0.589251, w0=(584,'kJ/mol'), E0=(107.814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_4CbCdCt->Cd',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_4CbCdCt->Cd + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 59, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_N-4CbCdCt->Cd", + kinetics = ArrheniusBM(A=(1.57523e+09,'m^3/(mol*s)'), n=-0.891994, w0=(584,'kJ/mol'), E0=(110.348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_N-4CbCdCt->Cd',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_N-4CbCdCt->Cd + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_N-4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_Ext-7R!H-R_N-4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 60, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_4CbCdCt->Cd", + kinetics = ArrheniusBM(A=(7.68921e+08,'m^3/(mol*s)'), n=-0.779019, w0=(584,'kJ/mol'), E0=(111.029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_4CbCdCt->Cd',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_4CbCdCt->Cd + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 61, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_N-4CbCdCt->Cd", + kinetics = ArrheniusBM(A=(1.16958e+06,'m^3/(mol*s)'), n=0.171554, w0=(584,'kJ/mol'), E0=(108.056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_N-4CbCdCt->Cd',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_N-4CbCdCt->Cd + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_N-4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-6R!H-R_N-Sp-6R!H-4CbCdCt_N-Sp-7R!H=6R!H_N-4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 62, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-4CbCdCt-R", + kinetics = ArrheniusBM(A=(3.11579e+08,'m^3/(mol*s)'), n=-0.607843, w0=(584,'kJ/mol'), E0=(113.515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-4CbCdCt-R',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-4CbCdCt-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-4CbCdCt-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_Ext-4CbCdCt-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 63, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_4CbCdCt->Cd", + kinetics = ArrheniusBM(A=(8.17451e+07,'m^3/(mol*s)'), n=-0.50563, w0=(584,'kJ/mol'), E0=(111.079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_4CbCdCt->Cd',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_4CbCdCt->Cd + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 64, + label = "CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_N-4CbCdCt->Cd", + kinetics = ArrheniusBM(A=(21122.7,'m^3/(mol*s)'), n=0.671539, w0=(584,'kJ/mol'), E0=(111.182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_N-4CbCdCt->Cd',), comment="""BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_N-4CbCdCt->Cd + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_N-4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_Ext-4CbCdCsCt-R_N-4CbCdCsCt->Cs_N-4CbCdCt->Cd +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 65, + label = "CH_3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(3.1861e+27,'m^3/(mol*s)'), n=-6.07002, w0=(584,'kJ/mol'), E0=(287.514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5812749967363261, var=220.69207514042446, Tref=1000.0, N=2, data_mean=0.0, correlation='CH_3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 2 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 31.242249878021042"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 31.242249878021042""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 31.242249878021042 +""", +) + +entry( + index = 66, + label = "CH_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(6.68018e-11,'m^3/(mol*s)'), n=4.72997, w0=(584,'kJ/mol'), E0=(228.996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 67, + label = "CH_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(2.79957e-05,'m^3/(mol*s)'), n=3.10993, w0=(584,'kJ/mol'), E0=(140.025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_3Br1sCCl1sF1sHI1s->F1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 68, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(0.00023561,'m^3/(mol*s)'), n=2.67696, w0=(584,'kJ/mol'), E0=(176.605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06140068338498148, var=2.176444724058605, Tref=1000.0, N=5, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 5 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 3.1118143213985663"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 3.1118143213985663""", + longDesc = +""" +BM rule fitted to 5 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 3.1118143213985663 +""", +) + +entry( + index = 69, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_3Br1sCCl1sH->Cl1s", + kinetics = ArrheniusBM(A=(3.3398e-07,'m^3/(mol*s)'), n=3.60759, w0=(584,'kJ/mol'), E0=(182.432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_3Br1sCCl1sH->Cl1s',), comment="""BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_3Br1sCCl1sH->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_3Br1sCCl1sH->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_3Br1sCCl1sH->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 70, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s", + kinetics = ArrheniusBM(A=(2.18628e-05,'m^3/(mol*s)'), n=2.94416, w0=(584,'kJ/mol'), E0=(169.46,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08450722928530859, var=2.966374345416031, Tref=1000.0, N=4, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s',), comment="""BM rule fitted to 4 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s + Total Standard Deviation in ln(k): 3.665118151344325"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s +Total Standard Deviation in ln(k): 3.665118151344325""", + longDesc = +""" +BM rule fitted to 4 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s +Total Standard Deviation in ln(k): 3.665118151344325 +""", +) + +entry( + index = 71, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(3.33872e-07,'m^3/(mol*s)'), n=3.38172, w0=(584,'kJ/mol'), E0=(175.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 72, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(0.00162495,'m^3/(mol*s)'), n=2.43564, w0=(584,'kJ/mol'), E0=(171.386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027130249649059007, var=0.9392093380070419, Tref=1000.0, N=3, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 3 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 2.0110116189485745"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 2.0110116189485745""", + longDesc = +""" +BM rule fitted to 3 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 2.0110116189485745 +""", +) + +entry( + index = 73, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C", + kinetics = ArrheniusBM(A=(5.00807e-06,'m^3/(mol*s)'), n=3.10588, w0=(584,'kJ/mol'), E0=(155.269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09627616074934456, var=0.5326628706745564, Tref=1000.0, N=2, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C',), comment="""BM rule fitted to 2 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C + Total Standard Deviation in ln(k): 1.705030867897116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C +Total Standard Deviation in ln(k): 1.705030867897116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C +Total Standard Deviation in ln(k): 1.705030867897116 +""", +) + +entry( + index = 74, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(2.24049e-06,'m^3/(mol*s)'), n=3.20888, w0=(584,'kJ/mol'), E0=(157.226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 75, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_N-2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(2.9253e-06,'m^3/(mol*s)'), n=3.16987, w0=(584,'kJ/mol'), E0=(151.216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_N-2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_N-2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_3Br1sCH->C_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 76, + label = "CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_N-3Br1sCH->C", + kinetics = ArrheniusBM(A=(5.49685e-07,'m^3/(mol*s)'), n=3.52855, w0=(584,'kJ/mol'), E0=(174.773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_N-3Br1sCH->C',), comment="""BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_N-3Br1sCH->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_N-3Br1sCH->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CH_N-3Br1sCCl1sF1sHI1s->F1s_N-3Br1sCCl1sH->Cl1s_N-2Br1sCl1sF1sHI1s->F1s_N-3Br1sCH->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 77, + label = "CY", + kinetics = ArrheniusBM(A=(104.891,'m^3/(mol*s)'), n=1.20304, w0=(555.714,'kJ/mol'), E0=(352.855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.777380006033631, var=25.083631456492316, Tref=1000.0, N=7, data_mean=0.0, correlation='CY',), comment="""BM rule fitted to 7 training reactions at node CY + Total Standard Deviation in ln(k): 14.50620618988802"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node CY +Total Standard Deviation in ln(k): 14.50620618988802""", + longDesc = +""" +BM rule fitted to 7 training reactions at node CY +Total Standard Deviation in ln(k): 14.50620618988802 +""", +) + +entry( + index = 78, + label = "CY_2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(6.49375e-13,'m^3/(mol*s)'), n=5.33465, w0=(538.667,'kJ/mol'), E0=(264.106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29053050618029913, var=10.223018529022832, Tref=1000.0, N=3, data_mean=0.0, correlation='CY_2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 3 training reactions at node CY_2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 7.139806913191501"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node CY_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 7.139806913191501""", + longDesc = +""" +BM rule fitted to 3 training reactions at node CY_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 7.139806913191501 +""", +) + +entry( + index = 79, + label = "CY_2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Br1s", + kinetics = ArrheniusBM(A=(3.01249e-05,'m^3/(mol*s)'), n=3.17037, w0=(458,'kJ/mol'), E0=(273.931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CY_2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Br1s',), comment="""BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Br1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 80, + label = "CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s", + kinetics = ArrheniusBM(A=(1.2012e-10,'m^3/(mol*s)'), n=4.66895, w0=(579,'kJ/mol'), E0=(278.225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17521033742536213, var=13.662879193128079, Tref=1000.0, N=2, data_mean=0.0, correlation='CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s',), comment="""BM rule fitted to 2 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s + Total Standard Deviation in ln(k): 7.850395820592586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 7.850395820592586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s +Total Standard Deviation in ln(k): 7.850395820592586 +""", +) + +entry( + index = 81, + label = "CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_5Cl1sF1s->F1s", + kinetics = ArrheniusBM(A=(4.96165e-06,'m^3/(mol*s)'), n=3.30609, w0=(658,'kJ/mol'), E0=(300.389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_5Cl1sF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_5Cl1sF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_5Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_5Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 82, + label = "CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_N-5Cl1sF1s->F1s", + kinetics = ArrheniusBM(A=(1.78425e-05,'m^3/(mol*s)'), n=3.22746, w0=(500,'kJ/mol'), E0=(286.146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_N-5Cl1sF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_N-5Cl1sF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_N-5Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CY_2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Br1s_N-5Cl1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 83, + label = "CY_N-2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(8.68619e-06,'m^3/(mol*s)'), n=3.22251, w0=(568.5,'kJ/mol'), E0=(340.237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21935560952967964, var=6.817060158071854, Tref=1000.0, N=4, data_mean=0.0, correlation='CY_N-2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 4 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 5.785407896000591"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 5.785407896000591""", + longDesc = +""" +BM rule fitted to 4 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 5.785407896000591 +""", +) + +entry( + index = 84, + label = "CY_N-2Br1sCl1sF1sHI1s->H_Ext-4Cs-R", + kinetics = ArrheniusBM(A=(1.33582e-06,'m^3/(mol*s)'), n=3.3552, w0=(658,'kJ/mol'), E0=(372.673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CY_N-2Br1sCl1sF1sHI1s->H_Ext-4Cs-R',), comment="""BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_Ext-4Cs-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_Ext-4Cs-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_Ext-4Cs-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 85, + label = "CY_N-2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Cl1s", + kinetics = ArrheniusBM(A=(3.42311e-06,'m^3/(mol*s)'), n=3.42841, w0=(500,'kJ/mol'), E0=(332.503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CY_N-2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_5Br1sCl1sF1sI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 86, + label = "CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s", + kinetics = ArrheniusBM(A=(2.76839e-08,'m^3/(mol*s)'), n=3.93843, w0=(558,'kJ/mol'), E0=(331.989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.3048192623022214, var=16.823155120458388, Tref=1000.0, N=2, data_mean=0.0, correlation='CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s',), comment="""BM rule fitted to 2 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s + Total Standard Deviation in ln(k): 14.013632522321476"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s +Total Standard Deviation in ln(k): 14.013632522321476""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s +Total Standard Deviation in ln(k): 14.013632522321476 +""", +) + +entry( + index = 87, + label = "CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_5Br1sF1s->F1s", + kinetics = ArrheniusBM(A=(6.158e-07,'m^3/(mol*s)'), n=3.54561, w0=(658,'kJ/mol'), E0=(334.807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_5Br1sF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_5Br1sF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_5Br1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_5Br1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 88, + label = "CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_N-5Br1sF1s->F1s", + kinetics = ArrheniusBM(A=(7.43831e-06,'m^3/(mol*s)'), n=3.35156, w0=(458,'kJ/mol'), E0=(323.891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_N-5Br1sF1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_N-5Br1sF1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_N-5Br1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CY_N-2Br1sCl1sF1sHI1s->H_N-5Br1sCl1sF1sI1s->Cl1s_N-5Br1sF1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 89, + label = "OHOY", + kinetics = ArrheniusBM(A=(2.13916e+09,'m^3/(mol*s)'), n=-1.00842, w0=(614,'kJ/mol'), E0=(194.239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17406617270594374, var=16.167420070870673, Tref=1000.0, N=4, data_mean=0.0, correlation='OHOY',), comment="""BM rule fitted to 4 training reactions at node OHOY + Total Standard Deviation in ln(k): 8.498137434485294"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node OHOY +Total Standard Deviation in ln(k): 8.498137434485294""", + longDesc = +""" +BM rule fitted to 4 training reactions at node OHOY +Total Standard Deviation in ln(k): 8.498137434485294 +""", +) + +entry( + index = 90, + label = "OH", + kinetics = ArrheniusBM(A=(2.13916e+09,'m^3/(mol*s)'), n=-1.00842, w0=(614,'kJ/mol'), E0=(194.239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17406617270594374, var=16.167420070870673, Tref=1000.0, N=4, data_mean=0.0, correlation='OH',), comment="""BM rule fitted to 4 training reactions at node OH + Total Standard Deviation in ln(k): 8.498137434485294"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node OH +Total Standard Deviation in ln(k): 8.498137434485294""", + longDesc = +""" +BM rule fitted to 4 training reactions at node OH +Total Standard Deviation in ln(k): 8.498137434485294 +""", +) + +entry( + index = 91, + label = "OH_2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(4.67448e-06,'m^3/(mol*s)'), n=3.15288, w0=(614,'kJ/mol'), E0=(90.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='OH_2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 1 training reactions at node OH_2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node OH_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node OH_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 92, + label = "OH_N-2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(4.23875e-06,'m^3/(mol*s)'), n=3.21724, w0=(614,'kJ/mol'), E0=(164.088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.108323539544058, var=9.91321701645709, Tref=1000.0, N=3, data_mean=0.0, correlation='OH_N-2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 3 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 6.58413054393339"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 6.58413054393339""", + longDesc = +""" +BM rule fitted to 3 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 6.58413054393339 +""", +) + +entry( + index = 93, + label = "OH_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1sI1s->F1s", + kinetics = ArrheniusBM(A=(1.76395e-12,'m^3/(mol*s)'), n=5.02686, w0=(614,'kJ/mol'), E0=(167.02,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='OH_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1sI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1sI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_2Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 94, + label = "OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s", + kinetics = ArrheniusBM(A=(2.63835e-09,'m^3/(mol*s)'), n=4.14506, w0=(614,'kJ/mol'), E0=(143.299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23722374380764835, var=0.044009247151562056, Tref=1000.0, N=2, data_mean=0.0, correlation='OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s',), comment="""BM rule fitted to 2 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s + Total Standard Deviation in ln(k): 1.016600520901901"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 1.016600520901901""", + longDesc = +""" +BM rule fitted to 2 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s +Total Standard Deviation in ln(k): 1.016600520901901 +""", +) + +entry( + index = 95, + label = "OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(2.23354e-09,'m^3/(mol*s)'), n=4.16722, w0=(614,'kJ/mol'), E0=(144.228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 96, + label = "OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_N-2Br1sCl1s->Cl1s", + kinetics = ArrheniusBM(A=(1.67626e-09,'m^3/(mol*s)'), n=4.20006, w0=(614,'kJ/mol'), E0=(141.512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_N-2Br1sCl1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_N-2Br1sCl1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node OH_N-2Br1sCl1sF1sHI1s->H_N-2Br1sCl1sF1sI1s->F1s_N-2Br1sCl1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 97, + label = "CC", + kinetics = ArrheniusBM(A=(1.34094e-99,'m^3/(mol*s)'), n=30.0383, w0=(519,'kJ/mol'), E0=(51.9,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6620854538738407, var=85.54837375342689, Tref=1000.0, N=3, data_mean=0.0, correlation='CC',), comment="""BM rule fitted to 3 training reactions at node CC + Total Standard Deviation in ln(k): 20.20579991644221"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node CC +Total Standard Deviation in ln(k): 20.20579991644221""", + longDesc = +""" +BM rule fitted to 3 training reactions at node CC +Total Standard Deviation in ln(k): 20.20579991644221 +""", +) + +entry( + index = 98, + label = "CC_2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(4.75016e+11,'m^3/(mol*s)'), n=-1.62726, w0=(519,'kJ/mol'), E0=(415.907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02873165458744823, var=48.530456786660096, Tref=1000.0, N=2, data_mean=0.0, correlation='CC_2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 2 training reactions at node CC_2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 14.037937368069308"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CC_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 14.037937368069308""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CC_2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 14.037937368069308 +""", +) + +entry( + index = 99, + label = "CC_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(5.7066e-06,'m^3/(mol*s)'), n=3.19155, w0=(519,'kJ/mol'), E0=(387.908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CC_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CC_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CC_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CC_2Br1sCl1sF1sHI1s->H_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 100, + label = "CC_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(0.000166864,'m^3/(mol*s)'), n=2.82973, w0=(519,'kJ/mol'), E0=(346.264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CC_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CC_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CC_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CC_2Br1sCl1sF1sHI1s->H_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 101, + label = "CC_N-2Br1sCl1sF1sHI1s->H", + kinetics = ArrheniusBM(A=(2.22791e-07,'m^3/(mol*s)'), n=3.59921, w0=(519,'kJ/mol'), E0=(453.783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CC_N-2Br1sCl1sF1sHI1s->H',), comment="""BM rule fitted to 1 training reactions at node CC_N-2Br1sCl1sF1sHI1s->H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CC_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CC_N-2Br1sCl1sF1sHI1s->H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 102, + label = "CO", + kinetics = ArrheniusBM(A=(1.33981e+28,'m^3/(mol*s)'), n=-6.56923, w0=(531,'kJ/mol'), E0=(379.915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6010424776860186, var=51.413166251670845, Tref=1000.0, N=3, data_mean=0.0, correlation='CO',), comment="""BM rule fitted to 3 training reactions at node CO + Total Standard Deviation in ln(k): 15.884703894552402"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node CO +Total Standard Deviation in ln(k): 15.884703894552402""", + longDesc = +""" +BM rule fitted to 3 training reactions at node CO +Total Standard Deviation in ln(k): 15.884703894552402 +""", +) + +entry( + index = 103, + label = "CO_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(2.14358e+07,'m^3/(mol*s)'), n=-0.641018, w0=(531,'kJ/mol'), E0=(341.525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17570294811609, var=29.477358162589667, Tref=1000.0, N=2, data_mean=0.0, correlation='CO_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 2 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.325783866314726"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.325783866314726""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.325783866314726 +""", +) + +entry( + index = 104, + label = "CO_2Br1sCl1sF1sHI1s->F1s_3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(1.40908e-07,'m^3/(mol*s)'), n=3.45227, w0=(531,'kJ/mol'), E0=(320.794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CO_2Br1sCl1sF1sHI1s->F1s_3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s_3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s_3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 105, + label = "CO_2Br1sCl1sF1sHI1s->F1s_N-3Br1sCCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(2.12553e-07,'m^3/(mol*s)'), n=3.34134, w0=(531,'kJ/mol'), E0=(278.221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CO_2Br1sCl1sF1sHI1s->F1s_N-3Br1sCCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s_N-3Br1sCCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CO_2Br1sCl1sF1sHI1s->F1s_N-3Br1sCCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 106, + label = "CO_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(1.26474e-05,'m^3/(mol*s)'), n=2.95311, w0=(531,'kJ/mol'), E0=(223.988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CO_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node CO_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CO_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CO_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + diff --git a/input/kinetics/families/1,2_Insertion_carbene/training/dictionary.txt b/input/kinetics/families/1,2_Insertion_carbene/training/dictionary.txt index 273a9bd5cc..4999fceafb 100644 --- a/input/kinetics/families/1,2_Insertion_carbene/training/dictionary.txt +++ b/input/kinetics/families/1,2_Insertion_carbene/training/dictionary.txt @@ -1,10 +1,10 @@ benzene -1 *2 C u0 p0 c0 {2,D} {6,S} {7,S} -2 C u0 p0 c0 {1,D} {3,S} {8,S} -3 C u0 p0 c0 {2,S} {4,D} {9,S} -4 C u0 p0 c0 {3,D} {5,S} {10,S} -5 C u0 p0 c0 {4,S} {6,D} {11,S} -6 C u0 p0 c0 {1,S} {5,D} {12,S} +1 *2 C u0 p0 c0 {2,B} {6,B} {7,S} +2 C u0 p0 c0 {1,B} {3,B} {8,S} +3 C u0 p0 c0 {2,B} {4,B} {9,S} +4 C u0 p0 c0 {3,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {1,B} {5,B} {12,S} 7 *3 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} @@ -13,25 +13,25 @@ benzene 12 H u0 p0 c0 {6,S} CH2CCH2 -1 *2 C u0 p0 c0 {2,D} {4,S} {5,S} -2 C u0 p0 c0 {1,D} {3,D} -3 C u0 p0 c0 {2,D} {6,S} {7,S} +1 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 C u0 p0 c0 {1,D} {2,D} 4 *3 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} CH3CCCH3_r1 -1 *2 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,T} -3 C u0 p0 c0 {2,T} {4,S} -4 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +1 *2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {2,S} {3,T} 5 *3 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} CH3CHCH2 1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} @@ -45,19 +45,19 @@ CH3CHCH2 9 H u0 p0 c0 {3,S} CH3CH2CCCH3 -1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -2 *2 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {5,S} -5 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -6 *3 H u0 p0 c0 {1,S} +1 *2 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {5,T} +5 C u0 p0 c0 {3,S} {4,T} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} +8 *3 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} CH3CCH 1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} @@ -69,27 +69,27 @@ CH3CCH 7 H u0 p0 c0 {3,S} CH3CHCHCH3 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,S} {9,S} -4 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {11,S} +4 C u0 p0 c0 {2,S} {3,D} {12,S} 5 *3 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} CH3CH2CCH -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} -3 C u0 p0 c0 {2,S} {4,T} +1 *2 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,T} 4 C u0 p0 c0 {3,T} {10,S} -5 *3 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {4,S} @@ -100,64 +100,64 @@ CH2 3 H u0 p0 c0 {1,S} CH2CHCHCH2_r2 -1 C u0 p0 c0 {2,D} {5,S} {6,S} -2 *2 C u0 p0 c0 {1,D} {3,S} {7,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 C u0 p0 c0 {3,D} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {2,S} +1 *2 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 *3 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {4,S} CH2CHCHCH2_r1 -1 *2 C u0 p0 c0 {2,D} {5,S} {6,S} -2 C u0 p0 c0 {1,D} {3,S} {7,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 C u0 p0 c0 {3,D} {9,S} {10,S} -5 *3 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 *2 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 *3 H u0 p0 c0 {3,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {4,S} CH3CHCCH2 1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,D} -4 C u0 p0 c0 {3,D} {9,S} {10,S} +2 *2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {4,D} {9,S} {10,S} +4 C u0 p0 c0 {2,D} {3,D} 5 *3 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} CH3CCCH3 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,T} -3 *2 C u0 p0 c0 {2,T} {4,S} -4 *1 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,T} +4 *2 C u0 p0 c0 {2,S} {3,T} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} -8 *3 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +8 *3 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} CH2C(CH3)CH3 -1 C u0 p0 c0 {2,D} {5,S} {6,S} -2 *2 C u0 p0 c0 {1,D} {3,S} {4,S} -3 *1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 *3 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {4,S} @@ -176,21 +176,21 @@ C2H2 4 H u0 p0 c0 {2,S} toluene -1 *2 C u0 p0 c0 {2,D} {6,S} {7,S} -2 C u0 p0 c0 {1,D} {3,S} {8,S} -3 C u0 p0 c0 {2,S} {4,D} {9,S} -4 C u0 p0 c0 {3,D} {5,S} {10,S} -5 C u0 p0 c0 {4,S} {6,D} {11,S} -6 C u0 p0 c0 {1,S} {5,D} {12,S} -7 *1 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 *3 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 *2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} CH3CCH_r2 1 *2 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} @@ -211,28 +211,28 @@ CH3CCH_r1 7 *3 H u0 p0 c0 {3,S} CH2C(CH3)CHCH2 -1 C u0 p0 c0 {2,D} {6,S} {7,S} -2 *2 C u0 p0 c0 {1,D} {3,S} {4,S} -3 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {5,D} {11,S} -5 C u0 p0 c0 {4,D} {12,S} {13,S} -6 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 *2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 C u0 p0 c0 {2,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 C u0 p0 c0 {3,D} {12,S} {13,S} +6 *3 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} -8 *3 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {5,S} CH3CH2CHCH2 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} -3 C u0 p0 c0 {2,S} {4,D} {10,S} +1 *2 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,D} {10,S} 4 C u0 p0 c0 {3,D} {11,S} {12,S} -5 *3 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} @@ -287,3 +287,679 @@ CH3CHCHCHCH2 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {5,S} +CHF_r1 +1 F u0 p3 c0 {2,S} +2 *1 C u0 p1 c0 {1,S} {3,S} +3 H u0 p0 c0 {2,S} + +H2_r23 +1 *2 H u0 p0 c0 {2,S} +2 *3 H u0 p0 c0 {1,S} + +CF_p123 +1 F u0 p3 c0 {2,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 *2 H u0 p0 c0 {2,S} +5 *3 H u0 p0 c0 {2,S} + +CF4_r23 +1 *3 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +CF2_r1 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 *1 C u0 p1 c0 {1,S} {2,S} + +FC(F)(F)C(F)(F)F_p123 +1 *3 F u0 p3 c0 {8,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {8,S} +6 F u0 p3 c0 {8,S} +7 *2 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +8 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} + +FCF_p123 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *2 H u0 p0 c0 {3,S} +5 *3 H u0 p0 c0 {3,S} + +CH2Cl2 +1 Cl u0 p3 c0 {3,S} +2 *2 Cl u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 *3 H u0 p0 c0 {3,S} + +CHCl +1 Cl u0 p3 c0 {2,S} +2 *1 C u0 p1 c0 {1,S} {3,S} +3 H u0 p0 c0 {2,S} + +ClH +1 *2 Cl u0 p3 c0 {2,S} +2 *3 H u0 p0 c0 {1,S} + +Br2 +1 *2 Br u0 p3 c0 {2,S} +2 *3 Br u0 p3 c0 {1,S} + +CBr2F2 +1 *2 Br u0 p3 c0 {5,S} +2 *3 Br u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +CHClF2 +1 *2 Cl u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 H u0 p0 c0 {4,S} + +BrH +1 *2 Br u0 p3 c0 {2,S} +2 *3 H u0 p0 c0 {1,S} + +CHBrF2 +1 *2 Br u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 H u0 p0 c0 {4,S} + +CF4 +1 *2 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 *3 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +C2F6 +1 *2 F u0 p3 c0 {8,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {8,S} +6 F u0 p3 c0 {8,S} +7 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +8 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} + +CH3Cl +1 *2 Cl u0 p3 c0 {2,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 *3 H u0 p0 c0 {2,S} + +CHCl3 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 *2 Cl u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 H u0 p0 c0 {4,S} + +CCl2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *1 C u0 p1 c0 {1,S} {2,S} + +Cl2 +1 *2 Cl u0 p3 c0 {2,S} +2 *3 Cl u0 p3 c0 {1,S} + +CCl4 +1 *2 Cl u0 p3 c0 {5,S} +2 *3 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 Cl u0 p3 c0 {5,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +CCl2F2 +1 *2 Cl u0 p3 c0 {5,S} +2 *3 Cl u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +CHCl3-2 +1 *2 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {4,S} +4 *3 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} + +C2HCl5 +1 *2 Cl u0 p3 c0 {7,S} +2 Cl u0 p3 c0 {6,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {7,S} +5 Cl u0 p3 c0 {7,S} +6 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +7 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +8 H u0 p0 c0 {6,S} + +CH3Cl-2 +1 Cl u0 p3 c0 {2,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 *3 H u0 p0 c0 {2,S} +5 *2 H u0 p0 c0 {2,S} + +CHBr +1 Br u0 p3 c0 {2,S} +2 *1 C u0 p1 c0 {1,S} {3,S} +3 H u0 p0 c0 {2,S} + +CH2Br2 +1 Br u0 p3 c0 {3,S} +2 *2 Br u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 *3 H u0 p0 c0 {3,S} + +FH +1 *2 F u0 p3 c0 {2,S} +2 *3 H u0 p0 c0 {1,S} + +CHF3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *2 F u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 H u0 p0 c0 {4,S} + +CH2F2 +1 F u0 p3 c0 {3,S} +2 *2 F u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 *3 H u0 p0 c0 {3,S} + +CH3Br +1 Br u0 p3 c0 {2,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 *3 H u0 p0 c0 {2,S} +5 *2 H u0 p0 c0 {2,S} + +C2H4ClF +1 *2 Cl u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 *3 H u0 p0 c0 {4,S} + +C2H3F +1 F u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *1 C u0 p1 c0 {1,S} {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +C2H4ClF-2 +1 Cl u0 p3 c0 {4,S} +2 *2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 *3 H u0 p0 c0 {4,S} + +C2H3Cl +1 Cl u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *1 C u0 p1 c0 {1,S} {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 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p0 c0 {4,S} {6,S} {7,S} {8,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} + +CH3FO +1 F u0 p3 c0 {3,S} +2 *2 O u0 p2 c0 {3,S} {6,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 *3 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {2,S} + +C2H3ClF2 +1 *3 Cl u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *2 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} + +C2H6 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C3H7F-2 +1 F u0 p3 c0 {2,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +4 *2 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +C3H6F2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *3 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +5 *2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} + +CH4O +1 *2 O u0 p2 c0 {2,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} + +C2H5FO +1 F u0 p3 c0 {3,S} +2 *2 O u0 p2 c0 {3,S} {9,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *3 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {2,S} + +C2H4F2O +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *2 O u0 p2 c0 {4,S} {9,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {3,S} + +C2H6O +1 *2 O u0 p2 c0 {2,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {1,S} + +C3H8 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +CBr2 +1 Br u0 p3 c0 {3,S} +2 Br u0 p3 c0 {3,S} +3 *1 C u0 p1 c0 {1,S} {2,S} + +CH2Br2O +1 Br u0 p3 c0 {4,S} +2 Br u0 p3 c0 {4,S} +3 *2 O u0 p2 c0 {4,S} {6,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {3,S} + +C2H4Br2 +1 Br u0 p3 c0 {3,S} +2 Br u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *2 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +5 *3 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +C2H4Cl2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *2 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +5 *3 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +CH2Cl2O +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 *2 O u0 p2 c0 {4,S} {6,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {3,S} + diff --git a/input/kinetics/families/1,2_Insertion_carbene/training/reactions.py b/input/kinetics/families/1,2_Insertion_carbene/training/reactions.py index db08627531..989db4abad 100644 --- a/input/kinetics/families/1,2_Insertion_carbene/training/reactions.py +++ b/input/kinetics/families/1,2_Insertion_carbene/training/reactions.py @@ -6,6 +6,21 @@ longDesc = u""" Put kinetic parameters for specific reactions in this file to use as a training set for generating rate rules to populate this kinetics family. +Sources: +[1] Characterization of the 1,1-HCl Elimination Reaction of Vibrationally Excited CD3CHFCl Molecules and Assignment of Threshold Energies for 1,1-HCl and 1,2-DCl plus 1,1-HF and 1,2-DF Elimination Reactions + Timothy M. Brown, Matthew J. Nestler, Samuel M. Rossabi, George L. Heard, D. W. Setser, and Bert E. Holmes + The Journal of Physical Chemistry A 2015 119 (36), 9441-9451 + DOI: 10.1021/acs.jpca.5b06638 + +[2] Unimolecular HBr and HF Elimination Reactions of Vibrationally Excited C2H5CH2Br and C2D5CHFBr: Identification of the 1,1-HBr Elimination Reaction from C2D5CHFBr and Search for the C2D5(F)C:HBr Adduct + Timothy M. Brown, Blanton R. Gillespie, Mallory M. Rothrock, Anthony J. Ranieri, Melinda K. Schueneman, George L. Heard, Donald W. Setser, and Bert E. Holmes + The Journal of Physical Chemistry A 2019 123 (41), 8776-8786 + DOI: 10.1021/acs.jpca.9b07029 + +[3] The Unimolecular Reactions of CF3CHF2 Studied by Chemical Activation: Assignment of Rate Constants and Threshold Energies to the 1,2-H Atom Transfer, 1,1-HF and 1,2-HF Elimination Reactions, and the Dependence of Threshold Energies on the Number of F-Atom Substituents in the Fluoroethane Molecules + Caleb A. Smith, Blanton R. Gillespie, George L. Heard, D. W. Setser, and Bert E. Holmes + The Journal of Physical Chemistry A 2017 121 (46), 8746-8756 + DOI: 10.1021/acs.jpca.7b06769 """ entry( index = 0, @@ -331,3 +346,995 @@ """, ) +entry( + index = 12, + label = "Br2 + CF2_r1 <=> CBr2F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+09,'cm^3/(mol*s)'), n=0, Ea=(1030,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2 + BR2 <=> CF2BR2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2 + BR2 <=> CF2BR2 +""", +) + +entry( + index = 13, + label = "CHClF2 <=> CF2_r1 + ClH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.41e+13,'s^-1'), n=0, Ea=(53465,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2CL <=> CF2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2CL <=> CF2 + HCL +""", +) + +entry( + index = 14, + label = "BrH + CF2_r1 <=> CHBrF2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.14e+11,'cm^3/(mol*s)'), n=0, Ea=(9560,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2 + HBR <=> CHF2BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2 + HBR <=> CHF2BR +""", +) + +entry( + index = 15, + label = "CH3Cl <=> CH2 + ClH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+28,'s^-1'), n=-5.15, Ea=(109670,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CL <=> CH2(S) + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CL <=> CH2(S) + HCL +""", +) + +entry( + index = 16, + label = "CHCl3 <=> CCl2 + ClH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.2e+12,'s^-1'), n=0, Ea=(51500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL3 <=> CCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL3 <=> CCL2 + HCL +""", +) + +entry( + index = 17, + label = "Cl2 + CCl2 <=> CCl4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(6000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CCL2 + CL2 <=> CCL4""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CCL2 + CL2 <=> CCL4 +""", +) + +entry( + index = 18, + label = "Cl2 + CF2_r1 <=> CCl2F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.21e+08,'cm^3/(mol*s)'), n=0, Ea=(2110,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2 + CL2 <=> CF2CL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2 + CL2 <=> CF2CL2 +""", +) + +entry( + index = 19, + label = "CHCl3-2 + CCl2 <=> C2HCl5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.39e+11,'cm^3/(mol*s)'), n=0, Ea=(11900,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CCL2 + CHCL3 <=> C2HCL5""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CCL2 + CHCL3 <=> C2HCL5 +""", +) + +entry( + index = 20, + label = "CHCl + ClH <=> CH2Cl2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment=""""""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier is submerged = -20.411 kJ/mol +assume barrierless + +Cl -1.713168 -0.072738 0.025808 +H -0.448144 1.711652 0.501838 +C -0.399293 0.909528 -0.247448 +Cl 2.150168 -0.467838 -0.498352 +H 0.984247 0.251576 -0.706437 +""", +) + +entry( + index = 21, + label = "CHCl + H2_r23 <=> CH3Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39739e+06,'cm^3/(mol*s)'), n=2.08325, Ea=(9.93074,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.18262, dn = +|- 0.0220362, dEa = +|- 0.11992 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 19.586 kJ/mol + +Cl -1.140263 -0.231728 0.139039 +H 0.773484 0.766065 0.812477 +C 0.424494 0.433777 -0.180209 +H 1.555152 -1.088451 0.370826 +H 1.492213 -0.788943 -0.344024 +""", +) + +entry( + index = 22, + label = "CF2_r1 + CF4_r23 <=> FC(F)(F)C(F)(F)F_p123", + degeneracy = 4.0, + kinetics = Arrhenius(A=(5.34327,'cm^3/(mol*s)'), n=3.3552, Ea=(272.197,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.1212, dn = +|- 0.0150298, dEa = +|- 0.0817915 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 279.045 kJ/mol + +F 0.145393 -1.101329 -0.717923 +F 1.830989 0.486732 -0.972091 +F 1.839973 -0.632008 0.810651 +F -0.937617 1.217267 -0.5759 +F -1.923556 -0.619567 -0.405348 +F -0.928867 0.033717 1.314709 +C 1.104489 0.095507 0.028512 +C -0.841664 0.045031 0.00564 +""", +) + +entry( + index = 23, + label = "CHBr + BrH <=> CH2Br2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment=""""""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Could not locate TS with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +assuming barrierless +""", +) + +entry( + index = 24, + label = "CF2_r1 + FH <=> CHF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00398081,'cm^3/(mol*s)'), n=4.16158, Ea=(55.7474,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.20446, dn = +|- 0.152998, dEa = +|- 0.832608 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 83.554 kJ/mol + +F -1.173077 -0.391031 0.028581 +F -0.437426 1.397459 0.811619 +C -0.33304 0.554819 -0.141255 +F 1.395651 -0.254871 0.084683 +H 0.713632 0.379043 -0.723127 +""", +) + +entry( + index = 25, + label = "CHF_r1 + FH <=> CH2F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9488.44,'cm^3/(mol*s)'), n=2.40423, Ea=(-1.8086,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15696, dn = +|- 0.019155, dEa = +|- 0.104241 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 10.871 kJ/mol + +F 1.040784 -0.424239 -0.070737 +H -0.890091 -0.255937 -0.100793 +C 0.016789 0.310713 -0.33722 +F -0.097871 1.714272 1.053627 +H 0.061969 1.563821 -0.063856 +""", +) + +entry( + index = 26, + label = "CHF_r1 + H2_r23 <=> CF_p123", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.13948e+06,'cm^3/(mol*s)'), n=1.96174, Ea=(10.3842,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.23287, dn = +|- 0.0275038, dEa = +|- 0.149675 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 20.698 kJ/mol + +F -1.192549 -0.408095 0.055992 +H -0.234984 1.111644 0.760794 +C -0.504484 0.687358 -0.232742 +H 1.203766 -0.016631 0.056779 +H 0.923371 0.192935 -0.648684 +""", +) + +entry( + index = 27, + label = "CF2_r1 + H2_r23 <=> FCF_p123", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00326413,'cm^3/(mol*s)'), n=4.30786, Ea=(109.478,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 6.37258, dn = +|- 0.243316, dEa = +|- 1.32412 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 143.899 kJ/mol + +F -0.128793 -1.084934 -0.216679 +F -0.095222 1.059355 -0.146325 +C 0.391577 -0.040297 0.416646 +H -0.625432 -0.063401 1.611109 +H 0.32886 -0.078592 1.611489 +""", +) + +entry( + index = 28, + label = "CHBr + H2_r23 <=> CH3Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.50896e+06,'cm^3/(mol*s)'), n=2.11145, Ea=(7.35429,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.17058, dn = +|- 0.0206925, dEa = +|- 0.112608 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 16.373 kJ/mol + +Br -1.272767 -0.236652 0.148971 +H 0.785723 0.774036 0.814768 +C 0.45292 0.467056 -0.192011 +H 1.594591 -1.111476 0.36596 +H 1.544614 -0.802244 -0.339578 +""", +) + +entry( + index = 29, + label = "C2H4ClF <=> C2H3F + ClH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39e+15,'s^-1'), n=0, Ea=(73,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Training reaction from kinetics library: HY_elim +Original entry: CH3CHFCl <=> CH3CF + HCl +From [1] +Arrhenius form (s−1) at 1000 K +""", +) + +entry( + index = 30, + label = "C2H4ClF-2 <=> C2H3Cl + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.97e+14,'s^-1'), n=0, Ea=(75.5,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Training reaction from kinetics library: HY_elim +Original entry: CH3CHFCl_2 <=> CH3CCl + HF +From [1] +Arrhenius form (s−1) at 1000 K +""", +) + +entry( + index = 31, + label = "C2H4BrF <=> C2H3F + BrH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39e+15,'s^-1'), n=0, Ea=(65.8,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Ea taken from Table 3 in [2] +A factor taken for CH3CHFCl <=> CH3CF + HCl in [1] +""", +) + +entry( + index = 32, + label = "C2H3BrF2 <=> C2H2F2 + BrH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39e+15,'s^-1'), n=0, Ea=(70.7,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Training reaction from kinetics library: HY_elim +Original entry: CH2FCHFBr <=> CH2FCF + HBr +Ea taken from Table 3 in [2] +A factor taken for CH3CHFCl <=> CH3CF + HCl in [1] +""", +) + +entry( + index = 33, + label = "C2H2BrF3 <=> C2HF3 + BrH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39e+15,'s^-1'), n=0, Ea=(75.5,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Ea taken from Table 3 in [2] +A factor taken for CH3CHFCl <=> CH3CF + HCl in [1] +""", +) + +entry( + index = 34, + label = "C2HBrF4 <=> C2F4 + BrH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39e+15,'s^-1'), n=0, Ea=(77.3,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Ea taken from Table 3 in [2] +A factor taken for CH3CHFCl <=> CH3CF + HCl in [1] +""", +) + +entry( + index = 35, + label = "C3H6BrF <=> C3H5F + BrH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39e+15,'s^-1'), n=0, Ea=(66,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Ea taken from Table 3 in [2] +A factor taken for CH3CHFCl <=> CH3CF + HCl in [1] +""", +) + +entry( + index = 36, + label = "C2H4F2 <=> C2H3F + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.97e+14,'s^-1'), n=0, Ea=(74,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """experimental""", + longDesc = +""" +Ea taken from Table 2 in [3] +A factor taken for CH3CHFCl <=> CH3CCl + HF in [1] +""", +) + +entry( + index = 37, + label = "C2H3F3 <=> C2H2F2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.97e+14,'s^-1'), n=0, Ea=(77,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """experimental""", + longDesc = +""" +Ea taken from Table 2 in [3] +A factor taken for CH3CHFCl <=> CH3CCl + HF in [1] +""", +) + +entry( + index = 38, + label = "C2H2F4 <=> C2HF3 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.97e+14,'s^-1'), n=0, Ea=(84,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """M062X/6-311G(2d,p)""", + longDesc = +""" +Ea taken from Table 2 in [3] +A factor taken for CH3CHFCl <=> CH3CCl + HF in [1] +""", +) + +entry( + index = 39, + label = "C2HF5 <=> C2F4 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.97e+14,'s^-1'), n=0, Ea=(85,'kcal/mol'), T0=(1,'K')), + rank = 7, + shortDesc = """M062X/6-311G(2d,p)""", + longDesc = +""" +Ea taken from Table 2 in [3] +A factor taken for CH3CHFCl <=> CH3CCl + HF in [1] +""", +) + +entry( + index = 40, + label = "C2H3Br + CH4 <=> C3H7Br", + degeneracy = 4.0, + kinetics = Arrhenius(A=(11.7012,'cm^3/(mol*s)'), n=3.16987, Ea=(35.1917,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0603, dn = +|- 0.00769279, dEa = +|- 0.0418639 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 46.031 kJ/mol + +Br -0.692934 -1.755445 -0.337842 +C -0.959406 1.053029 -0.156715 +C -0.385181 -0.099815 0.60748 +C 1.706166 0.224468 -0.070066 +H -2.034981 1.010395 0.033369 +H -0.586287 1.991132 0.255145 +H -0.815173 1.035815 -1.240143 +H 0.872973 0.004361 0.839758 +H 1.352014 0.201505 -1.09025 +H 2.391433 -0.592632 0.139201 +H 2.092887 1.197348 0.221323 +""", +) + +entry( + index = 41, + label = "C2H3Cl + CH4 <=> C3H7Cl", + degeneracy = 4.0, + kinetics = Arrhenius(A=(8.96195,'cm^3/(mol*s)'), n=3.20888, Ea=(40.549,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04063, dn = +|- 0.00523243, dEa = +|- 0.0284747 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 51.879 kJ/mol + +Cl -0.653952 -1.619534 -0.308083 +C -0.961682 1.040042 -0.159188 +C -0.385031 -0.124314 0.584529 +C 1.700254 0.213937 -0.071232 +H -2.037394 0.995706 0.028271 +H -0.589834 1.97368 0.261361 +H -0.814271 1.02929 -1.242861 +H 0.862495 -0.01145 0.842218 +H 1.349583 0.175761 -1.092464 +H 2.391295 -0.595426 0.149619 +H 2.080046 1.192468 0.209091 +""", +) + +entry( + index = 42, + label = "C2H3F + CH4 <=> C3H7F", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.33549,'cm^3/(mol*s)'), n=3.38172, Ea=(55.0573,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.07084, dn = +|- 0.008992, dEa = +|- 0.0489341 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 68.906 kJ/mol + +F 1.124633 -1.241279 -0.302952 +C 1.32193 1.003034 0.2504 +C 1.181235 -0.002325 -0.849027 +C -0.94433 0.258106 -1.076336 +H 2.35946 0.9369 0.584564 +H 1.158066 2.008218 -0.13081 +H 0.67833 0.815849 1.11549 +H 0.226633 0.151346 -1.635444 +H -1.086597 -0.265425 -0.140502 +H -1.482804 -0.22235 -1.890876 +H -1.151495 1.320336 -1.008378 +""", +) + +entry( + index = 43, + label = "CHF_r1 + CH3Br-2 <=> C2H4BrF-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(30.1249,'cm^3/(mol*s)'), n=3.17037, Ea=(120.81,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.07904, dn = +|- 0.00999483, dEa = +|- 0.0543915 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 129.617 kJ/mol + +Br -0.911553 -0.259394 0.073238 +F 1.707081 -0.341313 -1.113424 +H 1.501427 -0.4996 0.833006 +H 0.383799 2.14802 -0.936374 +H -1.169658 2.179089 -0.015238 +H 0.399801 2.238748 0.877259 +C 1.335129 0.233491 0.028853 +C -0.119316 1.918099 -0.01044 +""", +) + +entry( + index = 44, + label = "CF2_r1 + CH3Br-2 <=> C2H3BrF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.43831,'cm^3/(mol*s)'), n=3.35156, Ea=(209.26,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14968, dn = +|- 0.0183253, dEa = +|- 0.0997254 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 216.094 kJ/mol + +Br 0.38892 0.005147 -2.035482 +F 2.147557 1.132453 0.007161 +F 2.19423 -0.967509 0.045684 +H -0.681321 0.942421 0.693655 +H -1.564558 -0.01086 -0.562074 +H -0.641569 -0.879156 0.726163 +C 1.406554 0.067923 0.159177 +C -0.744952 0.019601 0.139166 +""", +) + +entry( + index = 45, + label = "CHF_r1 + CH3F <=> C2H4F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.96165,'cm^3/(mol*s)'), n=3.30609, Ea=(133.548,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14157, dn = +|- 0.0173948, dEa = +|- 0.0946619 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 144.869 kJ/mol + +F 0.637124 0.046018 0.851408 +H -1.012463 0.856211 -0.131406 +F -1.065083 -1.097492 -0.17537 +H 1.714192 0.852105 -1.096544 +H 2.538783 0.028743 0.290457 +H 1.68179 -0.951025 -0.97474 +C -0.367715 0.019111 -0.429368 +C 1.742722 -0.01056 -0.451048 +""", +) + +entry( + index = 46, + label = "CHF_r1 + CH3Cl-3 <=> C2H4ClF-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(17.8425,'cm^3/(mol*s)'), n=3.22746, Ea=(130.179,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.10739, dn = +|- 0.0134011, dEa = +|- 0.0729283 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 139.785 kJ/mol + +Cl -0.988935 -0.73972 0.007959 +F 1.388023 -0.044821 -1.098706 +H 1.193095 -0.131316 0.854906 +H -0.858706 1.841286 -0.935807 +H -2.260688 1.223335 0.026484 +H -0.818107 1.900438 0.876109 +C 0.773145 0.411898 -0.003865 +C -1.193308 1.40911 -0.00658 +""", +) + +entry( + index = 47, + label = "CF2_r1 + CH4 <=> C2H4F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.000267207,'cm^3/(mol*s)'), n=4.72997, Ea=(129.265,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.00906, dn = +|- 0.144732, dEa = +|- 0.787625 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 153.464 kJ/mol + +H 0.441606 -0.239005 0.598734 +F -0.591304 -0.614218 -1.227686 +F -0.490175 1.38018 -0.427886 +H 2.022439 -1.020489 -0.099551 +H 1.61781 0.398106 -1.142301 +H 2.106911 0.669546 0.575416 +C -0.408388 0.090654 -0.115718 +C 1.641711 -0.004263 -0.137797 +""", +) + +entry( + index = 48, + label = "CF2_r1 + H2O <=> CH2F2O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.52789e-06,'cm^3/(mol*s)'), n=5.02686, Ea=(72.5674,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.96429, dn = +|- 0.180953, dEa = +|- 0.98474 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 103.723 kJ/mol + +F 0.771481 -1.056488 -0.052798 +F 0.65349 1.042089 -0.285 +C 0.185362 0.01667 0.389916 +O -1.48358 -0.172316 -0.244125 +H -1.000445 0.018846 0.844749 +H -1.727239 0.690888 -0.605771 +""", +) + +entry( + index = 49, + label = "CHF_r1 + CH4 <=> C2H5F", + degeneracy = 4.0, + kinetics = Arrhenius(A=(111.983,'cm^3/(mol*s)'), n=3.10993, Ea=(26.3876,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0698, dn = +|- 0.00886387, dEa = +|- 0.0482369 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 38.444 kJ/mol + +H 0.765696 0.255978 0.864815 +H -0.537434 -0.933964 0.10096 +F -0.928359 0.952914 -0.270049 +H 1.938071 -1.005509 0.074224 +H 1.261692 0.21915 -1.069208 +H 2.308902 0.745727 0.285865 +C -0.470397 0.038808 0.608346 +C 1.58449 0.010175 -0.058755 +""", +) + +entry( + index = 50, + label = "CF2_r1 + CH3F <=> C2H3F3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.6158,'cm^3/(mol*s)'), n=3.54561, Ea=(195.225,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.20788, dn = +|- 0.0248129, dEa = +|- 0.135031 kJ/mol"""), + rank = 3, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 205.134 kJ/mol + +F 0.23109 -0.011075 -1.121739 +F 1.870875 1.063806 0.005076 +F 1.874336 -1.048293 0.034849 +H -0.979425 0.922048 0.725225 +H -1.704603 -0.004539 -0.658058 +H -0.978849 -0.890455 0.751312 +C 1.109625 0.009585 0.240378 +C -0.985158 0.007412 0.154467 +""", +) + +entry( + index = 51, + label = "CHF_r1 + H2O <=> CH3FO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9.34896,'cm^3/(mol*s)'), n=3.15288, Ea=(2.84581,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0433, dn = +|- 0.00556916, dEa = +|- 0.0303072 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 19.372 kJ/mol + +H 0.74012 -0.790596 -0.045987 +F 0.62736 1.16595 -0.09184 +C 0.281806 0.027063 0.513377 +O -1.425142 -0.253122 -0.065619 +H -0.995621 -0.078024 0.948873 +H -1.699203 0.6171 -0.384374 +""", +) + +entry( + index = 52, + label = "CF2_r1 + CH3Cl-3 <=> C2H3ClF2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.42311,'cm^3/(mol*s)'), n=3.42841, Ea=(214.884,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.17954, dn = +|- 0.0216936, dEa = +|- 0.118056 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 222.631 kJ/mol + +Cl 0.417331 0.019598 -1.842081 +F 2.145051 1.130018 -0.012663 +F 2.188692 -0.973624 0.012831 +H -0.689768 0.937585 0.674142 +H -1.557579 -0.005315 -0.600844 +H -0.652749 -0.881779 0.695608 +C 1.398343 0.063896 0.1357 +C -0.744462 0.019641 0.110756 +""", +) + +entry( + index = 53, + label = "CHF_r1 + C2H6 <=> C3H7F-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.7066,'cm^3/(mol*s)'), n=3.19155, Ea=(216.984,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08847, dn = +|- 0.0111371, dEa = +|- 0.0606078 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 228.586 kJ/mol + +C -0.644246 -0.043312 -0.088057 +F 1.715548 -0.702246 -0.482367 +H 0.989542 -0.361591 1.334637 +H 0.877781 1.963655 -0.790798 +H -0.787353 1.975547 -0.238985 +H 0.485569 2.104716 0.946103 +C 1.384228 0.200187 0.476699 +C 0.226497 1.628584 0.007684 +H -0.930332 0.129831 -1.118879 +H -1.450398 0.170656 0.604405 +H -0.328167 -1.074417 0.000369 +""", +) + +entry( + index = 54, + label = "CF2_r1 + C2H6 <=> C3H6F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.222791,'cm^3/(mol*s)'), n=3.59921, Ea=(320.496,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.26384, dn = +|- 0.0307635, dEa = +|- 0.167414 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 332.008 kJ/mol + +C -0.695038 -0.080264 -0.119021 +F 1.66398 -0.643084 -0.51829 +F 1.066759 -0.486589 1.54559 +H 0.945151 2.01382 -0.733224 +H -0.752053 1.947025 -0.291092 +H 0.450849 2.144078 0.971957 +C 1.305838 0.231499 0.436189 +C 0.261066 1.650533 0.025447 +H -0.964565 0.081354 -1.15545 +H -1.466846 0.212255 0.582107 +H -0.37114 -1.100917 0.051497 +""", +) + +entry( + index = 55, + label = "CHF_r1 + CH4O <=> C2H5FO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.212553,'cm^3/(mol*s)'), n=3.34134, Ea=(111.339,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.16803, dn = +|- 0.0204062, dEa = +|- 0.11105 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 125.610 kJ/mol + +O -0.522371 -0.629543 -0.714935 +F 0.602106 1.257353 -0.130333 +H 1.269877 -0.531067 0.378677 +H -1.639961 1.036518 0.711935 +H -2.507672 -0.116727 -0.367966 +H -1.838322 -0.690112 1.207707 +C 0.310205 -0.003851 0.384962 +C -1.73265 0.007182 0.393401 +H -0.363812 -0.165564 -1.559169 +""", +) + +entry( + index = 56, + label = "CF2_r1 + CH4O <=> C2H4F2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.140908,'cm^3/(mol*s)'), n=3.45227, Ea=(176.699,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.12809, dn = +|- 0.0158346, dEa = +|- 0.0861712 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 188.137 kJ/mol + +O -0.766409 0.573579 -0.541623 +F 0.731944 0.389058 1.088694 +F 1.378619 0.096046 -0.932617 +H -1.229825 -1.118235 1.232347 +H -2.511508 -0.281334 0.264719 +H -1.554748 -1.634428 -0.475748 +C 0.376699 -0.228909 -0.088206 +C -1.578529 -0.838557 0.249451 +H -0.737404 1.473838 -0.150497 +""", +) + +entry( + index = 57, + label = "CH2 + CH4O <=> C2H6O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(12.6474,'cm^3/(mol*s)'), n=2.95311, Ea=(59.8071,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06041, dn = +|- 0.00770604, dEa = +|- 0.041936 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 74.961 kJ/mol + +O -0.519683 -0.589358 -0.721104 +H 0.655886 1.014894 0.030108 +H 1.195239 -0.605699 0.525624 +H -1.701431 1.010338 0.761819 +H -2.501597 -0.135131 -0.367411 +H -1.789645 -0.731388 1.177948 +C 0.327162 0.043884 0.404395 +C -1.715083 -0.003579 0.387764 +H -0.430129 -0.129371 -1.569553 +""", +) + +entry( + index = 58, + label = "CH2 + C2H6 <=> C3H8", + degeneracy = 1.0, + kinetics = Arrhenius(A=(166.864,'cm^3/(mol*s)'), n=2.82973, Ea=(154.574,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02266, dn = +|- 0.00294339, dEa = +|- 0.0160178 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 166.986 kJ/mol + +C -0.621512 -0.005564 -0.083209 +H 1.577964 -0.536165 -0.330681 +H 1.092178 -0.378813 1.367612 +H 0.90271 1.926672 -0.757861 +H -0.78407 2.006359 -0.316048 +H 0.413832 2.084953 0.950966 +C 1.433109 0.177929 0.487625 +C 0.194329 1.619903 -0.000424 +H -0.936603 0.084465 -1.116766 +H -1.427155 0.243513 0.598362 +H -0.346823 -1.032411 0.090493 +""", +) + +entry( + index = 59, + label = "CBr2 + H2O <=> CH2Br2O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00335251,'cm^3/(mol*s)'), n=4.20006, Ea=(44.8276,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.81103, dn = +|- 0.078026, dEa = +|- 0.424615 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 67.126 kJ/mol + +Br 1.082417 -1.484033 -0.390486 +Br 0.760079 1.662848 -0.291732 +C 0.217249 -0.018504 0.430195 +O -1.485478 -0.200763 -0.087358 +H -1.001636 -0.133294 0.944338 +H -1.772291 0.691175 -0.330237 +""", +) + +entry( + index = 60, + label = "CBr2 + CH4 <=> C2H4Br2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.19874,'cm^3/(mol*s)'), n=3.52855, Ea=(62.1777,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0862, dn = +|- 0.0108628, dEa = +|- 0.0591152 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 74.539 kJ/mol + +H 0.751426 0.002547 0.863152 +Br -0.959216 -1.556469 -0.399241 +Br -0.902782 1.626676 -0.392919 +H 2.149728 -0.934862 0.210123 +H 1.353506 -0.007995 -1.122751 +H 2.179225 0.89546 0.20832 +C -0.426145 0.024243 0.539774 +C 1.660376 -0.01185 -0.088449 +""", +) + +entry( + index = 61, + label = "CCl2 + CH4 <=> C2H4Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.33592,'cm^3/(mol*s)'), n=3.60759, Ea=(71.667,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14661, dn = +|- 0.0179743, dEa = +|- 0.0978154 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 85.075 kJ/mol + +H 0.726944 0.004526 0.862801 +Cl -0.91109 -1.412889 -0.367983 +Cl -0.861917 1.4788 -0.365574 +H 2.134674 -0.935548 0.202243 +H 1.336141 -0.004036 -1.126742 +H 2.168298 0.893586 0.204938 +C -0.432773 0.024568 0.500971 +C 1.645844 -0.011258 -0.092644 +""", +) + +entry( + index = 62, + label = "CCl2 + H2O <=> CH2Cl2O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00446709,'cm^3/(mol*s)'), n=4.16722, Ea=(48.7822,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.78868, dn = +|- 0.0763947, dEa = +|- 0.415737 kJ/mol"""), + rank = 7, + shortDesc = """M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Calculated with Gaussian 16 using M062X with D3 dispersion and jun-cc-pVTZ basis set +barrier = 71.077 kJ/mol + +Cl 1.027404 -1.340558 -0.354291 +Cl 0.736082 1.511108 -0.269505 +C 0.25061 -0.012243 0.407489 +O -1.48699 -0.201823 -0.100577 +H -0.951324 -0.131807 0.920361 +H -1.775441 0.692753 -0.328757 +""", +) + diff --git a/input/kinetics/families/1,3_Insertion_ROR/groups.py b/input/kinetics/families/1,3_Insertion_ROR/groups.py index b6348c274c..32722db271 100644 --- a/input/kinetics/families/1,3_Insertion_ROR/groups.py +++ b/input/kinetics/families/1,3_Insertion_ROR/groups.py @@ -1204,8 +1204,8 @@ group = """ 1 *4 O2s u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 [H,Cs,Cd,Sis,Sid,N] u0 {1,S} +2 *3 [H,Val7] u0 {1,S} +3 [H,Val7,Cs,Cd,Sis,Sid,N] u0 {1,S} """, kinetics = None, ) @@ -1216,8 +1216,8 @@ group = """ 1 *4 O2s u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} +2 *3 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) diff --git a/input/kinetics/families/Birad_R_Recombination/groups.py b/input/kinetics/families/Birad_R_Recombination/groups.py index 10073461f9..aeb6891572 100644 --- a/input/kinetics/families/Birad_R_Recombination/groups.py +++ b/input/kinetics/families/Birad_R_Recombination/groups.py @@ -34,17 +34,17 @@ label = "Birad", group = """ -1 *2 R!H u2 +1 *2 R!H!Val7 u2 """, kinetics = None, ) entry( index = 2, - label = "H_rad", + label = "H/Val7_rad", group = """ -1 *1 H u1 +1 *1 [H,Val7] u1 """, kinetics = None, ) @@ -876,10 +876,32 @@ kinetics = None, ) +entry( + index = 71, + label = "Val7_rad", + group = +""" +1 *1 Val7 u1 +""", + kinetics = None, +) + +entry( + index = 72, + label = "Hrad", + group = +""" +1 *1 H u1 +""", + kinetics = None, +) + tree( """ L1: Y_rad - L2: H_rad + L2: H/Val7_rad + L3: Val7_rad + L3: Hrad L2: Ct_rad L2: O_rad L3: O_pri_rad diff --git a/input/kinetics/families/CO_Disproportionation/groups.py b/input/kinetics/families/CO_Disproportionation/groups.py index a17136c5a9..f597d4aaf5 100644 --- a/input/kinetics/families/CO_Disproportionation/groups.py +++ b/input/kinetics/families/CO_Disproportionation/groups.py @@ -2,8 +2,8 @@ # encoding: utf-8 name = "CO_Disproportionation/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ This family describes reactions of the sort: Y_rad + [CH]=O <=> Y_H + [C-]#[O+] @@ -14,11 +14,17 @@ R_rad(*1) + H(*4)C_rad(*3)=O(*2) <=> R(*1)H(*4) + [C-](*3)#[O+](*2) """ -template(reactants=["Y_rad_birad_trirad_quadrad", "HCO_HCS"], products=["Y_H", "CO_CS"], ownReverse=False) +template(reactants=["Root"], products=["Y_H", "CO_CS"], ownReverse=False) reverse = "CO_Addition" - reversible = True + +reactantNum = 2 + +productNum = 2 + +autoGenerated = True + recipe(actions=[ ['FORM_BOND', '*1', 1, '*4'], ['BREAK_BOND', '*3', 1, '*4'], @@ -31,1527 +37,834 @@ entry( index = 0, - label = "Y_rad_birad_trirad_quadrad", - group = "OR{Y_1centerquadrad, Y_1centertrirad, Y_2centerbirad, Y_1centerbirad, Y_rad}", + label = "Root", + group = +""" +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 {1,S} +3 *2 [O,S2d] u0 p2 c0 {1,D} +4 *1 R u[1,2,3,4] +""", kinetics = None, ) entry( index = 1, - label = "HCO_HCS", + label = "Root_4R->F", group = """ -1 *3 C u1 p0 c0 {2,S} {3,D} -2 *4 H u0 p0 c0 {1,S} -3 *2 [O,S2d] u0 p2 c0 {1,D} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 F u1 """, kinetics = None, ) entry( index = 2, - label = "Y_1centerquadrad", - group = "OR{C_quintet, C_triplet}", + label = "Root_4R->F_2Br1sCl1sF1sHI1s->F1s", + group = +""" +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 F1s u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 F u1 +""", kinetics = None, ) entry( index = 3, - label = "C_quintet", + label = "Root_4R->F_N-2Br1sCl1sF1sHI1s->F1s", group = """ -1 *1 C u4 p0 +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [Cl1s,H] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 F u1 """, kinetics = None, ) entry( index = 4, - label = "C_triplet", + label = "Root_N-4R->F", group = """ -1 *1 C u2 p1 +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 {1,S} +3 *2 [O,S2d] u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] """, kinetics = None, ) entry( index = 5, - label = "Y_1centertrirad", - group = "OR{N_atom_quartet, N_atom_doublet, CH_quartet, CH_doublet}", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R", + group = +""" +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 {1,S} +3 *2 [O,S2d] u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", kinetics = None, ) entry( index = 6, - label = "N_atom_quartet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_2Br1sCl1sF1sHI1s->Cl1s", group = """ -1 *1 N u3 p1 +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 Cl1s u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u1 r0 {5,[S,D,T,B,Q]} +5 R!H ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 7, - label = "N_atom_doublet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s", group = """ -1 *1 N u1 p2 +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [F1s,H] u0 p[0,3] c0 {1,S} +3 *2 [O,S2d] u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 8, - label = "CH_quartet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R", group = """ -1 *1 C u3 p0 {2,S} -2 H u0 p0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 9, - label = "CH_doublet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_6R!H->C", group = """ -1 *1 C u1 p1 {2,S} -2 H u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u1 r0 {5,S} +5 R!H u0 r0 {4,S} {6,[S,D,T,B,Q]} +6 C u0 r0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 10, - label = "Y_2centerbirad", - group = "OR{O2b, C2b, S2b}", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C", + group = +""" +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [O,Si,S,N,P,F,I,Br,Cl] ux {5,[S,D,T,B,Q]} +""", kinetics = None, ) entry( index = 11, - label = "O2b", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_4BrCClHINOPSSi->C", group = """ -1 *1 O u1 {2,S} -2 O u1 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [O,Si,S,N,P,F,I,Br,Cl] ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 12, - label = "C2b", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_N-4BrCClHINOPSSi->C", group = """ -1 *1 C u1 {2,T} -2 C u1 {1,T} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [O,Si,S,N,P,F,I,Br,Cl] ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 13, - label = "S2b", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C", group = """ -1 *1 S u1 {2,S} -2 S u1 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 14, - label = "Y_1centerbirad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Ext-4BrCClHINOPSSi-R", group = """ -1 *1 R!H u2 +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u1 r0 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 15, - label = "CO_birad_triplet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi", group = """ -1 *1 C u2 {2,D} -2 O2d u0 {1,D} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u1 {5,S} +5 C u0 {4,S} """, kinetics = None, ) entry( index = 16, - label = "O_atom_triplet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_4BrCClHINOPSSi->C", group = """ -1 *1 O u2 +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 C u1 r0 {5,S} +5 C u0 r0 {4,S} """, kinetics = None, ) entry( index = 17, - label = "CS_birad_triplet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_N-4BrCClHINOPSSi->C", group = """ -1 *1 C u2 {2,D} -2 S2d u0 {1,D} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 O u1 r0 {5,S} +5 C u0 r0 {4,S} """, kinetics = None, ) entry( index = 18, - label = "S_atom_triplet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_N-Sp-5C-4BrCClHINOPSSi", group = """ -1 *1 S2s u2 p2 +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,D} +5 C ux {4,D} """, kinetics = None, ) entry( index = 19, - label = "CH2_triplet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C", group = """ -1 *1 C u2 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [F1s,H] u0 p[0,3] c0 {1,S} +3 *2 [O,S2d] u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [O,N,F,Br,Cl] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 20, - label = "NH_triplet", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F", group = """ -1 *1 N3s u2 {2,S} -2 H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [F1s,H] u0 p[0,3] c0 {1,S} +3 *2 [O,S2d] u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 21, - label = "Y_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_2F1sH->F1s", group = """ -1 *1 R u1 +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 F1s u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 C u[1,2,3,4] {5,S} +5 F u0 {4,S} """, kinetics = None, ) entry( index = 22, - label = "H_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s", group = """ -1 *1 H u1 +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 [O,S2d] u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 23, - label = "Ct_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R", group = """ -1 *1 Ct u1 {2,T} -2 R!H u0 {1,T} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 24, - label = "Ct_rad/Ct", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_6R!H->Cl", group = """ -1 *1 Ct u1 {2,T} -2 Ct u0 {1,T} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 C u[1,2,3,4] {5,S} {6,S} +5 F u0 {4,S} +6 Cl u0 r0 {4,S} """, kinetics = None, ) entry( index = 25, - label = "Ct_rad/Nt", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl", group = """ -1 *1 Ct u1 {2,T} -2 [N3t,N5tc] u0 {1,T} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 C u1 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 26, - label = "O_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl_Ext-4BrCClHINOPSSi-R", group = """ -1 *1 O u1 {2,S} -2 R u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 C u1 r0 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux r0 {4,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 27, - label = "O_pri_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F", group = """ -1 *1 O u1 {2,S} -2 H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [O,Cl,Br] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 28, - label = "O_sec_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_5BrClO->Br", group = """ -1 *1 O u1 {2,S} -2 R!H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 Br ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 29, - label = "O_rad/NonDeC", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br", group = """ -1 *1 O u1 {2,S} -2 Cs u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,O,H,Si,S,N,P,I,Br,Cl] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [O,Cl] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 30, - label = "O_rad/NonDeO", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O", group = """ -1 *1 O u1 {2,S} -2 O u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u[1,2,3,4] {5,S} +5 [O,Cl] ux {4,S} """, kinetics = None, ) entry( index = 31, - label = "O_rad/NonDeN", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_5ClO->O", group = """ -1 *1 O u1 {2,S} -2 N3s u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u[1,2,3,4] {5,S} +5 O ux {4,S} """, kinetics = None, ) entry( index = 32, - label = "O_rad/OneDe", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_N-5ClO->O", group = """ -1 *1 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u[1,2,3,4] {5,S} +5 Cl ux {4,S} """, kinetics = None, ) entry( index = 33, - label = "S_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O", group = """ -1 *1 S u1 {2,S} -2 R u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,N] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 34, - label = "S_pri_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C", group = """ -1 *1 S u1 {2,S} -2 H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 C u1 {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 35, - label = "S_sec_rad", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_Sp-5ClO-4C", group = """ -1 *1 S u1 {2,S} -2 R!H u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 C u1 r0 {5,S} +5 O ux r0 {4,S} """, kinetics = None, ) entry( index = 36, - label = "S_rad/NonDeC", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_N-Sp-5ClO-4C", group = """ -1 *1 S u1 {2,S} -2 Cs u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 C u1 r0 {5,D} +5 O ux r0 {4,D} """, kinetics = None, ) entry( index = 37, - label = "S_rad/NonDeS", + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_N-4CN->C", group = """ -1 *1 S u1 {2,S} -2 S u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 N u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 38, - label = "S_rad/OneDe", + label = "Root_N-4R->F_4BrCClHINOPSSi->O", group = """ -1 *1 S u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u[1,2,3,4] """, kinetics = None, ) entry( index = 39, - label = "Cd_rad", + label = "Root_N-4R->F_4BrCClHINOPSSi->O_4O-u1", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 R u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 O u1 r0 """, kinetics = None, ) entry( index = 40, - label = "Cd_pri_rad", + label = "Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u2 """, kinetics = None, ) entry( index = 41, - label = "Cd_sec_rad", + label = "Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_2Br1sCl1sF1sHI1s->Cl1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 R!H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 Cl1s u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u2 """, kinetics = None, ) entry( index = 42, - label = "Cd_rad/NonDeC", + label = "Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_N-2Br1sCl1sF1sHI1s->Cl1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 Cs u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 O u2 """, kinetics = None, ) entry( index = 43, - label = "Cd_rad/NonDeN", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 N3s u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [H,F1s,Cl1s,Br1s,I1s] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,H,N,Br,Cl] u[1,2,3,4] """, kinetics = None, ) entry( index = 44, - label = "Cd_rad/NonDeO", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_2Br1sCl1sF1sHI1s->F1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 O u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 F1s u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 [C,H,N,Br,Cl] u1 r0 """, kinetics = None, ) entry( index = 45, - label = "Cd_rad/NonDeS", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 S u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [Cl1s,H] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [C,H,N,Br,Cl] u[1,2,3,4] """, kinetics = None, ) entry( index = 46, - label = "Cd_rad/OneDe", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_4BrCClHN->C", group = """ -1 *1 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [Cl1s,H] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 47, - label = "Cb_rad", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C", group = """ -1 *1 Cb u1 {2,B} {3,B} -2 [Cb,Cbf] u0 {1,B} -3 [Cb,Cbf] u0 {1,B} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [Cl1s,H] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [Cl,H,Br] u[1,2,3,4] """, kinetics = None, ) entry( index = 48, - label = "CO_rad", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H", group = """ -1 *1 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 R u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [Cl1s,H] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 H u[1,2,3,4] """, kinetics = None, ) entry( index = 49, - label = "CO_pri_rad", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_2Cl1sH->Cl1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 Cl1s u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 H u[1,2,3,4] """, kinetics = None, ) entry( index = 50, - label = "CO_sec_rad", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_N-2Cl1sH->Cl1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 R!H u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 H u[1,2,3,4] """, kinetics = None, ) entry( index = 51, - label = "CO_rad/NonDe", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H", group = """ -1 *1 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 [Cs,O,S] u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 [Cl1s,H] u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [Cl,Br] u1 """, kinetics = None, ) entry( index = 52, - label = "CO_rad/OneDe", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_2Cl1sH->Cl1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 Cl1s u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 Cl u1 r0 """, kinetics = None, ) entry( index = 53, - label = "CS_rad", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s", group = """ -1 *1 C u1 {2,D} {3,S} -2 S2d u0 {1,D} -3 R u0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 {1,S} +3 *2 O u0 p2 c0 {1,D} +4 *1 [Cl,Br] u1 """, kinetics = None, ) entry( index = 54, - label = "CS_pri_rad", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_4BrCl->Cl", group = """ -1 *1 C u1 {2,D} {3,S} -2 S2d u0 {1,D} -3 H u0 {1,S} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 Cl u1 r0 """, kinetics = None, ) entry( index = 55, - label = "CS_sec_rad", - group = -""" -1 *1 C u1 {2,D} {3,S} -2 S2d u0 {1,D} -3 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 56, - label = "CS_rad/NonDe", - group = -""" -1 *1 C u1 {2,D} {3,S} -2 S2d u0 {1,D} -3 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 57, - label = "CS_rad/OneDe", - group = -""" -1 *1 C u1 {2,D} {3,S} -2 S2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 58, - label = "Cs_rad", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 R u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 59, - label = "C_methyl", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 60, - label = "C_pri_rad", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 61, - label = "C_rad/H2/Cs", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 62, - label = "C_rad/H2/Cd", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cd u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 63, - label = "C_rad/H2/Ct", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 64, - label = "C_rad/H2/Cb", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 65, - label = "C_rad/H2/CO", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 CO u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 66, - label = "C_rad/H2/O", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 67, - label = "C_rad/H2/CS", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 CS u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 68, - label = "C_rad/H2/S", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 69, - label = "C_rad/H2/N", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 N u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 70, - label = "C_sec_rad", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 71, - label = "C_rad/H/NonDeC", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 72, - label = "C_rad/H/NonDeO", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 O u0 {1,S} -4 [Cs,O] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 73, - label = "C_rad/H/CsO", + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_N-4BrCl->Cl", group = """ -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 74, - label = "C_rad/H/O2", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 O u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 75, - label = "C_rad/H/NonDeN", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 N u0 {1,S} -4 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 76, - label = "C_rad/H/NonDeS", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 [Cs,S,O] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 77, - label = "C_rad/H/CsS", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 78, - label = "C_rad/H/S2", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 S u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 79, - label = "C_rad/H/SO", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 80, - label = "C_rad/H/OneDe", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S,N] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 81, - label = "C_rad/H/OneDeC", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 82, - label = "C_rad/H/OneDeO", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 83, - label = "C_rad/H/OneDeN", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 N u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 84, - label = "C_rad/H/TwoDe", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 85, - label = "C_ter_rad", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 R!H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 86, - label = "C_rad/NonDeC", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cs,O,S] u0 {1,S} -3 [Cs,O,S] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 87, - label = "C_rad/Cs3", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 88, - label = "C_rad/NDMustO", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 O u0 {1,S} -3 [Cs,O,S] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 89, - label = "C_rad/OneDe", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cs,O,S] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 90, - label = "C_rad/Cs2", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 91, - label = "C_rad/ODMustO", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 O u0 {1,S} -4 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 92, - label = "C_rad/TwoDe", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 93, - label = "C_rad/Cs", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 94, - label = "C_rad/TDMustO", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 95, - label = "C_rad/ThreeDe", - group = -""" -1 *1 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 96, - label = "N3_rad", - group = -""" -1 *1 [N3s,N3d] u1 -""", - kinetics = None, -) - -entry( - index = 97, - label = "N3s_rad", - group = -""" -1 *1 N3s u1 -""", - kinetics = None, -) - -entry( - index = 98, - label = "NH2_rad", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 99, - label = "N3s_rad_pri", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 R!H u0 {1,S} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 100, - label = "N3s_rad/H/NonDe", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 [Cs,N3s,O2s] u0 {1,S} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 101, - label = "N3s_rad/H/NonDeC", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 Cs u0 {1,S} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 102, - label = "N3s_rad/H/NonDeO", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 O2s u0 {1,S} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 103, - label = "N3s_rad/H/NonDeN", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 N3s u0 {1,S} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 104, - label = "N3s_rad/H/OneDe", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,CS,N3d,N5dc] u0 {1,S} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 105, - label = "N3s_rad_sec", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 R!H u0 {1,S} -3 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 106, - label = "N3s_rad/NonDe2", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 [Cs,N3s,O2s] u0 {1,S} -3 [Cs,N3s,O2s] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 107, - label = "N3s_rad/OneDe", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,CS,N3d,N5dc] u0 {1,S} -3 [Cs,N3s,O2s] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 108, - label = "N3s_rad/TwoDe", - group = -""" -1 *1 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,CS,N3d,N5dc] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 109, - label = "N3d_rad", - group = -""" -1 *1 N3d u1 -""", - kinetics = None, -) - -entry( - index = 110, - label = "N3d_rad/C", - group = -""" -1 *1 N3d u1 {2,D} -2 C u0 {1,D} -""", - kinetics = None, -) - -entry( - index = 111, - label = "N3d_rad/O", - group = -""" -1 *1 N3d u1 {2,D} -2 O2d u0 {1,D} -""", - kinetics = None, -) - -entry( - index = 112, - label = "N3d_rad/N", - group = -""" -1 *1 N3d u1 {2,D} -2 N u0 {1,D} -""", - kinetics = None, -) - -entry( - index = 113, - label = "N3d_rad/S", - group = -""" -1 *1 N3d u1 {2,D} -2 S2d u0 {1,D} -""", - kinetics = None, -) - -entry( - index = 114, - label = "N5_rad", - group = -""" -1 *1 [N5sc,N5dc,N5tc,N5b] u1 -""", - kinetics = None, -) - -entry( - index = 115, - label = "N5s_rad", - group = -""" -1 *1 N5sc u1 p0 -""", - kinetics = None, -) - -entry( - index = 116, - label = "N5dc_rad", - group = -""" -1 *1 N5dc u1 p0 c+1 {2,D} {3,S} -2 R!H u0 c0 {1,D} -3 [C2sc,N1sc,O0sc,S0sc,S2sc,S2dc,S4dc,S4tdc,S6sc,S6dc,S6tdc] u0 c-1 {1,S} -""", - kinetics = None, -) - -entry( - index = 117, - label = "N5t_rad", - group = -""" -1 *1 N5tc u1 p0 {2,T} -2 R!H ux {1,T} -""", - kinetics = None, -) - -entry( - index = 118, - label = "HCO", - group = -""" -1 *3 C u1 p0 c0 {2,S} {3,D} -2 *4 H u0 p0 c0 {1,S} -3 *2 O u0 p2 c0 {1,D} -""", - kinetics = None, -) - -entry( - index = 119, - label = "HCS", - group = -""" -1 *3 C u1 p0 c0 {2,S} {3,D} -2 *4 H u0 p0 c0 {1,S} -3 *2 S2d u0 p2 c0 {1,D} +1 *3 C u1 p0 c0 r0 {2,S} {3,D} +2 *4 H u0 p[0,3] c0 r0 {1,S} +3 *2 O u0 p2 c0 r0 {1,D} +4 *1 Br u1 r0 """, kinetics = None, ) tree( """ -L1: Y_rad_birad_trirad_quadrad - L2: Y_1centerquadrad - L3: C_quintet - L3: C_triplet - L2: Y_1centertrirad - L3: N_atom_quartet - L3: N_atom_doublet - L3: CH_quartet - L3: CH_doublet - L2: Y_2centerbirad - L3: O2b - L3: C2b - L3: S2b - L2: Y_1centerbirad - L3: CO_birad_triplet - L3: O_atom_triplet - L3: CS_birad_triplet - L3: S_atom_triplet - L3: CH2_triplet - L3: NH_triplet - L2: Y_rad - L3: H_rad - L3: Ct_rad - L4: Ct_rad/Ct - L4: Ct_rad/Nt - L3: O_rad - L4: O_pri_rad - L4: O_sec_rad - L5: O_rad/NonDeC - L5: O_rad/NonDeO - L5: O_rad/NonDeN - L5: O_rad/OneDe - L3: S_rad - L4: S_pri_rad - L4: S_sec_rad - L5: S_rad/NonDeC - L5: S_rad/NonDeS - L5: S_rad/OneDe - L3: Cd_rad - L4: Cd_pri_rad - L4: Cd_sec_rad - L5: Cd_rad/NonDeC - L5: Cd_rad/NonDeN - L5: Cd_rad/NonDeO - L5: Cd_rad/NonDeS - L5: Cd_rad/OneDe - L3: Cb_rad - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: CS_rad - L4: CS_pri_rad - L4: CS_sec_rad - L5: CS_rad/NonDe - L5: CS_rad/OneDe - L3: Cs_rad - L4: C_methyl - L4: C_pri_rad - L5: C_rad/H2/Cs - L5: C_rad/H2/Cd - L5: C_rad/H2/Ct - L5: C_rad/H2/Cb - L5: C_rad/H2/CO - L5: C_rad/H2/O - L5: C_rad/H2/CS - L5: C_rad/H2/S - L5: C_rad/H2/N - L4: C_sec_rad - L5: C_rad/H/NonDeC - L5: C_rad/H/NonDeO - L6: C_rad/H/CsO - L6: C_rad/H/O2 - L5: C_rad/H/NonDeN - L5: C_rad/H/NonDeS - L6: C_rad/H/CsS - L6: C_rad/H/S2 - L6: C_rad/H/SO - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L6: C_rad/H/OneDeO - L6: C_rad/H/OneDeN - L5: C_rad/H/TwoDe - L4: C_ter_rad - L5: C_rad/NonDeC - L6: C_rad/Cs3 - L6: C_rad/NDMustO - L5: C_rad/OneDe - L6: C_rad/Cs2 - L6: C_rad/ODMustO - L5: C_rad/TwoDe - L6: C_rad/Cs - L6: C_rad/TDMustO - L5: C_rad/ThreeDe - L3: N3_rad - L4: N3s_rad - L5: NH2_rad - L5: N3s_rad_pri - L6: N3s_rad/H/NonDe - L7: N3s_rad/H/NonDeC - L7: N3s_rad/H/NonDeO - L7: N3s_rad/H/NonDeN - L6: N3s_rad/H/OneDe - L5: N3s_rad_sec - L6: N3s_rad/NonDe2 - L6: N3s_rad/OneDe - L6: N3s_rad/TwoDe - L4: N3d_rad - L5: N3d_rad/C - L5: N3d_rad/O - L5: N3d_rad/N - L5: N3d_rad/S - L3: N5_rad - L4: N5s_rad - L4: N5dc_rad - L4: N5t_rad -L1: HCO_HCS - L2: HCO - L2: HCS +L1: Root + L2: Root_4R->F + L3: Root_4R->F_2Br1sCl1sF1sHI1s->F1s + L3: Root_4R->F_N-2Br1sCl1sF1sHI1s->F1s + L2: Root_N-4R->F + L3: Root_N-4R->F_Ext-4BrCClHINOPSSi-R + L4: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_2Br1sCl1sF1sHI1s->Cl1s + L4: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s + L5: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R + L6: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_6R!H->C + L6: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_4BrCClHINOPSSi->C + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_N-4BrCClHINOPSSi->C + L5: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C + L6: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Ext-4BrCClHINOPSSi-R + L6: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_4BrCClHINOPSSi->C + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_N-4BrCClHINOPSSi->C + L6: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_N-Sp-5C-4BrCClHINOPSSi + L5: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C + L6: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_2F1sH->F1s + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s + L8: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R + L9: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_6R!H->Cl + L9: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl + L10: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl_Ext-4BrCClHINOPSSi-R + L6: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_5BrClO->Br + L7: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br + L8: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O + L9: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_5ClO->O + L9: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_N-5ClO->O + L8: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O + L9: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C + L10: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_Sp-5ClO-4C + L10: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_N-Sp-5ClO-4C + L9: Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_N-4CN->C + L3: Root_N-4R->F_4BrCClHINOPSSi->O + L4: Root_N-4R->F_4BrCClHINOPSSi->O_4O-u1 + L4: Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1 + L5: Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_2Br1sCl1sF1sHI1s->Cl1s + L5: Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_N-2Br1sCl1sF1sHI1s->Cl1s + L3: Root_N-4R->F_N-4BrCClHINOPSSi->O + L4: Root_N-4R->F_N-4BrCClHINOPSSi->O_2Br1sCl1sF1sHI1s->F1s + L4: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s + L5: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_4BrCClHN->C + L5: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C + L6: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H + L7: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_2Cl1sH->Cl1s + L7: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_N-2Cl1sH->Cl1s + L6: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H + L7: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_2Cl1sH->Cl1s + L7: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s + L8: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_4BrCl->Cl + L8: Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_N-4BrCl->Cl """ ) @@ -1562,9 +875,9 @@ 1 *2 O u0 {2,D} 2 *3 O u0 {1,D} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -1577,9 +890,9 @@ 2 *2 R!H ux {1,[S,D,T]} {3,S} 3 *4 H u0 {2,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -1592,9 +905,9 @@ 2 *3 O u1 {1,S} 3 *4 H u0 {1,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -1607,9 +920,9 @@ 2 *2 R!H ux {1,[S,D]} {3,S} 3 *4 H u0 {2,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -1622,9 +935,9 @@ 2 *2 R!H ux {1,[S,D,T]} {3,S} 3 *4 H u0 {2,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -1637,9 +950,9 @@ 2 *2 R!H ux {1,[S,D,T]} {3,S} 3 *4 H u0 {2,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) diff --git a/input/kinetics/families/CO_Disproportionation/rules.py b/input/kinetics/families/CO_Disproportionation/rules.py index 6852fc3342..1ab07a5b94 100644 --- a/input/kinetics/families/CO_Disproportionation/rules.py +++ b/input/kinetics/families/CO_Disproportionation/rules.py @@ -2,22 +2,847 @@ # encoding: utf-8 name = "CO_Disproportionation/rules" -shortDesc = u"" -longDesc = u""" - -""" -entry( - index = 485, - label = "Y_rad_birad_trirad_quadrad;HCO_HCS", - kinetics = ArrheniusEP( - A = (3e+11, 'cm^3/(mol*s)'), - n = 0, - alpha = 0, - E0 = (0, 'kcal/mol'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), - rank = 0, - shortDesc = u"""Default""", +shortDesc = "" +longDesc = """ + +""" +entry( + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(2.33361e+08,'m^3/(mol*s)'), n=-0.309595, w0=(538.545,'kJ/mol'), E0=(51.3789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05864831349114651, var=1.6783203272344693, Tref=1000.0, N=33, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 33 training reactions at node Root + Total Standard Deviation in ln(k): 2.7444919241085404"""), + rank = 11, + shortDesc = """BM rule fitted to 33 training reactions at node Root +Total Standard Deviation in ln(k): 2.7444919241085404""", + longDesc = +""" +BM rule fitted to 33 training reactions at node Root +Total Standard Deviation in ln(k): 2.7444919241085404 +""", +) + +entry( + index = 2, + label = "Root_4R->F", + kinetics = ArrheniusBM(A=(1.08671e+13,'m^3/(mol*s)'), n=-2.00013, w0=(540.5,'kJ/mol'), E0=(84.1736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.649709551522148, var=0.15840278009985914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->F',), comment="""BM rule fitted to 2 training reactions at node Root_4R->F + Total Standard Deviation in ln(k): 9.968005989776463"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->F +Total Standard Deviation in ln(k): 9.968005989776463""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_4R->F +Total Standard Deviation in ln(k): 9.968005989776463 +""", +) + +entry( + index = 3, + label = "Root_4R->F_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(2.56076e+06,'m^3/(mol*s)'), n=-0.37188, w0=(456.5,'kJ/mol'), E0=(52.9398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->F_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node Root_4R->F_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->F_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_4R->F_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4, + label = "Root_4R->F_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=-8.59568e-09, w0=(624.5,'kJ/mol'), E0=(114.655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->F_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node Root_4R->F_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->F_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_4R->F_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5, + label = "Root_N-4R->F", + kinetics = ArrheniusBM(A=(2.33024e+08,'m^3/(mol*s)'), n=-0.309399, w0=(538.419,'kJ/mol'), E0=(51.3644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05856825840630382, var=1.6788781475150028, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-4R->F',), comment="""BM rule fitted to 31 training reactions at node Root_N-4R->F + Total Standard Deviation in ln(k): 2.744722347237623"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-4R->F +Total Standard Deviation in ln(k): 2.744722347237623""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-4R->F +Total Standard Deviation in ln(k): 2.744722347237623 +""", +) + +entry( + index = 6, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.75239e+08,'m^3/(mol*s)'), n=-0.314126, w0=(552.375,'kJ/mol'), E0=(46.5938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010652616159008355, var=1.725812679743883, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 2.660389645633036"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 2.660389645633036""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 2.660389645633036 +""", +) + +entry( + index = 7, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_2Br1sCl1sF1sHI1s->Cl1s", + kinetics = ArrheniusBM(A=(1.5e+06,'m^3/(mol*s)'), n=2.69671e-08, w0=(463.5,'kJ/mol'), E0=(99.9016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_2Br1sCl1sF1sHI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_2Br1sCl1sF1sHI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 8, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s", + kinetics = ArrheniusBM(A=(1.75359e+08,'m^3/(mol*s)'), n=-0.314203, w0=(557.053,'kJ/mol'), E0=(46.6117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010595416104297059, var=1.7254871020785956, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s',), comment="""BM rule fitted to 19 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s + Total Standard Deviation in ln(k): 2.659997496207455"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 2.659997496207455""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 2.659997496207455 +""", +) + +entry( + index = 9, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.47741e+17,'m^3/(mol*s)'), n=-3.53908, w0=(555.5,'kJ/mol'), E0=(94.7032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6550614866404488, var=2.25204580030794, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.654352533618259"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.654352533618259""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.654352533618259 +""", +) + +entry( + index = 10, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_6R!H->C", + kinetics = ArrheniusBM(A=(6e+07,'m^3/(mol*s)'), n=-6.14542e-09, w0=(547.5,'kJ/mol'), E0=(83.1557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 11, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.15372e+17,'m^3/(mol*s)'), n=-3.28099, w0=(559.5,'kJ/mol'), E0=(90.3331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.5684434627638923, var=12.28832750633438, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C + Total Standard Deviation in ln(k): 13.480916375343327"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 13.480916375343327""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 13.480916375343327 +""", +) + +entry( + index = 12, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_4BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(2e+06,'m^3/(mol*s)'), n=-9.63322e-09, w0=(547.5,'kJ/mol'), E0=(96.3337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_4BrCClHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_4BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 13, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_N-4BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(1.24e+17,'m^3/(mol*s)'), n=-3.29, w0=(571.5,'kJ/mol'), E0=(90.5728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_N-4BrCClHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_N-4BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_N-4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_Ext-5R!H-R_N-6R!H->C_N-4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 14, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C", + kinetics = ArrheniusBM(A=(7.92257e+07,'m^3/(mol*s)'), n=-0.00236169, w0=(553.5,'kJ/mol'), E0=(93.7216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0031797954615440265, var=1.0712626414179376, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C + Total Standard Deviation in ln(k): 2.082926695239342"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C +Total Standard Deviation in ln(k): 2.082926695239342""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C +Total Standard Deviation in ln(k): 2.082926695239342 +""", +) + +entry( + index = 15, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Ext-4BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.2e+08,'m^3/(mol*s)'), n=-1.49446e-08, w0=(547.5,'kJ/mol'), E0=(80.4398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Ext-4BrCClHINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Ext-4BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 16, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi", + kinetics = ArrheniusBM(A=(6.45242e+07,'m^3/(mol*s)'), n=0.00464431, w0=(559.5,'kJ/mol'), E0=(93.7216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7580366833041802e-09, var=1.100942056497115, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi + Total Standard Deviation in ln(k): 2.103484041328291"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi +Total Standard Deviation in ln(k): 2.103484041328291""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi +Total Standard Deviation in ln(k): 2.103484041328291 +""", +) + +entry( + index = 17, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_4BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(4.3e+07,'m^3/(mol*s)'), n=7.322e-09, w0=(547.5,'kJ/mol'), E0=(82.6965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_4BrCClHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_4BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 18, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_N-4BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(9.03e+07,'m^3/(mol*s)'), n=-2.02476e-08, w0=(571.5,'kJ/mol'), E0=(86.6954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_N-4BrCClHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_N-4BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_N-4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_Sp-5C-4BrCClHINOPSSi_N-4BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 19, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_N-Sp-5C-4BrCClHINOPSSi", + kinetics = ArrheniusBM(A=(9.033e+07,'m^3/(mol*s)'), n=-1.66781e-08, w0=(547.5,'kJ/mol'), E0=(91.3422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_N-Sp-5C-4BrCClHINOPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_N-Sp-5C-4BrCClHINOPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_N-Sp-5C-4BrCClHINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_5R!H->C_N-Sp-5C-4BrCClHINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 20, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C", + kinetics = ArrheniusBM(A=(5.01833e+06,'m^3/(mol*s)'), n=0.144257, w0=(558.625,'kJ/mol'), E0=(39.6098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031627792693989576, var=0.7528364484010184, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C + Total Standard Deviation in ln(k): 1.818898225301531"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C +Total Standard Deviation in ln(k): 1.818898225301531""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C +Total Standard Deviation in ln(k): 1.818898225301531 +""", +) + +entry( + index = 21, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F", + kinetics = ArrheniusBM(A=(3.90964e+07,'m^3/(mol*s)'), n=0.00827539, w0=(559.833,'kJ/mol'), E0=(89.1574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03271880195959781, var=0.9745266199843224, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F + Total Standard Deviation in ln(k): 2.0612447212958087"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F +Total Standard Deviation in ln(k): 2.0612447212958087""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F +Total Standard Deviation in ln(k): 2.0612447212958087 +""", +) + +entry( + index = 22, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_2F1sH->F1s", + kinetics = ArrheniusBM(A=(2.23e+07,'m^3/(mol*s)'), n=2.19991e-09, w0=(621.5,'kJ/mol'), E0=(90.0734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_2F1sH->F1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_2F1sH->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_2F1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_2F1sH->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 23, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s", + kinetics = ArrheniusBM(A=(3.74373e+11,'m^3/(mol*s)'), n=-1.13618, w0=(547.5,'kJ/mol'), E0=(106.144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17783637696686197, var=0.7103023877912675, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s + Total Standard Deviation in ln(k): 2.1364045491484918"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s +Total Standard Deviation in ln(k): 2.1364045491484918""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s +Total Standard Deviation in ln(k): 2.1364045491484918 +""", +) + +entry( + index = 24, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(5.39841e+07,'m^3/(mol*s)'), n=0.0112234, w0=(547.5,'kJ/mol'), E0=(94.341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06853172317168153, var=2.6111630214932533, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 3.411660411384654"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 3.411660411384654""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 3.411660411384654 +""", +) + +entry( + index = 25, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(1.5e+07,'m^3/(mol*s)'), n=1.09487e-08, w0=(547.5,'kJ/mol'), E0=(78.6888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 26, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(9e+07,'m^3/(mol*s)'), n=-2.44236e-09, w0=(547.5,'kJ/mol'), E0=(83.8218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0692985756485417e-09, var=3.070154873043183e-17, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 1.63072748866403e-08"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 1.63072748866403e-08""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 1.63072748866403e-08 +""", +) + +entry( + index = 27, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl_Ext-4BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(9e+07,'m^3/(mol*s)'), n=-7.25758e-09, w0=(547.5,'kJ/mol'), E0=(86.9454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl_Ext-4BrCClHINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl_Ext-4BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_5BrClFNO->F_N-2F1sH->F1s_Ext-4BrCClHINOPSSi-R_N-6R!H->Cl_Ext-4BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 28, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F", + kinetics = ArrheniusBM(A=(5.00624e+06,'m^3/(mol*s)'), n=0.144526, w0=(557.417,'kJ/mol'), E0=(39.592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031762824178166255, var=0.7521626821211684, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F + Total Standard Deviation in ln(k): 1.818458956409249"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F +Total Standard Deviation in ln(k): 1.818458956409249""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F +Total Standard Deviation in ln(k): 1.818458956409249 +""", +) + +entry( + index = 29, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_5BrClO->Br", + kinetics = ArrheniusBM(A=(5e+06,'m^3/(mol*s)'), n=-1.15233e-08, w0=(571.5,'kJ/mol'), E0=(80.71,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_5BrClO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_5BrClO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_5BrClO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_5BrClO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 30, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br", + kinetics = ArrheniusBM(A=(5.00756e+06,'m^3/(mol*s)'), n=0.1445, w0=(554.6,'kJ/mol'), E0=(39.5844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03172617151314118, var=0.7523035110252831, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br + Total Standard Deviation in ln(k): 1.8185296223725322"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br +Total Standard Deviation in ln(k): 1.8185296223725322""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br +Total Standard Deviation in ln(k): 1.8185296223725322 +""", +) + +entry( + index = 31, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(4.90664e+07,'m^3/(mol*s)'), n=0.00528452, w0=(571.5,'kJ/mol'), E0=(52.975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.580305765337455, var=4.65409296700803, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 10.808064842723315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 10.808064842723315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 10.808064842723315 +""", +) + +entry( + index = 32, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_5ClO->O", + kinetics = ArrheniusBM(A=(5.12e+07,'m^3/(mol*s)'), n=-6.78941e-08, w0=(571.5,'kJ/mol'), E0=(53.0527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_5ClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_5ClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 33, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_N-5ClO->O", + kinetics = ArrheniusBM(A=(3.2e+07,'m^3/(mol*s)'), n=2.49092e-08, w0=(571.5,'kJ/mol'), E0=(77.9587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_N-5ClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_N-5ClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_N-5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_4BrCClHINOPSSi->O_N-5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 34, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(5.24514e+07,'m^3/(mol*s)'), n=-0.196046, w0=(543.333,'kJ/mol'), E0=(48.7677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14105511612367885, var=0.42089153333875484, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 1.6550048518322276"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 1.6550048518322276""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 1.6550048518322276 +""", +) + +entry( + index = 35, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C", + kinetics = ArrheniusBM(A=(1.34164e+07,'m^3/(mol*s)'), n=3.06259e-08, w0=(547.5,'kJ/mol'), E0=(55.8558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08754115351393721, var=0.9121353074708806, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C + Total Standard Deviation in ln(k): 2.13459042109891"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C +Total Standard Deviation in ln(k): 2.13459042109891""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C +Total Standard Deviation in ln(k): 2.13459042109891 +""", +) + +entry( + index = 36, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_Sp-5ClO-4C", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=1.01362e-08, w0=(547.5,'kJ/mol'), E0=(78.8139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_Sp-5ClO-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_Sp-5ClO-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_Sp-5ClO-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_Sp-5ClO-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 37, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_N-Sp-5ClO-4C", + kinetics = ArrheniusBM(A=(1.8e+07,'m^3/(mol*s)'), n=2.65791e-08, w0=(547.5,'kJ/mol'), E0=(71.238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_N-Sp-5ClO-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_N-Sp-5ClO-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_N-Sp-5ClO-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_4CN->C_N-Sp-5ClO-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 38, + label = "Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_N-4CN->C", + kinetics = ArrheniusBM(A=(7.1e+06,'m^3/(mol*s)'), n=-2.84625e-09, w0=(535,'kJ/mol'), E0=(33.6654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_N-4CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_N-4CN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_N-4CN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_Ext-4BrCClHINOPSSi-R_N-2Br1sCl1sF1sHI1s->Cl1s_N-5R!H->C_N-5BrClFNO->F_N-5BrClO->Br_N-4BrCClHINOPSSi->O_N-4CN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 39, + label = "Root_N-4R->F_4BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(4.03705e+07,'m^3/(mol*s)'), n=-0.0402969, w0=(481.167,'kJ/mol'), E0=(68.8474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2998898630423388, var=6.539834357495051, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->F_4BrCClHINOPSSi->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 10.905346776298199"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 10.905346776298199""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 10.905346776298199 +""", +) + +entry( + index = 40, + label = "Root_N-4R->F_4BrCClHINOPSSi->O_4O-u1", + kinetics = ArrheniusBM(A=(3.3e+06,'m^3/(mol*s)'), n=1.00706e-08, w0=(436,'kJ/mol'), E0=(47.0391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_4BrCClHINOPSSi->O_4O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_4O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_4O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_4O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 41, + label = "Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1", + kinetics = ArrheniusBM(A=(3.12378e+07,'m^3/(mol*s)'), n=-8.40405e-08, w0=(503.75,'kJ/mol'), E0=(40.7319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0857911500003818, var=6.906821833814157, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1 + Total Standard Deviation in ln(k): 7.996729245952894"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1 +Total Standard Deviation in ln(k): 7.996729245952894""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1 +Total Standard Deviation in ln(k): 7.996729245952894 +""", +) + +entry( + index = 42, + label = "Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_2Br1sCl1sF1sHI1s->Cl1s", + kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=-3.94335e-09, w0=(436,'kJ/mol'), E0=(53.781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_2Br1sCl1sF1sHI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_2Br1sCl1sF1sHI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 43, + label = "Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_N-2Br1sCl1sF1sHI1s->Cl1s", + kinetics = ArrheniusBM(A=(3.01e+07,'m^3/(mol*s)'), n=-2.09368e-08, w0=(571.5,'kJ/mol'), E0=(84.5214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_N-2Br1sCl1sF1sHI1s->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_N-2Br1sCl1sF1sHI1s->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_N-2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_4BrCClHINOPSSi->O_N-4O-u1_N-2Br1sCl1sF1sHI1s->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 44, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(6.00686e+07,'m^3/(mol*s)'), n=0.000112225, w0=(525,'kJ/mol'), E0=(36.2756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00018576552062254652, var=1.3235720018631436, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 2.306846279764352"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 2.306846279764352""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 2.306846279764352 +""", +) + +entry( + index = 45, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(2.5e+07,'m^3/(mol*s)'), n=-1.46201e-08, w0=(661.5,'kJ/mol'), E0=(97.4612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 46, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s", + kinetics = ArrheniusBM(A=(6.00716e+07,'m^3/(mol*s)'), n=0.000117761, w0=(505.5,'kJ/mol'), E0=(33.0773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0002752228620664441, var=1.3240886895969493, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s',), comment="""BM rule fitted to 7 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s + Total Standard Deviation in ln(k): 2.307521178013977"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 2.307521178013977""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s +Total Standard Deviation in ln(k): 2.307521178013977 +""", +) + +entry( + index = 47, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_4BrCClHN->C", + kinetics = ArrheniusBM(A=(4e+07,'m^3/(mol*s)'), n=1.83841e-08, w0=(547.5,'kJ/mol'), E0=(86.287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_4BrCClHN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_4BrCClHN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_4BrCClHN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_4BrCClHN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 48, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C", + kinetics = ArrheniusBM(A=(9.01885e+07,'m^3/(mol*s)'), n=0.000218269, w0=(498.5,'kJ/mol'), E0=(52.0352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45271294379919386, var=0.9153354832685294, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C + Total Standard Deviation in ln(k): 3.0554632411847225"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C +Total Standard Deviation in ln(k): 3.0554632411847225""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C +Total Standard Deviation in ln(k): 3.0554632411847225 +""", +) + +entry( + index = 49, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H", + kinetics = ArrheniusBM(A=(9.03018e+07,'m^3/(mol*s)'), n=1.07416e-07, w0=(536,'kJ/mol'), E0=(86.859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10199109315961442, var=0.020821356062487906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H + Total Standard Deviation in ln(k): 0.5455344228005681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H +Total Standard Deviation in ln(k): 0.5455344228005681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H +Total Standard Deviation in ln(k): 0.5455344228005681 +""", +) + +entry( + index = 50, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_2Cl1sH->Cl1s", + kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=-2.4084e-08, w0=(514,'kJ/mol'), E0=(90.793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_2Cl1sH->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_2Cl1sH->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 51, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_N-2Cl1sH->Cl1s", + kinetics = ArrheniusBM(A=(9.03e+07,'m^3/(mol*s)'), n=1.9881e-08, w0=(558,'kJ/mol'), E0=(85.6289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_N-2Cl1sH->Cl1s',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_N-2Cl1sH->Cl1s + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_N-2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_4BrClH->H_N-2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 52, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H", + kinetics = ArrheniusBM(A=(1.9633e+08,'m^3/(mol*s)'), n=-0.0207328, w0=(479.75,'kJ/mol'), E0=(66.1054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013799724606027793, var=2.202535911920206, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H + Total Standard Deviation in ln(k): 3.009888590192312"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H +Total Standard Deviation in ln(k): 3.009888590192312""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H +Total Standard Deviation in ln(k): 3.009888590192312 +""", +) + +entry( + index = 53, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_2Cl1sH->Cl1s", + kinetics = ArrheniusBM(A=(1.62578e+08,'m^3/(mol*s)'), n=-7.54378e-05, w0=(420,'kJ/mol'), E0=(64.7552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0461730789386792, var=8.801412695919307, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_2Cl1sH->Cl1s',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_2Cl1sH->Cl1s + Total Standard Deviation in ln(k): 6.063495388361434"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 6.063495388361434""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 6.063495388361434 +""", +) + +entry( + index = 54, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s", + kinetics = ArrheniusBM(A=(1.7e+08,'m^3/(mol*s)'), n=2.09814e-09, w0=(539.5,'kJ/mol'), E0=(73.7231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20750976509986754, var=0.08612060524197436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s + Total Standard Deviation in ln(k): 1.1096971382723972"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 1.1096971382723972""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s +Total Standard Deviation in ln(k): 1.1096971382723972 +""", +) + +entry( + index = 55, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_4BrCl->Cl", + kinetics = ArrheniusBM(A=(1.7e+08,'m^3/(mol*s)'), n=2.50869e-08, w0=(556,'kJ/mol'), E0=(84.6674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_4BrCl->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_4BrCl->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_4BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_4BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 56, + label = "Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_N-4BrCl->Cl", + kinetics = ArrheniusBM(A=(1.7e+08,'m^3/(mol*s)'), n=-8.68792e-11, w0=(523,'kJ/mol'), E0=(70.0941,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_N-4BrCl->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_N-4BrCl->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_N-4BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->F_N-4BrCClHINOPSSi->O_N-2Br1sCl1sF1sHI1s->F1s_N-4BrCClHN->C_N-4BrClH->H_N-2Cl1sH->Cl1s_N-4BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", ) diff --git a/input/kinetics/families/CO_Disproportionation/training/dictionary.txt b/input/kinetics/families/CO_Disproportionation/training/dictionary.txt index f62aa01965..f6fdccadb0 100644 --- a/input/kinetics/families/CO_Disproportionation/training/dictionary.txt +++ b/input/kinetics/families/CO_Disproportionation/training/dictionary.txt @@ -1,53 +1,40 @@ -HNO -1 *1 N u0 p1 c0 {2,D} {3,S} -2 O u0 p2 c0 {1,D} +HCO +multiplicity 2 +1 *3 C u1 p0 c0 {2,D} {3,S} +2 *2 O u0 p2 c0 {1,D} 3 *4 H u0 p0 c0 {1,S} -CH3OH -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 *1 O u0 p2 c0 {1,S} {6,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 *4 H u0 p0 c0 {2,S} +H +multiplicity 2 +1 *1 H u1 p0 c0 -CH2O -1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 O u0 p2 c0 {1,D} -3 *4 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} +CO +1 *2 O u0 p1 c+1 {2,T} +2 *3 C u0 p1 c-1 {1,T} -CH2OH +H2 +1 H u0 p0 c0 {2,S} +2 H u0 p0 c0 {1,S} + +O +multiplicity 3 +1 *1 O u2 p2 c0 + +OH multiplicity 2 -1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} -2 O u0 p2 c0 {1,S} {5,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} +1 *1 O u1 p2 c0 {2,S} +2 *4 H u0 p0 c0 {1,S} O2 multiplicity 3 1 *1 O u1 p2 c0 {2,S} 2 O u1 p2 c0 {1,S} -NO2 -multiplicity 2 -1 O u0 p2 c0 {2,D} -2 N u0 p1 c0 {1,D} {3,S} -3 *1 O u1 p2 c0 {2,S} - -CH3O -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 *1 O u1 p2 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} - -NO +HO2 multiplicity 2 -1 *1 N u1 p1 c0 {2,D} -2 O u0 p2 c0 {1,D} +1 *1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 *4 H u0 p0 c0 {1,S} CH3 multiplicity 2 @@ -56,12 +43,6 @@ multiplicity 2 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -HO2 -multiplicity 2 -1 O u1 p2 c0 {2,S} -2 *1 O u0 p2 c0 {1,S} {3,S} -3 *4 H u0 p0 c0 {2,S} - CH4 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 *4 H u0 p0 c0 {1,S} @@ -69,33 +50,131 @@ CH4 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} -CO -1 *3 C u0 p1 c-1 {2,T} -2 *2 O u0 p1 c+1 {1,T} - -H +CH3O multiplicity 2 -1 *1 H u1 p0 c0 +1 *1 O u1 p2 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} -O -multiplicity 3 -1 *1 O u2 p2 c0 +CH3OH +1 *1 O u0 p2 c0 {2,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 *4 H u0 p0 c0 {1,S} HCO_Y multiplicity 2 -1 *1 C u1 p0 c0 {2,S} {3,D} -2 H u0 p0 c0 {1,S} -3 O u0 p2 c0 {1,D} +1 O u0 p2 c0 {2,D} +2 *1 C u1 p0 c0 {1,D} {3,S} +3 H u0 p0 c0 {2,S} -C2H6 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +CH2O +1 O u0 p2 c0 {2,D} +2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} +3 *4 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +C2H3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C2H4 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} 3 *4 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} + +nC3H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {9,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} + +C3H8_n +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *4 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +iC3H7 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} + +C3H8_i +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +NO +multiplicity 2 +1 O u0 p2 c0 {2,D} +2 *1 N u1 p1 c0 {1,D} + +HNO +1 O u0 p2 c0 {2,D} +2 *1 N u0 p1 c0 {1,D} {3,S} +3 *4 H u0 p0 c0 {2,S} + +NO2 +multiplicity 2 +1 *1 O u1 p2 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 N u0 p1 c0 {1,S} {2,D} + +HONO +1 *1 O u0 p2 c0 {3,S} {4,S} +2 O u0 p2 c0 {3,D} +3 N u0 p1 c0 {1,S} {2,D} +4 *4 H u0 p0 c0 {1,S} + +CH2OH +multiplicity 2 +1 O u0 p2 c0 {2,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} C2H5 multiplicity 2 @@ -107,92 +186,204 @@ multiplicity 2 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} -C2H4 -1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} +C2H6 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} 3 *4 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} -C2H3 +CH2F multiplicity 2 -1 C u0 p0 c0 {2,D} {4,S} {5,S} -2 *1 C u1 p0 c0 {1,D} {3,S} -3 H u0 p0 c0 {2,S} +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -HCO +CH3F +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CHF2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2F2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CF3 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +CHF3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} + +F +multiplicity 2 +1 *1 F u1 p3 c0 + +HF +1 F u0 p3 c0 {2,S} +2 H u0 p0 c0 {1,S} + +Br +multiplicity 2 +1 *1 Br u1 p3 c0 + +BrH +1 *1 Br u0 p3 c0 {2,S} +2 *4 H u0 p0 c0 {1,S} + +BrO +multiplicity 2 +1 Br u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +BrHO +1 Br u0 p3 c0 {2,S} +2 *1 O u0 p2 c0 {1,S} {3,S} +3 *4 H u0 p0 c0 {2,S} + +ClO +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +ClHO +1 *1 O u0 p2 c0 {2,S} {3,S} +2 Cl u0 p3 c0 {1,S} +3 *4 H u0 p0 c0 {1,S} + +CClO +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,D} +2 *4 Cl u0 p3 c0 {1,S} +3 *2 O u0 p2 c0 {1,D} + +ClH +1 *4 Cl u0 p3 c0 {2,S} +2 *1 H u0 p0 c0 {1,S} + +ClO-2 +multiplicity 2 +1 *4 Cl u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +[OH]_r1 +multiplicity 2 +1 *1 O u1 p2 c0 {2,S} +2 H u0 p0 c0 {1,S} + +ClHO-2 +1 *1 O u0 p2 c0 {2,S} {3,S} +2 *4 Cl u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} + +Cl +multiplicity 2 +1 *1 Cl u1 p3 c0 + +Cl2 +1 *1 Cl u0 p3 c0 {2,S} +2 *4 Cl u0 p3 c0 {1,S} + +CFO multiplicity 2 1 *3 C u1 p0 c0 {2,S} {3,D} -2 *4 H u0 p0 c0 {1,S} +2 *4 F u0 p3 c0 {1,S} 3 *2 O u0 p2 c0 {1,D} -nC3H7 +FH-2 +1 *4 F u0 p3 c0 {2,S} +2 *1 H u0 p0 c0 {1,S} + +CF multiplicity 2 -1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} -5 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -6 H u0 p0 c0 {4,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {5,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {2,S} +2 *1 C u1 p1 c0 {1,S} -OH +CHF-2 +1 F u0 p3 c0 {2,S} +2 *1 C u0 p1 c0 {1,S} {3,S} +3 *4 H u0 p0 c0 {2,S} + +CFO-2 multiplicity 2 -1 *1 O u1 p2 c0 {2,S} -2 *4 H u0 p0 c0 {1,S} +1 *1 C u1 p0 c0 {2,S} {3,D} +2 F u0 p3 c0 {1,S} +3 O u0 p2 c0 {1,D} -H2 -1 H u0 p0 c0 {2,S} -2 H u0 p0 c0 {1,S} +CF2O +1 F u0 p3 c0 {4,S} +2 *4 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,D} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,D} -HONO -1 O u0 p2 c0 {2,D} -2 N u0 p1 c0 {1,D} {3,S} -3 *1 O u0 p2 c0 {2,S} {4,S} -4 *4 H u0 p0 c0 {3,S} +F2 +1 *1 F u0 p3 c0 {2,S} +2 *4 F u0 p3 c0 {1,S} -C3H8_n -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} -3 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -4 *4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} +ClH-2 +1 *1 Cl u0 p3 c0 {2,S} +2 *4 H u0 p0 c0 {1,S} -C3H8_i -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} -3 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 *4 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} +C2Cl2F3 +multiplicity 2 +1 Cl u0 p3 c0 {7,S} +2 Cl u0 p3 c0 {7,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 F u0 p3 c0 {6,S} +6 C u0 p0 c0 {3,S} {4,S} {5,S} {7,S} +7 *1 C u1 p0 c0 {1,S} {2,S} {6,S} -iC3H7 +C2HCl2F3 +1 Cl u0 p3 c0 {6,S} +2 Cl u0 p3 c0 {6,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 *1 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +7 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +8 *4 H u0 p0 c0 {6,S} + +CClFO +1 *4 Cl u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,D} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,D} + +CCl2F multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *1 C u1 p0 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {3,S} + +CHCl2F +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *4 H u0 p0 c0 {4,S} diff --git a/input/kinetics/families/CO_Disproportionation/training/reactions.py b/input/kinetics/families/CO_Disproportionation/training/reactions.py index a8ba645613..977d02f9bc 100644 --- a/input/kinetics/families/CO_Disproportionation/training/reactions.py +++ b/input/kinetics/families/CO_Disproportionation/training/reactions.py @@ -233,3 +233,264 @@ shortDesc = u"""Taken from Klippenstein_Glarborg2016, Experimental, original source: doi 10.1021/j100296a057""", ) +entry( + index = 13, + label = "HCO + CH2F <=> CO + CH3F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 14, + label = "HCO + CHF2 <=> CO + CH2F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 15, + label = "HCO + CF3 <=> CO + CHF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 16, + label = "HCO + F <=> CO + HF", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 17, + label = "HCO + Br <=> BrH + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BR + HCO <=> HBR + CO""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BR + HCO <=> HBR + CO +""", +) + +entry( + index = 18, + label = "HCO + BrO <=> BrHO + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCO + BRO <=> CO + BROH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HCO + BRO <=> CO + BROH +""", +) + +entry( + index = 19, + label = "HCO + ClO <=> ClHO + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCO + CLO <=> CO + HOCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HCO + CLO <=> CO + HOCL +""", +) + +entry( + index = 20, + label = "CClO + H <=> ClH + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is H + CLCO <=> CO + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: H + CLCO <=> CO + HCL +""", +) + +entry( + index = 21, + label = "CClO + O <=> ClO-2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O + CLCO <=> CO + CLO""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: O + CLCO <=> CO + CLO +""", +) + +entry( + index = 22, + label = "CClO + [OH]_r1 <=> ClHO-2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.3e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is OH + CLCO <=> CO + HOCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: OH + CLCO <=> CO + HOCL +""", +) + +entry( + index = 23, + label = "CClO + Cl <=> Cl2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+13,'cm^3/(mol*s)'), n=0, Ea=(1400,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + CLCO <=> CO + CL2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CL + CLCO <=> CO + CL2 +""", +) + +entry( + index = 24, + label = "CFO + H <=> FH-2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF:O + H <=> CO + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF:O + H <=> CO + HF +""", +) + +entry( + index = 25, + label = "HCO + CF => CHF-2 + CO", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF + HCO => CHF + CO""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF + HCO => CHF + CO +""", +) + +entry( + index = 26, + label = "CFO-2 + CFO <=> CF2O + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.23e+13,'cm^3/(mol*s)'), n=0, Ea=(318,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF:O + CF:O <=> CO + CF2:O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF:O + CF:O <=> CO + CF2:O +""", +) + +entry( + index = 27, + label = "CO + F2 <=> F + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.7e+11,'cm^3/(mol*s)'), n=0, Ea=(13500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is F2 + CO <=> CF:O + F""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: F2 + CO <=> CF:O + F +""", +) + +entry( + index = 28, + label = "HCO + Cl <=> ClH-2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + HCO <=> CO + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CL + HCO <=> CO + HCL +""", +) + +entry( + index = 29, + label = "CClO + Cl <=> Cl2 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+14,'cm^3/(mol*s)'), n=0, Ea=(800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CCLO + CL <=> CO + CL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CCLO + CL <=> CO + CL2 +""", +) + +entry( + index = 30, + label = "HCO + C2Cl2F3 <=> C2HCl2F3 + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(1500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCL2 + HCO <=> CF3CCL2H + CO""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF3CCL2 + HCO <=> CF3CCL2H + CO +""", +) + +entry( + index = 31, + label = "CFO-2 + CClO <=> CClFO + CO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3e+12,'cm^3/(mol*s)'), n=0, Ea=(2000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CCLO + CF:O <=> CFCLO + CO""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CCLO + CF:O <=> CFCLO + CO +""", +) + +entry( + index = 32, + label = "HCO + CCl2F <=> CHCl2F + CO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CFCL2 + HCO <=> CO + CHFCL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CFCL2 + HCO <=> CO + CHFCL2 +""", +) + diff --git a/input/kinetics/families/Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH/groups.py b/input/kinetics/families/Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH/groups.py index 71989c890a..590b77f5ca 100644 --- a/input/kinetics/families/Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH/groups.py +++ b/input/kinetics/families/Concerted_Intra_Diels_alder_monocyclic_1,2_shiftH/groups.py @@ -51,7 +51,7 @@ 7 R u0 {2,S} 8 R u0 {1,S} 9 R u0 {3,S} -10 *7 H u0 {6,S} +10 *7 [H,Val7] u0 {6,S} 11 R u0 {4,S} 12 R u0 {4,S} """, diff --git a/input/kinetics/families/Disproportionation/groups.py b/input/kinetics/families/Disproportionation/groups.py index 14339b203e..7aca93c178 100644 --- a/input/kinetics/families/Disproportionation/groups.py +++ b/input/kinetics/families/Disproportionation/groups.py @@ -43,2874 +43,2981 @@ entry( index = 1, - label = "Root_Ext-1R!H-R", + label = "Root_Ext-4R-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} +1 *2 R!H u0 {2,[S,D,B]} {3,S} 2 *3 R!H u[1,2] {1,[S,D,B]} 3 *4 H u0 {1,S} -4 *1 R u[1,2,3,4] -5 R!H ux {1,[S,D,T,B]} +4 *1 R u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 2, - label = "Root_Ext-1R!H-R_4R->O", + label = "Root_Ext-4R-R_5R!H-u0", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u[1,2,3,4] -5 C ux {1,[S,D,T,B]} +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 R u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 3, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u[1,2,3,4] {6,[S,D,T,B]} -5 C ux {1,[S,D,T,B]} -6 O ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,D,T,B,Q]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 R u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 4, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S", group = """ -1 *2 C u0 {2,S} {3,S} {5,S} -2 *3 C u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 {6,[S,D,T,B]} -5 C ux {1,S} -6 O ux {4,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 R u[1,2,3,4] {5,S} +5 S u0 {4,S} +6 C ux {1,S} """, kinetics = None, ) entry( index = 5, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S_Ext-2R!H-R", group = """ -1 *2 C u0 {2,S} {3,S} {5,S} -2 *3 C u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 {6,[S,D,T,B]} -5 C ux {1,S} {7,[S,D,T,B]} -6 O ux {4,[S,D,T,B]} -7 C ux {5,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} {6,S} +2 *3 C u[1,2] r0 {1,S} {7,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 R u[1,2,3,4] r0 {5,S} +5 S u0 r0 {4,S} +6 C ux r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 6, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S", group = """ -1 *2 C u0 {2,S} {3,S} {5,S} {8,S} -2 *3 C u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 {6,[S,D,T,B]} -5 C ux {1,S} {7,[S,D,T,B]} -6 O ux {4,[S,D,T,B]} -7 C ux {5,[S,D,T,B]} -8 C u0 {1,S} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,D,T,B,Q]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 R u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,N,F,Br,Cl] u0 {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 7, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-8R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} {8,S} -2 *3 C u[1,2] r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 {6,[S,D,T,B]} -5 C ux r0 {1,S} {7,[S,D,T,B]} -6 O ux {4,[S,D,T,B]} -7 C ux {5,[S,D,T,B]} -8 C u0 r0 {1,S} {9,[S,D,T,B]} -9 R!H ux {8,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 8, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-1R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} {7,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 {6,S} -5 C u0 r0 {1,S} -6 O u1 r0 {4,S} -7 C u0 r0 {1,S} +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 9, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_N-Sp-5R!H-1R!H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,D} -2 *3 C u1 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u[1,2,3,4] {6,S} -5 C u0 {1,D} -6 O u1 r0 {4,S} +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *3 C u1 {1,S} {8,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 10, - label = "Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *2 C u0 {2,S} {3,S} {5,S} -2 *3 C u1 {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 -5 C u0 {1,S} +1 *2 C u0 r0 {2,S} {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *3 C u1 r0 {1,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u0 r0 {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 11, - label = "Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H_Ext-1R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} {6,[S,D,T,B]} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 -5 C u0 r0 {1,S} -6 R!H ux {1,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u1 {1,S} {7,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} +6 F u0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 12, - label = "Root_Ext-1R!H-R_4R->O_N-Sp-5R!H-1R!H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,D} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u[1,2,3,4] -5 C ux {1,D} +1 *2 C u0 r0 {2,S} {3,S} {6,S} +2 *3 C u1 r0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u0 r0 {4,S} +6 F u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 13, - label = "Root_Ext-1R!H-R_N-4R->O", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [H,C,N,S] u[1,2,3,4] -5 R!H ux {1,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,D,T,B,Q]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,N,F,Br,Cl] u0 {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 14, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [H,C,N,S] u[1,2,3,4] -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,D} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +6 C ux {1,D} """, kinetics = None, ) entry( index = 15, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-5BrCClFNO-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} {6,D} +2 *3 C u[1,2] r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 C u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {1,D} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 16, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {7,[S,D,T,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,D} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 {5,S} {7,[S,D,T,B,Q]} +5 C u0 {4,S} +6 C u0 {1,D} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 17, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_Sp-7R!H#4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R_Ext-4CS-R", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} {6,D} 2 *3 C u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 r0 {7,T} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 R!H u0 r0 {4,T} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C u0 r0 {4,S} +6 C u0 r0 {1,D} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 18, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Sp-5BrCClFNO-4BrCCClFNOS", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {7,[S,D,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 R!H ux {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,D} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,S} +5 C u0 {4,S} +6 C ux {1,D} """, kinetics = None, ) entry( index = 19, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_N-Sp-5BrCClFNO-4BrCCClFNOS", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {7,[S,D,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 C ux {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,D} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,D} +5 C u0 {4,D} +6 C ux {1,D} """, kinetics = None, ) entry( index = 20, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {7,S} {8,[S,D,T,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 C ux {4,S} -8 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,N,F,Br,Cl] u0 {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,B]} """, kinetics = None, ) entry( index = 21, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R_Ext-4C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 C u[1,2,3,4] {7,S} {8,[S,D,T,B]} {9,[S,D,T,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 C ux {4,S} -8 R!H ux {4,[S,D,T,B]} -9 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,N,F,Br,Cl] u0 {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,B]} """, kinetics = None, ) entry( index = 22, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {7,[S,D,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 C ux {4,[S,D,B]} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,T} +5 C u0 {4,T} +6 C ux {1,S} """, kinetics = None, ) entry( index = 23, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Sp-7C-4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_Ext-1R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {7,S} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 C ux {4,S} +1 *2 C u0 r0 {2,S} {3,S} {6,S} {7,[S,D,T,B,Q]} +2 *3 C u[1,2] r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 C u[1,2,3,4] r0 {5,T} +5 C u0 r0 {4,T} +6 C ux r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 24, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_N-Sp-7C-4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {7,D} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 C ux {4,D} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} +5 [C,O,N,F,Br,Cl] u0 {4,[S,D,B]} +6 R!H ux {1,[S,B]} """, kinetics = None, ) entry( index = 25, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 C u[1,2,3,4] {7,[S,D,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 O ux {4,[S,D,B]} +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 {5,S} +5 O u0 {4,S} +6 C u0 {1,S} """, kinetics = None, ) entry( index = 26, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O_Ext-1R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [H,S] u[1,2,3,4] -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} {6,S} {7,[S,D,T,B,Q]} +2 *3 C u1 r0 {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 r0 {5,S} +5 O u0 r0 {4,S} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 27, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 H u[1,2,3,4] -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} +5 [C,F] u0 {4,[S,D,B]} +6 R!H ux {1,[S,B]} """, kinetics = None, ) entry( index = 28, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 S u[1,2,3,4] -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} +5 [C,F] u0 {4,[S,D,B]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} +7 R!H u0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 29, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H_Ext-4S-R_Ext-7R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_1R!H-inRing", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B]} {6,[S,D,T,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 S u[1,2,3,4] {7,S} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} -7 C u0 r0 {4,S} {8,[S,D,T,B]} -8 R!H ux {7,[S,D,T,B]} +1 *2 C u0 r1 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} +5 [C,F] u0 {4,[S,D,B]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} +7 R!H u0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 30, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_N-1R!H-inRing", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,D} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] -5 C ux {1,D} +1 *2 C u0 r0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} +5 [C,F] u0 {4,[S,D,B]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} +7 R!H u0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 31, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,D} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,T,B]} -5 C ux {1,D} -6 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} {7,[S,D,T,B,Q]} +5 [C,F] u0 {4,[S,D,B]} +6 R!H ux {1,[S,B]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 32, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-1R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,D} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,T,B]} -5 C ux {1,D} -6 C u0 r0 {4,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} {8,[S,D,T,B,Q]} +2 *3 R!H u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 {5,S} {7,S} +5 [C,F] u0 {4,S} +6 R!H u0 {1,[S,B]} +7 R!H u0 r0 {4,S} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 33, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-2R!H-R", group = """ -1 *2 C u0 {2,S} {3,S} {5,D} -2 *3 C u1 {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 {6,[S,D,T,B]} {7,[S,D,T,B]} -5 C u0 {1,D} -6 R!H ux {4,[S,D,T,B]} -7 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 R!H u[1,2] {1,[S,D,B]} {8,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} {7,[S,D,T,B,Q]} +5 [C,F] u0 {4,[S,D,B]} +6 R!H ux {1,[S,B]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 34, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R_Ext-4CHNS-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_2R!H->C", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,D} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 {6,[S,D,T,B]} {7,[S,D,T,B]} {8,[S,D,T,B]} -5 C u0 r0 {1,D} -6 R!H ux {4,[S,D,T,B]} -7 R!H ux {4,[S,D,T,B]} -8 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,[S,B]} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} {7,[S,D,T,B,Q]} +5 C u0 {4,[S,D,B]} +6 C ux {1,[S,B]} +7 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 35, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Sp-6R!H-4CHNS", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,D} -2 *3 C u[1,2] {1,[S,D,B]} +1 *2 C u0 {2,S} {3,S} {6,[S,B]} +2 *3 S u[1,2] {1,S} 3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,S} -5 C ux {1,D} -6 C ux {4,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} {7,[S,D,T,B,Q]} +5 C u0 {4,[S,D,B]} +6 C ux {1,[S,B]} +7 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 36, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-5CF-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,D} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,D} -5 C ux {1,D} -6 C ux {4,D} +1 *2 C u0 {2,S} {3,S} {6,[S,B]} +2 *3 S u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} {7,[S,D,T,B,Q]} +5 C u0 {4,[S,D,B]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,B]} +7 C ux {4,[S,D,T,B,Q]} {8,D} +8 C u0 r0 {7,D} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 37, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [H,C,N,S] u[1,2,3,4] -5 C ux {1,[S,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,B]} +5 C u0 {4,[S,D,B]} +6 C ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 38, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Ext-5CF-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [H,C,N,S] u[1,2,3,4] {6,[S,D,T,B]} -5 C ux {1,[S,B]} -6 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} {7,S} +2 *3 C u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 {5,[S,D,B]} +5 C u0 {4,[S,D,B]} {8,[S,D,T,B,Q]} +6 C u0 {1,[S,B]} +7 C u0 r0 {1,S} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 39, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Sp-5CF-4C", group = """ -1 *2 C u0 {2,S} {3,S} {5,S} -2 *3 C u1 {1,S} -3 *4 H u0 {1,S} -4 *1 [H,C,N,S] u[1,2,3,4] {6,S} -5 C u0 {1,S} -6 S ux {4,S} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,S} +5 C u0 {4,S} +6 C ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 40, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S_Ext-2R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_N-Sp-5CF-4C", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} -2 *3 C u1 r0 {1,S} {7,[S,D,T,B]} -3 *4 H u0 r0 {1,S} -4 *1 [H,C,N,S] u[1,2,3,4] r0 {6,S} -5 C u0 r0 {1,S} -6 S ux r0 {4,S} -7 R!H ux {2,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,D} +5 C u0 {4,D} +6 C ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 41, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [H,C,N,S] u[1,2,3,4] {6,[S,D,T,B]} -5 C ux {1,[S,B]} -6 [I,Br,F,Cl,O,P,C,N,Si] ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 C u1 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u1 {5,S} +5 C u0 {4,S} +6 C u0 {1,[S,B]} """, kinetics = None, ) entry( index = 42, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C_Ext-5CF-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,T,B]} -5 C ux {1,[S,B]} -6 [I,Br,F,Cl,O,P,C,N,Si] ux {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 C u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 {5,S} +5 C u0 {4,S} {7,[S,D,T,B,Q]} +6 C u0 {1,[S,B]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 43, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_N-Sp-5CF-4C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {6,T} -5 C ux {1,[S,B]} -6 [I,Br,F,Cl,O,P,C,N,Si] u0 {4,T} +1 *2 C u0 r0 {2,S} {3,S} {6,S} +2 *3 C u[1,2] r0 {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] r0 {5,[B,D]} +5 C u0 r0 {4,[B,D]} +6 C ux r0 {1,S} """, kinetics = None, ) entry( index = 44, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,B]} -5 C ux {1,[S,B]} -6 [I,Br,F,Cl,O,P,C,N,Si] ux {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 S u[1,2,3,4] {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +6 C ux {1,[S,B]} """, kinetics = None, ) entry( index = 45, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,B]} -5 C ux {1,[S,B]} -6 C ux {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} {7,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 S u[1,2,3,4] {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +6 C ux {1,[S,B]} +7 C u0 {1,S} """, kinetics = None, ) entry( index = 46, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing", + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R_Ext-5BrCClFNO-R", group = """ -1 *2 C u0 r1 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {6,[S,D,B]} -5 C ux {1,[S,B]} -6 C u0 {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {6,[S,B]} {7,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 S u[1,2,3,4] {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,B]} +7 C u0 r0 {1,S} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 47, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R", group = """ -1 *2 C u0 r0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {6,[S,D,T,B,Q]} 3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,B]} -5 C ux {1,[S,B]} -6 C ux {4,[S,D,B]} +4 *1 R u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 48, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F", group = """ -1 *2 C u0 r0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u[1,2] {1,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {6,[S,D,T,B,Q]} 3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,B]} {7,[S,D,T,B]} -5 C ux {1,[S,B]} -6 C ux {4,[S,D,B]} -7 R!H ux {4,[S,D,T,B]} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} +5 F u0 {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 49, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_Sp-2R!H-1R!H", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} -2 *3 C u1 {1,S} +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u[1,2] r0 {1,S} {6,[S,D,T,B,Q]} 3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,B]} {7,[S,D,T,B]} -5 C u0 {1,S} -6 C ux {4,[S,D,B]} -7 R!H ux {4,[S,D,T,B]} +4 *1 C u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 F u0 r0 {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 50, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C_Ext-4C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_N-Sp-2R!H-1R!H", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u[1,2,3,4] r0 {6,[S,D,B]} {7,[S,D,T,B]} {8,[S,D,T,B]} -5 C u0 r0 {1,S} -6 C ux r0 {4,[S,D,B]} -7 R!H ux {4,[S,D,T,B]} -8 R!H ux {4,[S,D,T,B]} +1 *2 C u0 r0 {2,D} {3,S} +2 *3 C u[1,2] r0 {1,D} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 F u0 r0 {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 51, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F", group = """ -1 *2 C u0 r0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 S u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {6,S} {7,S} -5 C ux {1,[S,B]} -6 C u0 {4,S} -7 C u0 {4,S} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 R u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,S,N,Br,Cl] u0 {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 52, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-6C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R", group = """ -1 *2 C u0 r0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 S u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {6,S} {7,S} -5 C ux {1,[S,B]} -6 C u0 {4,S} {9,[S,D,T,B]} -7 C u0 r0 {4,S} {8,D} -8 C u0 r0 {7,D} -9 R!H ux {6,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 53, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-4R-R", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} -2 *3 C u1 {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 {6,S} -5 C u0 {1,S} -6 C u0 {4,S} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u1 {1,[S,D,B]} {6,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 {5,S} {8,[S,D,T,B,Q]} +5 C u0 {4,S} {7,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 54, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-2R!H-R", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 {6,S} -5 C u0 r0 {1,S} -6 C u0 r0 {4,S} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} {7,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 C ux {5,S} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 55, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_4R->C", group = """ -1 *2 C u0 r0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] {6,D} -5 C ux {1,[S,B]} -6 C ux {4,D} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,S,N,Br,Cl] u0 {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 56, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u1 {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 C u[1,2,3,4] {6,[S,D,B]} -5 C u0 {1,[S,B]} -6 O ux {4,[S,D,B]} +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 57, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_N-4CHNS->C", + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C_Ext-2R!H-R", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 R!H u1 {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 S u[1,2,3,4] {6,[S,D,T,B]} -5 C u0 {1,[S,B]} -6 [I,Br,F,Cl,O,P,C,N,Si] ux {4,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u0 r0 {4,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 58, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 C u1 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] -5 C u0 {1,[S,B]} +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 59, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 C u1 {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 C u1 -5 C u0 {1,[S,B]} +1 *2 R!H u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 60, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_N-4C-u1", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_5R!H->Br", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,B]} -2 *3 C u1 {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 C u2 -5 C u0 {1,[S,B]} +1 *2 R!H u0 r0 {2,S} {3,S} +2 *3 R!H u[1,2] r0 {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 Br u0 r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 61, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_N-4CHNS->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br", group = """ -1 *2 C u0 r0 {2,S} {3,S} {5,S} -2 *3 C u[1,2] r0 {1,S} -3 *4 H u0 {1,S} -4 *1 [H,S] u[1,2,3,4] r0 -5 C ux r0 {1,S} +1 *2 R!H u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [O,Cl,N] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 62, - label = "Root_Ext-2R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_2R!H->C", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 R u[1,2,3,4] -5 R!H ux {2,[S,D,T,B]} +1 *2 R!H u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 {5,S} +5 [O,Cl,N] u0 {4,S} """, kinetics = None, ) entry( index = 63, - label = "Root_Ext-2R!H-R_2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 C u[1,2] {1,S} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 R u[1,2,3,4] -5 C ux {2,[S,D,T,B]} +1 *2 R!H u0 {2,S} {3,S} +2 *3 [O,N] u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [O,Cl,N] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 64, - label = "Root_Ext-2R!H-R_2R!H->C_4R->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_1R!H->C", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 C u[1,2] r0 {1,S} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] r0 -5 C ux {2,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} +2 *3 [O,N] u[1,2] r0 {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 [O,Cl,N] u0 r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 65, - label = "Root_Ext-2R!H-R_2R!H->C_N-4R->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 C u[1,2] r0 {1,S} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 [H,N,O] u[1,2,3,4] r0 -5 C ux {2,[S,D,T,B]} +1 *2 [O,N] u0 {2,S} {3,S} +2 *3 [O,N] u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [O,Cl,N] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 66, - label = "Root_Ext-2R!H-R_N-2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} -2 *3 N u[1,2] {1,[S,D,B]} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 R u[1,2,3,4] -5 O ux {2,[S,D,T,B]} +1 *2 O u0 {2,S} {3,S} +2 *3 [O,N] u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [O,Cl,N] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 67, - label = "Root_Ext-2R!H-R_N-2R!H->C_4R->H", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_2NO->O", group = """ -1 *2 C u0 r0 {2,D} {3,S} -2 *3 N u[1,2] r0 {1,D} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 -5 O ux {2,[S,D,T,B]} +1 *2 O u0 r0 {2,S} {3,S} +2 *3 O u1 r0 {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 [O,Cl,N] u0 r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 68, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_N-2NO->O", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} -2 *3 N u[1,2] {1,[S,D,B]} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,O] u[1,2,3,4] -5 O ux {2,[S,D,T,B]} +1 *2 O u0 r0 {2,S} {3,S} +2 *3 N u1 r0 {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 [O,Cl,N] u0 r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 69, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_4CNO->O", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} -2 *3 N u1 {1,[S,D,B]} {5,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 -5 O u0 r0 {2,S} +1 *2 N u0 {2,S} {3,S} +2 *3 [O,N] u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 70, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_2NO->O", group = """ -1 *2 C u0 {2,D} {3,S} -2 *3 N u[1,2] {1,D} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 [C,N] u[1,2,3,4] -5 O ux {2,[S,D,T,B]} +1 *2 N u0 r0 {2,S} {3,S} +2 *3 O u[1,2] r0 {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 O u0 r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 71, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_4CN->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O", group = """ -1 *2 C u0 r0 {2,D} {3,S} -2 *3 N u[1,2] r0 {1,D} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 C u[1,2,3,4] r0 -5 O ux {2,[S,D,T,B]} +1 *2 N u0 {2,S} {3,S} +2 *3 N u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} """, kinetics = None, ) entry( index = 72, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_N-4CN->C", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_2N-u1", group = """ -1 *2 C u0 r0 {2,D} {3,S} -2 *3 N u[1,2] r0 {1,D} {5,[S,D,T,B]} -3 *4 H u0 {1,S} -4 *1 N u[1,2,3,4] r0 -5 O ux {2,[S,D,T,B]} +1 *2 N u0 {2,S} {3,S} +2 *3 N u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} """, kinetics = None, ) entry( index = 73, - label = "Root_4R->H", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_N-2N-u1", group = """ -1 *2 R!H u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 N u0 {2,S} {3,S} +2 *3 N u2 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 {5,S} +5 O u0 {4,S} """, kinetics = None, ) entry( index = 74, - label = "Root_4R->H_Sp-2R!H-1R!H", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H", group = """ -1 *2 R!H u0 {2,S} {3,S} -2 *3 R!H u[1,2] {1,S} +1 *2 R!H u0 {2,D} {3,S} +2 *3 N u1 {1,D} 3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 75, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_1R!H->C", group = """ -1 *2 R!H u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 C u0 r0 {2,D} {3,S} +2 *3 N u1 r0 {1,D} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 O u0 r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 76, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O", + label = "Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_N-1R!H->C", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 [O,N] u0 r0 {2,D} {3,S} +2 *3 N u1 r0 {1,D} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,[S,D,T,B,Q]} +5 O u0 r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 77, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O", group = """ -1 *2 O u0 r0 {2,S} {3,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 R!H u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 78, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_5R!H->N", group = """ -1 *2 O u0 r0 {2,S} {3,S} -2 *3 [N,O] u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 {5,[S,D,T,B,Q]} +5 N u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 79, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N", group = """ -1 *2 [C,N] u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,S,Br,Cl] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 80, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,S,Br,Cl] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 81, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 C u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 H u1 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,S} +5 [C,O,S,Br,Cl] u0 {4,S} """, kinetics = None, ) entry( index = 82, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_Ext-5BrCClOS-R", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 [N,O] u1 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 O u0 r0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] r0 {5,S} +5 [C,O,S,Br,Cl] u0 r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 83, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_2NO->N", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 N u1 r0 {1,S} +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} 3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +4 *1 C u[1,2,3,4] {5,S} +5 C u0 {4,S} """, kinetics = None, ) entry( index = 84, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_N-2NO->N", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 O u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,S} {6,[S,D,T,B,Q]} +5 C u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 85, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R_Ext-4CNS-R", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} 3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +4 *1 C u[1,2,3,4] {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 86, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 C u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 H u1 +1 *2 O u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u1 {5,S} +5 O u0 {4,S} """, kinetics = None, ) entry( index = 87, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_2R!H->C", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 [N,O] u1 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 O u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 r0 {5,S} +5 O u0 r0 {4,S} """, kinetics = None, ) entry( index = 88, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_N-2R!H->C", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 N u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +1 *2 O u0 r0 {2,S} {3,S} +2 *3 O u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 r0 {5,S} +5 O u0 r0 {4,S} """, kinetics = None, ) entry( index = 89, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 O u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[D,T]} +5 [C,O,S,Br,Cl] u0 {4,[D,T]} """, kinetics = None, ) entry( index = 90, - label = "Root_4R->H_Sp-2R!H-1R!H_N-2R!H-u1", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C", group = """ -1 *2 R!H u0 r0 {2,S} {3,S} -2 *3 R!H u2 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[D,T]} +5 C u0 {4,[D,T]} """, kinetics = None, ) entry( index = 91, - label = "Root_4R->H_N-Sp-2R!H-1R!H", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C", group = """ -1 *2 R!H u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] {5,[D,T]} +5 C u0 {4,[D,T]} """, kinetics = None, ) entry( index = 92, - label = "Root_4R->H_N-Sp-2R!H-1R!H_1R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_Sp-5C=4CNS", group = """ -1 *2 C u0 r0 {2,D} {3,S} -2 *3 R!H u1 r0 {1,D} -3 *4 H u0 {1,S} -4 *1 H u[1,2,3,4] r0 +1 *2 O u0 r0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] r0 {5,D} +5 C u0 r0 {4,D} """, kinetics = None, ) entry( index = 93, - label = "Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_N-Sp-5C=4CNS", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 H u1 +1 *2 O u0 r0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] r0 {5,T} +5 C u0 r0 {4,T} """, kinetics = None, ) entry( index = 94, - label = "Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_N-2R!H->C", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 C u[1,2] {1,D} -3 *4 H u0 r0 {1,S} -4 *1 H u1 +1 *2 O u0 {2,S} {3,S} +2 *3 O u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 {5,[D,T]} +5 C u0 {4,[D,T]} """, kinetics = None, ) entry( index = 95, - label = "Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_N-2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 N u[1,2] {1,D} -3 *4 H u0 r0 {1,S} -4 *1 H u1 +1 *2 O u0 r0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] r0 {5,[D,T]} +5 O u0 r0 {4,[D,T]} """, kinetics = None, ) entry( index = 96, - label = "Root_N-4R->H", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O", group = """ -1 *2 R!H u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u[1,2,3,4] +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,S,Br,Cl] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 97, - label = "Root_N-4R->H_4CNOS-u1", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_2R!H->O", group = """ -1 *2 R!H u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 O u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 {5,[S,D,T,B,Q]} +5 [C,O,S,Br,Cl] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 98, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 [C,S,N] u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D,T,B,Q]} +5 [C,O,S,Br,Cl] u0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 99, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 +1 *2 [C,S,N] u0 r0 {2,[S,D,B]} {3,S} +2 *3 [C,S,N] u[1,2] r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] r0 {5,T} +5 [C,O,S,Br,Cl] u0 r0 {4,T} """, kinetics = None, ) entry( index = 100, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 [C,S,N] u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D]} +5 [C,O,S,Br,Cl] u0 {4,[S,D]} """, kinetics = None, ) entry( index = 101, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_2CNS->S", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {5,D} -5 R!H u0 {4,D} +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 S u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 {5,[S,D]} +5 [C,O,S,Br,Cl] u0 {4,[S,D]} """, kinetics = None, ) entry( index = 102, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S", group = """ -1 *2 O u0 r0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 r0 {5,D} -5 C u0 {4,D} +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 [C,N] u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D]} +5 [C,O,S,Br,Cl] u0 {4,[S,D]} """, kinetics = None, ) entry( index = 103, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O", group = """ -1 *2 O u0 r0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 r0 {5,D} -5 O u0 {4,D} +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 [C,N] u1 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u1 {5,[S,D]} +5 O u0 {4,[S,D]} """, kinetics = None, ) entry( index = 104, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_1CNS->C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 {5,[S,T,B]} -5 R!H ux {4,[S,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 [C,N] u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 {5,[S,D]} +5 O u0 {4,[S,D]} """, kinetics = None, ) entry( index = 105, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_N-1CNS->C", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 C u1 {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 {5,S} {6,[S,D,T,B]} -5 C u0 {4,S} -6 R!H ux {4,[S,D,T,B]} +1 *2 [S,N] u0 {2,[S,D,B]} {3,S} +2 *3 [C,N] u1 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 {5,[S,D]} +5 O u0 {4,[S,D]} """, kinetics = None, ) entry( index = 106, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R_Ext-4CNOS-R", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 C u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 {5,S} {6,[S,D,T,B]} {7,[S,D,T,B]} -5 C u0 r0 {4,S} -6 R!H ux {4,[S,D,T,B]} -7 R!H ux {4,[S,D,T,B]} +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,[S,D]} +5 [C,S] u0 {4,[S,D]} """, kinetics = None, ) entry( index = 107, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 {5,[S,T,B]} -5 R!H ux {4,[S,T,B]} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} +1 *2 [C,S,N] u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,S} +5 [C,S] u0 {4,S} """, kinetics = None, ) entry( index = 108, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {5,[S,T,B]} -5 R!H ux {4,[S,T,B]} +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 {5,S} {6,[S,D,T,B,Q]} +5 C u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 109, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {5,S} -5 R!H ux {4,S} +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 C u1 {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C u0 {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 110, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_5R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {5,S} -5 C ux {4,S} +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 {5,S} +5 C u0 {4,S} """, kinetics = None, ) entry( index = 111, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 {5,S} -5 O ux {4,S} +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 {5,S} +5 C u0 r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 112, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_N-1CNS->C", group = """ -1 *2 O u0 r0 {2,S} {3,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 {5,T} -5 R!H u0 r0 {4,T} +1 *2 S u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [C,S,N] u[1,2,3,4] {5,S} +5 [C,S] u0 {4,S} """, kinetics = None, ) entry( index = 113, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C", + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_N-Sp-5CS-4CCNSS", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,T,B]} -5 R!H ux {4,[S,T,B]} +1 *2 [C,S,N] u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 [C,S,N] u1 {5,D} +5 [C,S] u0 {4,D} """, kinetics = None, ) entry( index = 114, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0", + label = "Root_Ext-4R-R_N-5R!H-u0", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,T,B]} -5 R!H u0 {4,[S,T,B]} +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 115, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,T,B]} -5 C u0 {4,[S,T,B]} +1 *2 R!H u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 116, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,T,B]} -5 O u0 {4,[S,T,B]} +1 *2 C u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 117, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R", group = """ -1 *2 O u0 r0 {2,S} {3,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 {5,S} -5 R!H u1 r0 {4,S} +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 118, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 119, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 C ux {1,S} """, kinetics = None, ) entry( index = 120, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 [N,O,S] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 C u0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 121, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 [N,O,S] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} {6,S} {8,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 C u0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 {1,S} """, kinetics = None, ) entry( index = 122, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R_Ext-8R!H-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 [N,O,S] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,S} -5 R!H u0 {4,S} +1 *2 C u0 {2,S} {3,S} {6,S} {8,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 123, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-1C-R", group = """ -1 *2 O u0 r0 {2,[S,D,B]} {3,S} -2 *3 N u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 r0 {5,S} -5 R!H u0 r0 {4,S} +1 *2 C u0 r0 {2,S} {3,S} {6,S} {7,S} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u1 r0 {4,S} +6 C ux {1,S} +7 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 124, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_N-2NOS->N", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_N-Sp-6C-1C", group = """ -1 *2 O u0 r0 {2,[S,D,B]} {3,S} -2 *3 O u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 r0 {5,S} -5 R!H u0 r0 {4,S} +1 *2 C u0 r0 {2,S} {3,S} {6,D} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,S} +5 O u1 r0 {4,S} +6 C ux {1,D} """, kinetics = None, ) entry( index = 125, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 [N,O,S] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N] u1 +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 [O,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 126, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_4CN->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 [N,O,S] u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u1 {1,S} {7,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u1 {4,S} +6 F u0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 127, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 [N,O,S] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 C u0 {2,S} {3,S} {6,S} {8,S} +2 *3 C u1 {1,S} {7,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u1 {4,S} +6 F u0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 F u0 {1,S} """, kinetics = None, ) entry( index = 128, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R_Ext-2R!H-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 O u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} {6,S} {8,S} +2 *3 C u1 r0 {1,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u1 r0 {4,S} +6 F u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 F u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 129, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_5R!H->N", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 O u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 N u1 {5,[S,D,T,B]} -5 N u0 r0 {4,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} {6,S} +2 *3 C u1 r0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u1 r0 {4,S} +6 F u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 130, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 O u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 {5,[S,D,T,B]} -5 [I,Br,F,Cl,O,P,S,C,Si] ux {4,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u1 {4,S} +6 F u0 {1,S} """, kinetics = None, ) entry( index = 131, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_5BrCClFIOPSSi->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C_Ext-1C-R", group = """ -1 *2 O u0 r0 {2,[S,D,B]} {3,S} -2 *3 O u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 r0 {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} {6,S} {7,S} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u1 r0 {4,S} +6 F u0 r0 {1,S} +7 F u0 r0 {1,S} """, kinetics = None, ) entry( index = 132, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_N-5BrCClFIOPSSi->C", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_N-2R!H->C", group = """ -1 *2 O u0 r0 {2,[S,D,B]} {3,S} -2 *3 O u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 r0 {5,[S,D,T,B]} -5 O ux {4,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} +2 *3 O u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 [O,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 133, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 N u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 134, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_N-2NOS->N", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_6R!H->C", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 O u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} {6,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u1 r0 {4,S} +6 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 135, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u1 +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 [O,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 136, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} {6,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,S} +5 O u1 {4,S} +6 F u0 {2,S} """, kinetics = None, ) entry( index = 137, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F_Ext-2R!H-R", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,D,T,B]} -5 O ux {4,[S,D,T,B]} +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} {6,S} {7,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 {5,S} +5 O u1 r0 {4,S} +6 F u0 r0 {2,S} +7 F u0 r0 {2,S} """, kinetics = None, ) entry( index = 138, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_N-6BrClFINOPSSi->F", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,D,T,B]} -5 O u0 {4,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 Cl ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 139, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS", + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_N-1R!H->C", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 R!H u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,D,T,B]} -5 O u0 {4,[S,D,T,B]} +1 *2 [O,N] u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 140, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N", + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 N u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,D,T,B]} -5 O u0 {4,[S,D,T,B]} +1 *2 R!H u0 {2,[B,D]} {3,S} +2 *3 R!H u[1,2] {1,[B,D]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 141, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1", + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 N u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 r0 {5,[S,D,T,B]} -5 O u0 {4,[S,D,T,B]} +1 *2 C u0 {2,[B,D]} {3,S} +2 *3 C u[1,2] {1,[B,D]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 142, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_N-2N-u1", + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 N u2 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 r0 {5,[S,D,T,B]} -5 O u0 {4,[S,D,T,B]} +1 *2 C u0 {2,[B,D]} {3,S} +2 *3 C u[1,2] {1,[B,D]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 143, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N", + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C_Ext-1R!H-R", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 O u[1,2] {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 {5,S} -5 O u0 r0 {4,S} +1 *2 C u0 {2,[B,D]} {3,S} {7,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[B,D]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 144, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS", + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_N-6R!H->C", group = """ -1 *2 [C,N,S] u0 {2,D} {3,S} -2 *3 N u1 {1,D} -3 *4 H u0 {1,S} -4 *1 O u1 {5,S} -5 O u0 {4,S} +1 *2 C u0 r0 {2,D} {3,S} +2 *3 C u1 r0 {1,D} {6,S} +3 *4 H u0 r0 {1,S} +4 *1 O u[1,2,3,4] r0 {5,S} +5 O u1 r0 {4,S} +6 [O,Si,S,N,P,F,I,Br,Cl] u0 r0 {2,S} """, kinetics = None, ) entry( index = 145, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C", + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_1R!H->C", group = """ -1 *2 C u0 {2,D} {3,S} -2 *3 N u1 {1,D} -3 *4 H u0 r0 {1,S} -4 *1 O u1 {5,S} -5 O u0 r0 {4,S} +1 *2 C u0 {2,[B,D]} {3,S} +2 *3 R!H u[1,2] {1,[B,D]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 146, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C", + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_N-1R!H->C", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 N u1 {1,D} -3 *4 H u0 r0 {1,S} -4 *1 O u1 {5,S} -5 O u0 r0 {4,S} +1 *2 N u0 {2,[B,D]} {3,S} +2 *3 R!H u[1,2] {1,[B,D]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] {5,[S,D,T,B,Q]} +5 O u[1,2,3] {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 147, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0", + label = "Root_4R->C", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u1 {5,[S,D,T,B]} -5 O u[1,2,3] {4,[S,D,T,B]} +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 148, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS", + label = "Root_4R->C_Ext-1R!H-R", group = """ -1 *2 [C,N,S] u0 r0 {2,S} {3,S} -2 *3 R!H u1 r0 {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 r0 {5,[S,D,T,B]} -5 O u1 {4,[S,D,T,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 149, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS", + label = "Root_4R->C_Ext-1R!H-R_4C-u1", group = """ -1 *2 [C,N,S] u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 O u1 {5,S} -5 O u[1,2,3] {4,S} +1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u1 +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 150, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H", group = """ -1 *2 C u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 r0 {1,S} -4 *1 O u1 {5,S} -5 O u[1,2,3] r0 {4,S} +1 *2 C u0 {2,S} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 151, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 r0 {1,S} -4 *1 O u1 {5,S} -5 O u[1,2,3] r0 {4,S} +1 *2 C u0 {2,S} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 152, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H", group = """ -1 *2 [C,N,S] u0 {2,S} {3,S} -2 *3 R!H u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} {5,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 +5 C ux {1,S} """, kinetics = None, ) entry( index = 153, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H_Ext-1R!H-R", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} +1 *2 C u0 r0 {2,S} {3,S} {5,S} {6,[S,D,T,B,Q]} +2 *3 C u1 r0 {1,S} 3 *4 H u0 {1,S} -4 *1 O u1 +4 *1 C u1 r0 +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 154, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_N-Sp-5C-1R!H", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 C u1 {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} {5,D} +2 *3 C u[1,2] {1,S} +3 *4 H u0 r0 {1,S} +4 *1 C u1 +5 C ux {1,D} """, kinetics = None, ) entry( index = 155, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 [N,O] u1 {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} {5,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 +5 F ux {1,S} """, kinetics = None, ) entry( index = 156, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 R!H u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} {5,S} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 C u1 +5 F ux {1,S} +6 F ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 157, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 N u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} {5,S} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} {7,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u1 +5 F ux {1,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 158, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 N u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 +1 *2 C u0 {2,S} {3,S} {5,S} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 +5 F ux {1,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 159, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_N-2N-u1", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 N u2 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 +1 *2 C u0 {2,S} {3,S} {5,S} +2 *3 C u1 {1,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u1 +5 F u0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 160, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 [C,O] u1 {1,S} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 r0 {2,S} {3,S} {5,S} +2 *3 C u1 r0 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 +5 F u0 r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 161, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_2CO->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 +1 *2 C u0 {2,D} {3,S} {5,S} +2 *3 C u1 {1,D} +3 *4 H u0 {1,S} +4 *1 C u1 +5 R!H u0 {1,S} """, kinetics = None, ) entry( index = 162, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_5R!H->C", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 O u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 +1 *2 C u0 r0 {2,D} {3,S} {5,S} +2 *3 C u1 r0 {1,D} +3 *4 H u0 {1,S} +4 *1 C u1 r0 +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 163, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS", + label = "Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_N-5R!H->C", group = """ -1 *2 [C,N,S] u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 r0 {2,D} {3,S} {5,S} +2 *3 C u1 r0 {1,D} +3 *4 H u0 {1,S} +4 *1 C u1 r0 +5 F u0 r0 {1,S} """, kinetics = None, ) entry( index = 164, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C", + label = "Root_4R->C_Ext-1R!H-R_N-4C-u1", group = """ -1 *2 C u0 r0 {2,D} {3,S} -2 *3 R!H u1 r0 {1,D} -3 *4 H u0 r0 {1,S} -4 *1 O u1 r0 +1 *2 C u0 r0 {2,[S,D,B]} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u1 r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u2 r0 +5 R!H u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 165, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C", + label = "Root_4R->C_2R!H->C", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 166, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C", + label = "Root_4R->C_2R!H->C_Ext-2C-R", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 C u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u1 +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 167, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C", + label = "Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 N u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 O u1 +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 C u1 +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 168, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O", + label = "Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H_Ext-2C-R", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 169, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R", + label = "Root_4R->C_2R!H->C_Ext-2C-R_N-Sp-2C-1R!H", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} +1 *2 C u0 {2,D} {3,S} +2 *3 C u[1,2] {1,D} {5,S} +3 *4 H u0 {1,S} +4 *1 C u1 +5 R!H u0 r0 {2,S} """, kinetics = None, ) entry( index = 170, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS", + label = "Root_4R->C_2R!H->C_1R!H->N", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u1 {1,[S,D,B]} -3 *4 H u0 r0 {1,S} -4 *1 [C,N,S] u1 {5,T} -5 R!H u0 r0 {4,T} +1 *2 N u0 {2,[S,D,B]} {3,S} +2 *3 C u1 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u1 """, kinetics = None, ) entry( index = 171, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS", + label = "Root_4R->C_2R!H->C_1R!H->N_Sp-2C-1N", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 {5,[S,D,B]} -5 R!H ux {4,[S,D,B]} +1 *2 N u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 """, kinetics = None, ) entry( index = 172, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_2R!H->S", + label = "Root_4R->C_2R!H->C_1R!H->N_N-Sp-2C-1N", group = """ -1 *2 [C,N,S] u0 r0 {2,[S,D,B]} {3,S} -2 *3 S u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 r0 {5,[S,D,B]} -5 R!H ux {4,[S,D,B]} +1 *2 N u0 r0 {2,D} {3,S} +2 *3 C u1 r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 """, kinetics = None, ) entry( index = 173, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S", + label = "Root_4R->C_2R!H->C_N-1R!H->N", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 [C,N] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 {5,[S,D,B]} -5 R!H ux {4,[S,D,B]} +1 *2 [C,O] u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 174, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O", + label = "Root_4R->C_2R!H->C_N-1R!H->N_1CO->C", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 [C,N] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 {5,[S,D,B]} -5 O ux {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 175, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C", + label = "Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_4C-u1", group = """ -1 *2 C u0 r0 {2,[S,D,B]} {3,S} -2 *3 [C,N] u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 r0 {5,[S,D,B]} -5 O ux {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u1 """, kinetics = None, ) entry( index = 176, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C", + label = "Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_N-4C-u1", group = """ -1 *2 [N,S] u0 r0 {2,[S,D,B]} {3,S} -2 *3 [C,N] u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 r0 {5,[S,D,B]} -5 O ux {4,[S,D,B]} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u2 """, kinetics = None, ) entry( index = 177, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O", + label = "Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 {5,[S,D,B]} -5 [C,S] ux {4,[S,D,B]} +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 178, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS", + label = "Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_4C-u1", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 {5,S} -5 [C,S] ux {4,S} +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u1 """, kinetics = None, ) entry( index = 179, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R", + label = "Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_N-4C-u1", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 C u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 {5,S} {6,[S,D,T,B]} -5 C ux {4,S} -6 R!H ux {4,[S,D,T,B]} +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u2 """, kinetics = None, ) entry( index = 180, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R", + label = "Root_4R->C_N-2R!H->C", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 C u[1,2] r0 {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 r0 {5,S} {6,[S,D,T,B]} {7,[S,D,T,B]} -5 C ux {4,S} -6 R!H ux {4,[S,D,T,B]} -7 R!H ux {4,[S,D,T,B]} +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 [O,N] u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 181, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C", + label = "Root_4R->C_N-2R!H->C_1R!H->C", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 C u1 {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 {5,S} -5 C u0 {4,S} +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 N u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 182, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R", + label = "Root_4R->C_N-2R!H->C_1R!H->C_Sp-2NO-1C", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 {5,S} -5 C u0 r0 {4,S} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} +1 *2 C u0 {2,S} {3,S} +2 *3 N u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 183, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_N-1CNS->C", + label = "Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C", group = """ -1 *2 S u0 {2,[S,D,B]} {3,S} -2 *3 C u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 {5,S} -5 [C,S] ux {4,S} +1 *2 C u0 {2,D} {3,S} +2 *3 N u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 C u1 """, kinetics = None, ) entry( index = 184, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS", + label = "Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C_Ext-2NO-R", group = """ -1 *2 [C,N,S] u0 r0 {2,S} {3,S} -2 *3 C u[1,2] r0 {1,S} -3 *4 H u0 {1,S} -4 *1 [C,N,S] u1 r0 {5,D} -5 [C,S] ux {4,D} +1 *2 C u0 r0 {2,D} {3,S} +2 *3 N u[1,2] r0 {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 185, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C", + label = "Root_4R->C_N-2R!H->C_N-1R!H->C", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 [O,N] u0 {2,[S,D,B]} {3,S} +2 *3 [O,N] u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 186, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C", + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1", group = """ -1 *2 C u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 [O,N] u0 {2,[S,D,B]} {3,S} +2 *3 [O,N] u1 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 187, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C", + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_1NO->O", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 R!H u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 O u0 r0 {2,[S,D,B]} {3,S} +2 *3 [O,N] u1 r0 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 C u1 r0 """, kinetics = None, ) entry( index = 188, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C", + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 C u[1,2] r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 +1 *2 N u0 {2,S} {3,S} +2 *3 [O,N] u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 189, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_N-2R!H->C", + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_2NO->O", group = """ -1 *2 C u0 r0 {2,S} {3,S} -2 *3 N u[1,2] r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 +1 *2 N u0 {2,S} {3,S} +2 *3 O u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 190, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_N-Sp-2R!H-1C", + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_N-2NO->O", group = """ -1 *2 C u0 {2,D} {3,S} -2 *3 R!H u1 {1,D} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 N u0 {2,S} {3,S} +2 *3 N u1 {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 191, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C", + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_N-2NO-u1", group = """ -1 *2 N u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 [O,N] u0 {2,S} {3,S} +2 *3 [O,N] u2 {1,S} +3 *4 H u0 {1,S} +4 *1 C u[1,2,3,4] """, kinetics = None, ) entry( index = 192, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C", + label = "Root_N-4R->C", group = """ -1 *2 N u0 {2,[S,D,B]} {3,S} -2 *3 C u1 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,H,S,N,F,Br,Cl] u[1,2,3,4] """, kinetics = None, ) entry( index = 193, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_Sp-2C-1N", + label = "Root_N-4R->C_4BrClFHNOS->N", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 C u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 194, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_N-Sp-2C-1N", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1", group = """ -1 *2 N u0 r0 {2,D} {3,S} -2 *3 C u1 r0 {1,D} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u1 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 195, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Ext-2R!H-R", group = """ -1 *2 N u0 {2,[S,D,B]} {3,S} -2 *3 [N,O] u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u1 {1,[S,D,B]} {5,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 N u[1,2,3,4] +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 196, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H", group = """ -1 *2 N u0 {2,[S,D,B]} {3,S} -2 *3 [N,O] u1 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 R!H u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 197, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N", group = """ -1 *2 N u0 {2,[S,D,B]} {3,S} -2 *3 N u1 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 N u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 198, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_2R!H->O", group = """ -1 *2 N u0 {2,[S,D,B]} {3,S} -2 *3 O u1 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 C u1 +1 *2 N u0 {2,S} {3,S} +2 *3 O u1 {1,S} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 199, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_N-2NO-u1", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_N-2R!H->O", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 [N,O] u2 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u1 r0 +1 *2 N u0 {2,S} {3,S} +2 *3 N u1 {1,S} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 200, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 O u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 201, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_2R!H->O", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 R!H u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 O u0 {2,S} {3,S} +2 *3 O u1 {1,S} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 202, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_N-2R!H->O", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 N u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 O u0 {2,S} {3,S} +2 *3 N u1 {1,S} +3 *4 H u0 {1,S} +4 *1 N u[1,2,3,4] """, kinetics = None, ) entry( index = 203, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 N u1 r0 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 N u1 r0 +1 *2 R!H u0 {2,D} {3,S} +2 *3 N u1 {1,D} +3 *4 H u0 {1,S} +4 *1 N u1 """, kinetics = None, ) entry( index = 204, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_N-2N-u1", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_1R!H->C", group = """ -1 *2 N u0 r0 {2,S} {3,S} -2 *3 N u2 r0 {1,S} +1 *2 C u0 r0 {2,D} {3,S} +2 *3 N u1 r0 {1,D} 3 *4 H u0 r0 {1,S} 4 *1 N u1 r0 """, @@ -2919,202 +3026,1916 @@ entry( index = 205, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N", + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_N-1R!H->C", group = """ -1 *2 N u0 {2,S} {3,S} -2 *3 O u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 [O,N] u0 r0 {2,D} {3,S} +2 *3 N u1 r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 N u1 r0 """, kinetics = None, ) entry( index = 206, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS", + label = "Root_N-4R->C_4BrClFHNOS->N_N-2R!H-u1", group = """ -1 *2 [C,N,S] u0 {2,D} {3,S} -2 *3 N u1 {1,D} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 R!H u0 r0 {2,[S,D,B]} {3,S} +2 *3 R!H u2 r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 N u1 r0 """, kinetics = None, ) entry( index = 207, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_1CNS->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N", group = """ -1 *2 C u0 {2,D} {3,S} -2 *3 N u1 {1,D} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 R!H u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,H,F,Br,Cl] u[1,2,3,4] """, kinetics = None, ) entry( index = 208, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_N-1CNS->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 N u1 {1,D} -3 *4 H u0 {1,S} -4 *1 N u1 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,H,F,Br,Cl] u[1,2,3,4] """, kinetics = None, ) entry( index = 209, - label = "Root_N-4R->H_N-4CNOS-u1", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_4BrClFHO->Cl", group = """ -1 *2 R!H u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u2 +1 *2 O u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 Cl u[1,2,3,4] """, kinetics = None, ) entry( index = 210, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u2 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,F,H,Br] u[1,2,3,4] """, kinetics = None, ) entry( index = 211, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C", group = """ -1 *2 O u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 C u2 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,F,H,Br] u[1,2,3,4] """, kinetics = None, ) entry( index = 212, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1", group = """ -1 *2 O u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u2 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,F,H,Br] u1 """, kinetics = None, ) entry( index = 213, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_4BrFHO->F", group = """ 1 *2 O u0 r0 {2,[S,D,B]} {3,S} 2 *3 C u[1,2] r0 {1,[S,D,B]} 3 *4 H u0 {1,S} -4 *1 O u2 r0 +4 *1 F u1 r0 """, kinetics = None, ) entry( index = 214, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F", group = """ -1 *2 O u0 r0 {2,[S,D,B]} {3,S} -2 *3 N u[1,2] r0 {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 O u2 r0 +1 *2 O u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 [O,H] u1 """, kinetics = None, ) entry( index = 215, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_4HO->O", group = """ -1 *2 [C,N,S] u0 {2,[S,D,B]} {3,S} -2 *3 R!H u[1,2] {1,[S,D,B]} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u2 +1 *2 O u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 """, kinetics = None, ) entry( index = 216, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_N-4HO->O", group = """ -1 *2 [C,N,S] u0 {2,S} {3,S} -2 *3 R!H u[1,2] {1,S} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u2 +1 *2 O u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 """, kinetics = None, ) entry( index = 217, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_N-4BrFHO-u1", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 R!H u1 {1,S} -3 *4 H u0 {1,S} -4 *1 [C,O,N,S] u2 +1 *2 O u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 [O,F,H,Br] u2 """, kinetics = None, ) entry( index = 218, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 C u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 [C,O,N,S] u2 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 N u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,F,H,Br] u[1,2,3,4] """, kinetics = None, ) entry( index = 219, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C", + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O", group = """ -1 *2 C u0 {2,S} {3,S} -2 *3 [N,O] u1 {1,S} -3 *4 H u0 r0 {1,S} -4 *1 [C,O,N,S] u2 +1 *2 O u0 {2,[S,D,B]} {3,S} +2 *3 N u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 220, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_4O-u1", + group = +""" +1 *2 O u0 r0 {2,[S,D,B]} {3,S} +2 *3 N u[1,2] r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 O u1 r0 +""", + kinetics = None, +) + +entry( + index = 221, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_N-4O-u1", + group = +""" +1 *2 O u0 r0 {2,[S,D,B]} {3,S} +2 *3 N u[1,2] r0 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 O u2 r0 +""", + kinetics = None, +) + +entry( + index = 222, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_N-4BrFHO->O", + group = +""" +1 *2 O u0 {2,S} {3,S} +2 *3 N u1 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 [F,H] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 223, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O", + group = +""" +1 *2 [C,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,H,F,Br,Cl] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 224, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 225, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 226, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_5R!H->O", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {5,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 Cl u[1,2,3,4] +5 O u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 227, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 Cl ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 228, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u1 {1,[S,D,B]} {5,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u1 +5 Cl ux {2,S} +6 Cl ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 229, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {7,[S,D,T,B,Q]} +2 *3 C u1 {1,[S,D,B]} {5,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u1 +5 Cl ux {2,S} +6 Cl ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 230, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R_Ext-1CN-R", + group = +""" +1 *2 C u0 r0 {2,[S,D,B]} {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *3 C u1 r0 {1,[S,D,B]} {5,S} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u1 r0 +5 Cl ux {2,S} +6 Cl ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 231, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 Cl ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 232, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 Cl ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 233, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 Cl ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 234, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 {1,S} +4 *1 Cl u1 +5 Cl u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 235, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN_Ext-1CN-R", + group = +""" +1 *2 C u0 r0 {2,D} {3,S} {6,[S,D,T,B,Q]} +2 *3 C u1 r0 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 Cl u1 r0 +5 Cl u0 r0 {2,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 236, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 237, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN", + group = +""" +1 *2 C u0 {2,S} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 238, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,S} {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 239, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_N-Sp-2R!H-1CN", + group = +""" +1 *2 C u0 r0 {2,D} {3,S} {5,S} +2 *3 C u1 r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 Cl u1 r0 +5 Cl u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 240, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_2R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 241, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_N-2R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 O u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 242, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl", + group = +""" +1 *2 [C,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,F,H,Br] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 243, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1", + group = +""" +1 *2 [C,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,F,H,Br] u1 +""", + kinetics = None, +) + +entry( + index = 244, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 F u1 +""", + kinetics = None, +) + +entry( + index = 245, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 F u1 +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 246, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 F u1 +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 247, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_5R!H->C", + group = +""" +1 *2 C u0 {2,D} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 F u1 +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 248, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_N-5R!H->C", + group = +""" +1 *2 C u0 {2,D} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 F u1 +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 249, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 C u[1,2] {1,[S,D,B]} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 F u1 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 250, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 F u1 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 251, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 F u1 +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 252, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN", + group = +""" +1 *2 C u0 r0 {2,D} {3,S} +2 *3 C u1 r0 {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 F u1 r0 +5 R!H u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 253, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_2R!H->C", + group = +""" +1 *2 C u0 r0 {2,D} {3,S} +2 *3 C u1 r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 F u1 r0 +""", + kinetics = None, +) + +entry( + index = 254, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_N-2R!H->C", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 O u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 F u1 +""", + kinetics = None, +) + +entry( + index = 255, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F", + group = +""" +1 *2 [C,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,H,Br] u1 +""", + kinetics = None, +) + +entry( + index = 256, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 [O,H,Br] u1 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 257, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 [O,H,Br] u1 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 258, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 259, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} +2 *3 C u1 {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 260, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *3 C u1 {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 261, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,S} {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *3 C u1 {1,S} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 O u1 +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 262, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-2R!H-R", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} {6,S} +2 *3 C u1 r0 {1,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +5 R!H ux {2,[S,D,T,B,Q]} +6 F u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 263, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} {5,S} +3 *4 H u0 {1,S} +4 *1 O u1 +5 F u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 264, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F_Ext-2R!H-R", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u1 r0 {1,S} {5,S} {6,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +5 F u0 r0 {2,S} +6 F u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 265, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_N-5R!H->F", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 +5 Cl ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 266, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 H u1 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 267, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *4 H u0 r0 {1,S} +4 *1 H u1 +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 268, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 [O,H,Br] u1 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 269, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 {1,S} +4 *1 O u1 +5 Cl u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 270, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,D} {3,S} {6,[S,D,T,B,Q]} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 +5 Cl u0 r0 {2,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 271, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 [O,H,Br] u1 +5 [C,F,O] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 272, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 +5 [C,F,O] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 273, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,D} {3,S} {6,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 {1,S} +4 *1 O u1 +5 [C,F,O] u0 {2,S} +6 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 274, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_5CFO->C", + group = +""" +1 *2 C u0 {2,D} {3,S} {6,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 +5 C u0 r0 {2,S} +6 R!H u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 275, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_N-5CFO->C", + group = +""" +1 *2 C u0 {2,D} {3,S} {6,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 +5 [O,F] u0 r0 {2,S} +6 R!H u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 276, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_2R!H->C", + group = +""" +1 *2 C u0 r0 {2,D} {3,S} +2 *3 C u1 r0 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +5 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 277, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_N-2R!H->C", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 N u[1,2] {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u1 +5 [C,F,O] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 278, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 H u1 +5 [C,F,O] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 279, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,D} {3,S} {6,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 {1,S} +4 *1 H u1 +5 [C,F,O] u0 {2,S} +6 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 280, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_5CFO->C", + group = +""" +1 *2 C u0 {2,D} {3,S} {6,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 +5 C u0 r0 {2,S} +6 R!H u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 281, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_N-5CFO->C", + group = +""" +1 *2 C u0 {2,D} {3,S} {6,S} +2 *3 C u1 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 +5 [O,F] u0 r0 {2,S} +6 R!H u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 282, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_2R!H->C", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 C u[1,2] {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 H u1 +5 [C,F,O] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 283, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_N-2R!H->C", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 N u[1,2] {1,D} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 H u1 +5 [C,F,O] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 284, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,H,Br] u1 +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 285, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,H,Br] u1 +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 286, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,S} +2 *3 C u1 {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 O u1 +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 287, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN", + group = +""" +1 *2 C u0 {2,S} {3,S} {5,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 288, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} {5,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 289, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C_Ext-1CN-R", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} {5,S} {6,[S,D,T,B,Q]} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 290, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} {5,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +5 F u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 291, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C_Ext-1CN-R", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} {5,S} {6,S} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +5 F u0 r0 {1,S} +6 F u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 292, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_N-Sp-2R!H-1CN", + group = +""" +1 *2 C u0 r0 {2,D} {3,S} {5,S} +2 *3 C u1 r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +5 R!H u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 293, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 H u1 +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 294, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,S} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 H u1 +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 295, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C_Ext-1CN-R", + group = +""" +1 *2 C u0 {2,[S,D,B]} {3,S} {5,S} {6,[S,D,T,B,Q]} +2 *3 C u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 H u1 +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 296, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_N-5R!H->C", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} {5,S} +2 *3 C u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 r0 +5 [F,Cl] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 297, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_N-Sp-5R!H-1CN", + group = +""" +1 *2 C u0 r0 {2,[S,D,B]} {3,S} {5,[B,D,T,Q]} +2 *3 C u1 r0 {1,[S,D,B]} +3 *4 H u0 r0 {1,S} +4 *1 [O,H,Br] u1 r0 +5 R!H u0 r0 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 298, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H", + group = +""" +1 *2 [C,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 299, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN", + group = +""" +1 *2 [C,N] u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 300, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1", + group = +""" +1 *2 [C,N] u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 301, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 302, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_2R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 303, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 [O,N] u1 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 304, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_2NO->O", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} +2 *3 O u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 305, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_N-2NO->O", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} +2 *3 N u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 306, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 R!H u1 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 307, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_2R!H->C", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 308, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 [O,N] u1 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 309, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_2NO->O", + group = +""" +1 *2 N u0 r0 {2,S} {3,S} +2 *3 O u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 310, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_N-2NO->O", + group = +""" +1 *2 N u0 r0 {2,S} {3,S} +2 *3 N u1 r0 {1,S} +3 *4 H u0 r0 {1,S} +4 *1 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 311, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_N-2R!H-u1", + group = +""" +1 *2 [C,N] u0 {2,S} {3,S} +2 *3 R!H u2 {1,S} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 312, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN", + group = +""" +1 *2 [C,N] u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 313, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_1CN->C", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 R!H u1 {1,D} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 314, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C", + group = +""" +1 *2 N u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 H u1 +""", + kinetics = None, +) + +entry( + index = 315, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C", + group = +""" +1 *2 N u0 r0 {2,D} {3,S} +2 *3 C u[1,2] r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 316, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", + group = +""" +1 *2 N u0 r0 {2,D} {3,S} +2 *3 N u[1,2] r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 317, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H", + group = +""" +1 *2 [C,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 [O,Br] u1 +""", + kinetics = None, +) + +entry( + index = 318, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN", + group = +""" +1 *2 [C,N] u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 [O,Br] u1 +""", + kinetics = None, +) + +entry( + index = 319, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 [O,Br] u1 +""", + kinetics = None, +) + +entry( + index = 320, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 [O,Br] u1 +""", + kinetics = None, +) + +entry( + index = 321, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_4BrO->O", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 """, kinetics = None, ) entry( - index = 220, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C", + index = 322, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_N-4BrO->O", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 Br u1 +""", + kinetics = None, +) + +entry( + index = 323, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 [O,N] u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 [O,Br] u1 +""", + kinetics = None, +) + +entry( + index = 324, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_2NO->O", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 O u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 [O,Br] u1 +""", + kinetics = None, +) + +entry( + index = 325, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_N-2NO->O", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 N u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 [O,Br] u1 +""", + kinetics = None, +) + +entry( + index = 326, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 327, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 N u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 328, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_2N-u1", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 N u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 329, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_N-2N-u1", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 N u2 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 330, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 [C,O] u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 331, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_2CO->C", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 C u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 332, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_N-2CO->C", + group = +""" +1 *2 N u0 {2,S} {3,S} +2 *3 O u1 {1,S} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 333, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN", + group = +""" +1 *2 [C,N] u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 334, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_1CN->C", + group = +""" +1 *2 C u0 {2,D} {3,S} +2 *3 R!H u1 {1,D} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 335, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C", + group = +""" +1 *2 N u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 O u1 +""", + kinetics = None, +) + +entry( + index = 336, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C", + group = +""" +1 *2 N u0 r0 {2,D} {3,S} +2 *3 C u[1,2] r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +""", + kinetics = None, +) + +entry( + index = 337, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", + group = +""" +1 *2 N u0 r0 {2,D} {3,S} +2 *3 N u[1,2] r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 O u1 r0 +""", + kinetics = None, +) + +entry( + index = 338, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1", + group = +""" +1 *2 [C,N] u0 {2,[S,D,B]} {3,S} +2 *3 R!H u[1,2] {1,[S,D,B]} +3 *4 H u0 {1,S} +4 *1 O u2 +""", + kinetics = None, +) + +entry( + index = 339, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN", + group = +""" +1 *2 [C,N] u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u2 +""", + kinetics = None, +) + +entry( + index = 340, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u2 +""", + kinetics = None, +) + +entry( + index = 341, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R", + group = +""" +1 *2 C u0 {2,S} {3,S} +2 *3 C u[1,2] {1,S} {5,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u2 +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 342, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *2 C u0 r0 {2,S} {3,S} +2 *3 C u[1,2] r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *4 H u0 {1,S} +4 *1 O u2 r0 +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 343, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-1C-R", + group = +""" +1 *2 C u0 {2,S} {3,S} {5,[S,D,T,B,Q]} +2 *3 R!H u[1,2] {1,S} +3 *4 H u0 {1,S} +4 *1 O u2 +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 344, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C", group = """ 1 *2 N u0 {2,S} {3,S} @@ -3126,8 +4947,8 @@ ) entry( - index = 221, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->C", + index = 345, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_2R!H->C", group = """ 1 *2 N u0 {2,S} {3,S} @@ -3139,12 +4960,12 @@ ) entry( - index = 222, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C", + index = 346, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", group = """ 1 *2 N u0 {2,S} {3,S} -2 *3 [N,O] u[1,2] {1,S} +2 *3 [O,N] u[1,2] {1,S} 3 *4 H u0 {1,S} 4 *1 O u2 """, @@ -3152,12 +4973,12 @@ ) entry( - index = 223, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1", + index = 347, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1", group = """ 1 *2 N u0 {2,S} {3,S} -2 *3 [N,O] u1 {1,S} +2 *3 [O,N] u1 {1,S} 3 *4 H u0 {1,S} 4 *1 O u2 """, @@ -3165,12 +4986,12 @@ ) entry( - index = 224, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N", + index = 348, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_2NO->O", group = """ 1 *2 N u0 {2,S} {3,S} -2 *3 N u1 {1,S} +2 *3 O u1 {1,S} 3 *4 H u0 r0 {1,S} 4 *1 O u2 """, @@ -3178,12 +4999,12 @@ ) entry( - index = 225, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N", + index = 349, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_N-2NO->O", group = """ 1 *2 N u0 {2,S} {3,S} -2 *3 O u1 {1,S} +2 *3 N u1 {1,S} 3 *4 H u0 r0 {1,S} 4 *1 O u2 """, @@ -3191,12 +5012,12 @@ ) entry( - index = 226, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_N-2NO-u1", + index = 350, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_N-2NO-u1", group = """ 1 *2 N u0 r0 {2,S} {3,S} -2 *3 [N,O] u2 r0 {1,S} +2 *3 [O,N] u2 r0 {1,S} 3 *4 H u0 {1,S} 4 *1 O u2 r0 """, @@ -3204,37 +5025,38 @@ ) entry( - index = 227, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS", + index = 351, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN", group = """ -1 *2 [C,N,S] u0 {2,D} {3,S} -2 *3 R!H u[1,2] {1,D} -3 *4 H u0 {1,S} -4 *1 O u2 +1 *2 [C,N] u0 {2,D} {3,S} +2 *3 R!H u[1,2] {1,D} +3 *4 H u0 {1,S} +4 *1 O u2 """, kinetics = None, ) entry( - index = 228, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C", + index = 352, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_Ext-2R!H-R", group = """ -1 *2 C u0 r0 {2,D} {3,S} -2 *3 R!H u1 r0 {1,D} -3 *4 H u0 {1,S} -4 *1 O u2 r0 +1 *2 C u0 r0 {2,D} {3,S} +2 *3 C u1 r0 {1,D} {5,S} +3 *4 H u0 r0 {1,S} +4 *1 O u2 r0 +5 C u0 r0 {2,S} """, kinetics = None, ) entry( - index = 229, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C", + index = 353, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_1CN->C", group = """ -1 *2 N u0 {2,D} {3,S} +1 *2 C u0 {2,D} {3,S} 2 *3 R!H u[1,2] {1,D} 3 *4 H u0 {1,S} 4 *1 O u2 @@ -3243,27 +5065,40 @@ ) entry( - index = 230, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C", + index = 354, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 C u[1,2] {1,D} -3 *4 H u0 r0 {1,S} -4 *1 O u2 +1 *2 N u0 {2,D} {3,S} +2 *3 R!H u1 {1,D} +3 *4 H u0 {1,S} +4 *1 O u2 """, kinetics = None, ) entry( - index = 231, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C", + index = 355, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C", group = """ -1 *2 N u0 {2,D} {3,S} -2 *3 N u[1,2] {1,D} -3 *4 H u0 r0 {1,S} -4 *1 O u2 +1 *2 N u0 r0 {2,D} {3,S} +2 *3 C u1 r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 O u2 r0 +""", + kinetics = None, +) + +entry( + index = 356, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", + group = +""" +1 *2 N u0 r0 {2,D} {3,S} +2 *3 N u1 r0 {1,D} +3 *4 H u0 r0 {1,S} +4 *1 O u2 r0 """, kinetics = None, ) @@ -3271,237 +5106,362 @@ tree( """ L1: Root - L2: Root_Ext-1R!H-R - L3: Root_Ext-1R!H-R_4R->O - L4: Root_Ext-1R!H-R_4R->O_Ext-4O-R - L5: Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H - L6: Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R - L7: Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R - L8: Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-8R!H-R - L6: Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-1R!H-R - L5: Root_Ext-1R!H-R_4R->O_Ext-4O-R_N-Sp-5R!H-1R!H - L4: Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H - L5: Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H_Ext-1R!H-R - L4: Root_Ext-1R!H-R_4R->O_N-Sp-5R!H-1R!H - L3: Root_Ext-1R!H-R_N-4R->O - L4: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R - L5: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C - L6: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R - L7: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_Sp-7R!H#4C - L7: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C - L8: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C - L9: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R - L10: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R_Ext-4C-R - L9: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R - L9: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Sp-7C-4C - L9: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_N-Sp-7C-4C - L8: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C - L5: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C - L6: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H - L6: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H - L7: Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H_Ext-4S-R_Ext-7R!H-R - L4: Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H - L5: Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R - L6: Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R - L6: Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R - L7: Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R_Ext-4CHNS-R - L6: Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Sp-6R!H-4CHNS - L6: Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS - L4: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H - L5: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R - L6: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S - L7: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S_Ext-2R!H-R - L6: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S - L7: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C - L8: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C - L8: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C - L9: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C - L10: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing - L10: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing - L11: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R - L12: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C - L13: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C_Ext-4C-R - L12: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C - L13: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-6C-R - L11: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C - L12: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R - L11: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C - L9: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C - L7: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_N-4CHNS->C - L5: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C - L6: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 - L6: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_N-4C-u1 - L5: Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_N-4CHNS->C - L2: Root_Ext-2R!H-R - L3: Root_Ext-2R!H-R_2R!H->C - L4: Root_Ext-2R!H-R_2R!H->C_4R->C - L4: Root_Ext-2R!H-R_2R!H->C_N-4R->C - L3: Root_Ext-2R!H-R_N-2R!H->C - L4: Root_Ext-2R!H-R_N-2R!H->C_4R->H - L4: Root_Ext-2R!H-R_N-2R!H->C_N-4R->H - L5: Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_4CNO->O - L5: Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O - L6: Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_4CN->C - L6: Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_N-4CN->C - L2: Root_4R->H - L3: Root_4R->H_Sp-2R!H-1R!H - L4: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1 - L5: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O - L6: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C - L6: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C - L5: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O - L6: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C - L7: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_2R!H->C - L7: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C - L8: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_2NO->N - L8: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_N-2NO->N - L6: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C - L7: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_2R!H->C - L7: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C - L8: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N - L8: Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N - L4: Root_4R->H_Sp-2R!H-1R!H_N-2R!H-u1 - L3: Root_4R->H_N-Sp-2R!H-1R!H - L4: Root_4R->H_N-Sp-2R!H-1R!H_1R!H->C - L4: Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C - L5: Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_2R!H->C - L5: Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_N-2R!H->C - L2: Root_N-4R->H - L3: Root_N-4R->H_4CNOS-u1 - L4: Root_N-4R->H_4CNOS-u1_1R!H->O - L5: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C - L6: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R - L7: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C - L7: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R - L9: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R_Ext-4CNOS-R - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C - L9: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C - L10: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_5R!H->C - L10: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C - L9: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C - L9: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0 - L10: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C - L10: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C - L9: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 - L6: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C - L6: Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C - L5: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C - L6: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O - L7: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_N-2NOS->N - L6: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O - L7: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_4CN->C - L7: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R - L9: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_5R!H->N - L9: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N - L10: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_5BrCClFIOPSSi->C - L10: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_N-5BrCClFIOPSSi->C - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N - L8: Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_N-2NOS->N - L4: Root_N-4R->H_4CNOS-u1_N-1R!H->O - L5: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O - L6: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0 - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C - L6: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_N-2N-u1 - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_2CO->C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C - L6: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C - L5: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O - L6: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_2R!H->S - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS - L11: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R - L12: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R - L11: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C - L12: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R - L11: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_N-1CNS->C - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS - L6: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_N-2R!H->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_N-Sp-2R!H-1C - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_Sp-2C-1N - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_N-Sp-2C-1N - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1 - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N - L10: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_N-2NO-u1 - L6: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1 - L9: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N - L7: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_1CNS->C - L8: Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_N-1CNS->C - L3: Root_N-4R->H_N-4CNOS-u1 - L4: Root_N-4R->H_N-4CNOS-u1_1R!H->O - L5: Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C - L5: Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C - L6: Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C - L6: Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C - L4: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O - L5: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS - L6: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C - L7: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C - L7: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C - L6: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C - L7: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->C - L7: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C - L8: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1 - L9: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N - L9: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N - L8: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_N-2NO-u1 - L5: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS - L6: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C - L6: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C - L7: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C - L7: Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C + L2: Root_Ext-4R-R + L3: Root_Ext-4R-R_5R!H-u0 + L4: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R + L5: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S + L6: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S_Ext-2R!H-R + L5: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S + L6: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O + L7: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R + L9: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L7: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R_Ext-2R!H-R + L6: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O + L7: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-5BrCClFNO-R + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R + L9: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R_Ext-4CS-R + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Sp-5BrCClFNO-4BrCCClFNOS + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_N-Sp-5BrCClFNO-4BrCCClFNOS + L7: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C + L9: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C + L10: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_Ext-1R!H-R + L9: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C + L10: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O + L11: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O_Ext-1R!H-R + L10: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O + L11: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_1R!H-inRing + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_N-1R!H-inRing + L11: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-1R!H-R + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-2R!H-R + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_2R!H->C + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C + L13: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-5CF-R + L11: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Ext-5CF-R + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Sp-5CF-4C + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_N-Sp-5CF-4C + L11: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C + L12: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C_Ext-5CF-R + L11: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_N-Sp-5CF-4C + L8: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C + L9: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R + L10: Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R_Ext-5BrCClFNO-R + L4: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R + L5: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F + L6: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_Sp-2R!H-1R!H + L6: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_N-Sp-2R!H-1R!H + L5: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F + L6: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R + L7: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-4R-R + L7: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-2R!H-R + L6: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_4R->C + L6: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C + L7: Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C_Ext-2R!H-R + L4: Root_Ext-4R-R_5R!H-u0_4R->O + L5: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H + L6: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_5R!H->Br + L6: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br + L7: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_2R!H->C + L7: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C + L8: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_1R!H->C + L8: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C + L9: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O + L10: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_2NO->O + L10: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_N-2NO->O + L9: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O + L10: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_2NO->O + L10: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O + L11: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_2N-u1 + L11: Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_N-2N-u1 + L5: Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H + L6: Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_1R!H->C + L6: Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_N-1R!H->C + L4: Root_Ext-4R-R_5R!H-u0_N-4R->O + L5: Root_Ext-4R-R_5R!H-u0_N-4R->O_5R!H->N + L5: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N + L6: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O + L7: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS + L8: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_Ext-5BrCClOS-R + L8: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C + L9: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R + L10: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R_Ext-4CNS-R + L8: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C + L9: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_2R!H->C + L9: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_N-2R!H->C + L7: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS + L8: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C + L9: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C + L10: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_Sp-5C=4CNS + L10: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_N-Sp-5C=4CNS + L9: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_N-2R!H->C + L8: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C + L6: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O + L7: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_2R!H->O + L7: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O + L8: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS + L8: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS + L9: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_2CNS->S + L9: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S + L10: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O + L11: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_1CNS->C + L11: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_N-1CNS->C + L10: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O + L11: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS + L12: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R + L13: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R + L12: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C + L13: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R + L12: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_N-1CNS->C + L11: Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_N-Sp-5CS-4CCNSS + L3: Root_Ext-4R-R_N-5R!H-u0 + L4: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H + L5: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C + L6: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R + L7: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C + L8: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C + L9: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R + L10: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R + L11: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R_Ext-8R!H-R + L9: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-1C-R + L8: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_N-Sp-6C-1C + L7: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C + L8: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R + L9: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R + L10: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R_Ext-2R!H-R + L9: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-2R!H-R + L8: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C + L9: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C_Ext-1C-R + L8: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_N-2R!H->C + L6: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R + L7: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_6R!H->C + L7: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C + L8: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F + L9: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F_Ext-2R!H-R + L8: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_N-6BrClFINOPSSi->F + L5: Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_N-1R!H->C + L4: Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H + L5: Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R + L6: Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C + L7: Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C_Ext-1R!H-R + L6: Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_N-6R!H->C + L5: Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_1R!H->C + L5: Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_N-1R!H->C + L2: Root_4R->C + L3: Root_4R->C_Ext-1R!H-R + L4: Root_4R->C_Ext-1R!H-R_4C-u1 + L5: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H + L6: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C + L7: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H + L8: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H_Ext-1R!H-R + L7: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_N-Sp-5C-1R!H + L6: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C + L7: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R + L8: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R + L9: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L7: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R + L8: Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R_Ext-2R!H-R + L5: Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H + L6: Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_5R!H->C + L6: Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_N-5R!H->C + L4: Root_4R->C_Ext-1R!H-R_N-4C-u1 + L3: Root_4R->C_2R!H->C + L4: Root_4R->C_2R!H->C_Ext-2C-R + L5: Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H + L6: Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H_Ext-2C-R + L5: Root_4R->C_2R!H->C_Ext-2C-R_N-Sp-2C-1R!H + L4: Root_4R->C_2R!H->C_1R!H->N + L5: Root_4R->C_2R!H->C_1R!H->N_Sp-2C-1N + L5: Root_4R->C_2R!H->C_1R!H->N_N-Sp-2C-1N + L4: Root_4R->C_2R!H->C_N-1R!H->N + L5: Root_4R->C_2R!H->C_N-1R!H->N_1CO->C + L6: Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_4C-u1 + L6: Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_N-4C-u1 + L5: Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C + L6: Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_4C-u1 + L6: Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_N-4C-u1 + L3: Root_4R->C_N-2R!H->C + L4: Root_4R->C_N-2R!H->C_1R!H->C + L5: Root_4R->C_N-2R!H->C_1R!H->C_Sp-2NO-1C + L5: Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C + L6: Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C_Ext-2NO-R + L4: Root_4R->C_N-2R!H->C_N-1R!H->C + L5: Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1 + L6: Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_1NO->O + L6: Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O + L7: Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_2NO->O + L7: Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_N-2NO->O + L5: Root_4R->C_N-2R!H->C_N-1R!H->C_N-2NO-u1 + L2: Root_N-4R->C + L3: Root_N-4R->C_4BrClFHNOS->N + L4: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1 + L5: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Ext-2R!H-R + L5: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H + L6: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N + L7: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_2R!H->O + L7: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_N-2R!H->O + L6: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N + L7: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_2R!H->O + L7: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_N-2R!H->O + L5: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H + L6: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_1R!H->C + L6: Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_N-1R!H->C + L4: Root_N-4R->C_4BrClFHNOS->N_N-2R!H-u1 + L3: Root_N-4R->C_N-4BrClFHNOS->N + L4: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O + L5: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_4BrClFHO->Cl + L5: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl + L6: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C + L7: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1 + L8: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_4BrFHO->F + L8: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F + L9: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_4HO->O + L9: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_N-4HO->O + L7: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_N-4BrFHO-u1 + L6: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C + L7: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O + L8: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_4O-u1 + L8: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_N-4O-u1 + L7: Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_N-4BrFHO->O + L4: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O + L5: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl + L6: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_5R!H->O + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R_Ext-1CN-R + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R_Ext-1CN-R + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN_Ext-1CN-R + L6: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN_Ext-1CN-R + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_N-Sp-2R!H-1CN + L6: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_2R!H->C + L6: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_N-2R!H->C + L5: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl + L6: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1 + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_Ext-1CN-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_5R!H->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_N-5R!H->C + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_Ext-2R!H-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_2R!H->C + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_N-2R!H->C + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R_Ext-2R!H-R + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-2R!H-R + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F_Ext-2R!H-R + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_N-5R!H->F + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O_Ext-2R!H-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl_Ext-1CN-R + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_5CFO->C + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_N-5CFO->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_2R!H->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_N-2R!H->C + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_5CFO->C + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_N-5CFO->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_2R!H->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_N-2R!H->C + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C_Ext-1CN-R + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C_Ext-1CN-R + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_N-Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C_Ext-1CN-R + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_N-5R!H->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_N-Sp-5R!H-1CN + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1 + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_2R!H->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_2NO->O + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_N-2NO->O + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_2R!H->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_2NO->O + L13: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_N-2NO->O + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_N-2R!H-u1 + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_1CN->C + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_4BrO->O + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_N-4BrO->O + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_2NO->O + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_N-2NO->O + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_2N-u1 + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_N-2N-u1 + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_2CO->C + L12: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_N-2CO->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_1CN->C + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C + L6: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1 + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R_Ext-2R!H-R + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-1C-R + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_2R!H->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1 + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_2NO->O + L11: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_N-2NO->O + L10: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_N-2NO-u1 + L7: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_Ext-2R!H-R + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_1CN->C + L8: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C + L9: Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C """ ) diff --git a/input/kinetics/families/Disproportionation/rules.py b/input/kinetics/families/Disproportionation/rules.py index 0cf1510984..deb5ccaa51 100644 --- a/input/kinetics/families/Disproportionation/rules.py +++ b/input/kinetics/families/Disproportionation/rules.py @@ -9,3479 +9,5354 @@ entry( index = 1, label = "Root", - kinetics = ArrheniusBM(A=(211.065,'m^3/(mol*s)'), n=1.40533, w0=(576945,'J/mol'), E0=(16272,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.01126358049348453, var=2.2286817499296356, Tref=1000.0, N=137, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 137 training reactions at node Root - Total Standard Deviation in ln(k): 3.021123350230915"""), + kinetics = ArrheniusBM(A=(103.48,'m^3/(mol*s)'), n=1.50659, w0=(570.117,'kJ/mol'), E0=(1.98033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0015101924383256913, var=2.261329892268574, Tref=1000.0, N=261, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 261 training reactions at node Root + Total Standard Deviation in ln(k): 3.0184587063883126"""), rank = 11, - shortDesc = """BM rule fitted to 137 training reactions at node Root -Total Standard Deviation in ln(k): 3.021123350230915""", + shortDesc = """BM rule fitted to 261 training reactions at node Root +Total Standard Deviation in ln(k): 3.0184587063883126""", longDesc = """ -BM rule fitted to 137 training reactions at node Root -Total Standard Deviation in ln(k): 3.021123350230915 +BM rule fitted to 261 training reactions at node Root +Total Standard Deviation in ln(k): 3.0184587063883126 """, ) entry( index = 2, - label = "Root_Ext-1R!H-R", - kinetics = ArrheniusBM(A=(9445.08,'m^3/(mol*s)'), n=0.508694, w0=(543500,'J/mol'), E0=(-990.596,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.8021051701158732, var=30.01095873466917, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_Ext-1R!H-R',), comment="""BM rule fitted to 45 training reactions at node Root_Ext-1R!H-R - Total Standard Deviation in ln(k): 15.510294010456205"""), + label = "Root_Ext-4R-R", + kinetics = ArrheniusBM(A=(15.4556,'m^3/(mol*s)'), n=1.75695, w0=(569.306,'kJ/mol'), E0=(5.75579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08632617016562141, var=3.5844341832959157, Tref=1000.0, N=116, data_mean=0.0, correlation='Root_Ext-4R-R',), comment="""BM rule fitted to 116 training reactions at node Root_Ext-4R-R + Total Standard Deviation in ln(k): 4.012385057762079"""), rank = 11, - shortDesc = """BM rule fitted to 45 training reactions at node Root_Ext-1R!H-R -Total Standard Deviation in ln(k): 15.510294010456205""", + shortDesc = """BM rule fitted to 116 training reactions at node Root_Ext-4R-R +Total Standard Deviation in ln(k): 4.012385057762079""", longDesc = """ -BM rule fitted to 45 training reactions at node Root_Ext-1R!H-R -Total Standard Deviation in ln(k): 15.510294010456205 +BM rule fitted to 116 training reactions at node Root_Ext-4R-R +Total Standard Deviation in ln(k): 4.012385057762079 """, ) entry( index = 3, - label = "Root_Ext-2R!H-R", - kinetics = ArrheniusBM(A=(219.804,'m^3/(mol*s)'), n=1.42205, w0=(552000,'J/mol'), E0=(50333.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.07130535463745602, var=3.640669304482096, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-2R!H-R - Total Standard Deviation in ln(k): 4.004301565335125"""), + label = "Root_Ext-4R-R_5R!H-u0", + kinetics = ArrheniusBM(A=(19.0885,'m^3/(mol*s)'), n=1.79314, w0=(568.731,'kJ/mol'), E0=(17.7591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02463115459429821, var=2.497726017901461, Tref=1000.0, N=80, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0',), comment="""BM rule fitted to 80 training reactions at node Root_Ext-4R-R_5R!H-u0 + Total Standard Deviation in ln(k): 3.2302098725005757"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-2R!H-R -Total Standard Deviation in ln(k): 4.004301565335125""", + shortDesc = """BM rule fitted to 80 training reactions at node Root_Ext-4R-R_5R!H-u0 +Total Standard Deviation in ln(k): 3.2302098725005757""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_Ext-2R!H-R -Total Standard Deviation in ln(k): 4.004301565335125 +BM rule fitted to 80 training reactions at node Root_Ext-4R-R_5R!H-u0 +Total Standard Deviation in ln(k): 3.2302098725005757 """, ) entry( index = 4, - label = "Root_4R->H", - kinetics = ArrheniusBM(A=(17085.5,'m^3/(mol*s)'), n=1.00205, w0=(591750,'J/mol'), E0=(67061.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.007188943348771603, var=0.2709148414024463, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_4R->H',), comment="""BM rule fitted to 12 training reactions at node Root_4R->H - Total Standard Deviation in ln(k): 1.0615168637031318"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00219224,'m^3/(mol*s)'), n=2.46757, w0=(542.539,'kJ/mol'), E0=(-13.8595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.059031592274031, var=32.76287702330497, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R',), comment="""BM rule fitted to 38 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R + Total Standard Deviation in ln(k): 16.648322320083558"""), rank = 11, - shortDesc = """BM rule fitted to 12 training reactions at node Root_4R->H -Total Standard Deviation in ln(k): 1.0615168637031318""", + shortDesc = """BM rule fitted to 38 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R +Total Standard Deviation in ln(k): 16.648322320083558""", longDesc = """ -BM rule fitted to 12 training reactions at node Root_4R->H -Total Standard Deviation in ln(k): 1.0615168637031318 +BM rule fitted to 38 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R +Total Standard Deviation in ln(k): 16.648322320083558 """, ) entry( index = 5, - label = "Root_N-4R->H", - kinetics = ArrheniusBM(A=(93.1776,'m^3/(mol*s)'), n=1.4801, w0=(596905,'J/mol'), E0=(23.239,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.006180387938361382, var=2.098032515364293, Tref=1000.0, N=74, data_mean=0.0, correlation='Root_N-4R->H',), comment="""BM rule fitted to 74 training reactions at node Root_N-4R->H - Total Standard Deviation in ln(k): 2.919304514507989"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S", + kinetics = ArrheniusBM(A=(3.12126e-13,'m^3/(mol*s)'), n=4.70087, w0=(527,'kJ/mol'), E0=(23.5413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=10.076911631917183, var=348.0839247891389, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S + Total Standard Deviation in ln(k): 62.7212306030378"""), rank = 11, - shortDesc = """BM rule fitted to 74 training reactions at node Root_N-4R->H -Total Standard Deviation in ln(k): 2.919304514507989""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S +Total Standard Deviation in ln(k): 62.7212306030378""", longDesc = """ -BM rule fitted to 74 training reactions at node Root_N-4R->H -Total Standard Deviation in ln(k): 2.919304514507989 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S +Total Standard Deviation in ln(k): 62.7212306030378 """, ) entry( index = 6, - label = "Root_Ext-1R!H-R_4R->O", - kinetics = ArrheniusBM(A=(2.75017e+18,'m^3/(mol*s)'), n=-3.9301, w0=(563000,'J/mol'), E0=(80386.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.09276657605815747, var=3.011300276946607, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O',), comment="""BM rule fitted to 12 training reactions at node Root_Ext-1R!H-R_4R->O - Total Standard Deviation in ln(k): 3.711918376666456"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(644,'m^3/(mol*s)'), n=1.19, w0=(515,'kJ/mol'), E0=(36.7344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 12 training reactions at node Root_Ext-1R!H-R_4R->O -Total Standard Deviation in ln(k): 3.711918376666456""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 12 training reactions at node Root_Ext-1R!H-R_4R->O -Total Standard Deviation in ln(k): 3.711918376666456 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_5R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 7, - label = "Root_Ext-1R!H-R_N-4R->O", - kinetics = ArrheniusBM(A=(13564.2,'m^3/(mol*s)'), n=0.470009, w0=(536409,'J/mol'), E0=(-16264.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-2.1185860084328203, var=34.56885654617875, Tref=1000.0, N=33, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O',), comment="""BM rule fitted to 33 training reactions at node Root_Ext-1R!H-R_N-4R->O - Total Standard Deviation in ln(k): 17.10997764410757"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S", + kinetics = ArrheniusBM(A=(10877.4,'m^3/(mol*s)'), n=0.589799, w0=(543.403,'kJ/mol'), E0=(28.6444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.2425637496744053, var=13.627618112319603, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S',), comment="""BM rule fitted to 36 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S + Total Standard Deviation in ln(k): 13.0351828895765"""), rank = 11, - shortDesc = """BM rule fitted to 33 training reactions at node Root_Ext-1R!H-R_N-4R->O -Total Standard Deviation in ln(k): 17.10997764410757""", + shortDesc = """BM rule fitted to 36 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S +Total Standard Deviation in ln(k): 13.0351828895765""", longDesc = """ -BM rule fitted to 33 training reactions at node Root_Ext-1R!H-R_N-4R->O -Total Standard Deviation in ln(k): 17.10997764410757 +BM rule fitted to 36 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S +Total Standard Deviation in ln(k): 13.0351828895765 """, ) entry( index = 8, - label = "Root_Ext-2R!H-R_2R!H->C", - kinetics = ArrheniusBM(A=(4.08618e+20,'m^3/(mol*s)'), n=-4.37582, w0=(551000,'J/mol'), E0=(103613,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.2202160600853793, var=10.39330756070133, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-2R!H-R_2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-2R!H-R_2R!H->C - Total Standard Deviation in ln(k): 9.528865376815661"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O", + kinetics = ArrheniusBM(A=(175342,'m^3/(mol*s)'), n=-0.027872, w0=(563,'kJ/mol'), E0=(47.4839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018892675199703706, var=0.24976002132204894, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O',), comment="""BM rule fitted to 11 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O + Total Standard Deviation in ln(k): 1.0493553626809675"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-2R!H-R_2R!H->C -Total Standard Deviation in ln(k): 9.528865376815661""", + shortDesc = """BM rule fitted to 11 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O +Total Standard Deviation in ln(k): 1.0493553626809675""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-2R!H-R_2R!H->C -Total Standard Deviation in ln(k): 9.528865376815661 +BM rule fitted to 11 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O +Total Standard Deviation in ln(k): 1.0493553626809675 """, ) entry( index = 9, - label = "Root_Ext-2R!H-R_N-2R!H->C", - kinetics = ArrheniusBM(A=(1273.64,'m^3/(mol*s)'), n=1.17018, w0=(552500,'J/mol'), E0=(39987.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.05673151786327586, var=3.6789860426599743, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-2R!H-R_N-2R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-2R!H-R_N-2R!H->C - Total Standard Deviation in ln(k): 3.9877603244998157"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=-1.85597e-08, w0=(563,'kJ/mol'), E0=(35.9227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03771497472594962, var=0.007112095996123719, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.2638270549034027"""), rank = 11, - shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-2R!H-R_N-2R!H->C -Total Standard Deviation in ln(k): 3.9877603244998157""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.2638270549034027""", longDesc = """ -BM rule fitted to 4 training reactions at node Root_Ext-2R!H-R_N-2R!H->C -Total Standard Deviation in ln(k): 3.9877603244998157 +BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.2638270549034027 """, ) entry( index = 10, - label = "Root_4R->H_Sp-2R!H-1R!H", - kinetics = ArrheniusBM(A=(134417,'m^3/(mol*s)'), n=0.760068, w0=(591944,'J/mol'), E0=(73328,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.017301751919963533, var=0.2727982590527378, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_4R->H_Sp-2R!H-1R!H - Total Standard Deviation in ln(k): 1.090546729162876"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=-5.84445e-10, w0=(563,'kJ/mol'), E0=(36.3042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06258229369899201, var=0.011749630589917017, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.3745466319941149"""), rank = 11, - shortDesc = """BM rule fitted to 9 training reactions at node Root_4R->H_Sp-2R!H-1R!H -Total Standard Deviation in ln(k): 1.090546729162876""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.3745466319941149""", longDesc = """ -BM rule fitted to 9 training reactions at node Root_4R->H_Sp-2R!H-1R!H -Total Standard Deviation in ln(k): 1.090546729162876 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.3745466319941149 """, ) entry( index = 11, - label = "Root_4R->H_N-Sp-2R!H-1R!H", - kinetics = ArrheniusBM(A=(16039.5,'m^3/(mol*s)'), n=0.960818, w0=(591167,'J/mol'), E0=(59116.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.02977097333687675, var=0.0, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_4R->H_N-Sp-2R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H - Total Standard Deviation in ln(k): 0.07480144054491646"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=-4.70441e-09, w0=(563,'kJ/mol'), E0=(35.8355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H -Total Standard Deviation in ln(k): 0.07480144054491646""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H -Total Standard Deviation in ln(k): 0.07480144054491646 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 12, - label = "Root_N-4R->H_4CNOS-u1", - kinetics = ArrheniusBM(A=(33.2765,'m^3/(mol*s)'), n=1.57455, w0=(595677,'J/mol'), E0=(2495.51,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.005896437090739888, var=1.8220385479226, Tref=1000.0, N=62, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1',), comment="""BM rule fitted to 62 training reactions at node Root_N-4R->H_4CNOS-u1 - Total Standard Deviation in ln(k): 2.720864875743989"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.36447e+07,'m^3/(mol*s)'), n=-0.75107, w0=(563,'kJ/mol'), E0=(63.3156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04561619858759418, var=0.45758397502882403, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.470715677602948"""), rank = 11, - shortDesc = """BM rule fitted to 62 training reactions at node Root_N-4R->H_4CNOS-u1 -Total Standard Deviation in ln(k): 2.720864875743989""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.470715677602948""", longDesc = """ -BM rule fitted to 62 training reactions at node Root_N-4R->H_4CNOS-u1 -Total Standard Deviation in ln(k): 2.720864875743989 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.470715677602948 """, ) entry( index = 13, - label = "Root_N-4R->H_N-4CNOS-u1", - kinetics = ArrheniusBM(A=(9958.36,'m^3/(mol*s)'), n=1.02956, w0=(603250,'J/mol'), E0=(54279,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.03669059532945314, var=0.23702390055722886, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1',), comment="""BM rule fitted to 12 training reactions at node Root_N-4R->H_N-4CNOS-u1 - Total Standard Deviation in ln(k): 1.068194711584249"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(141421,'m^3/(mol*s)'), n=4.19996e-10, w0=(563,'kJ/mol'), E0=(42.6858,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.4197539171375903e-10, var=0.960906027802473, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.9651578859371874"""), rank = 11, - shortDesc = """BM rule fitted to 12 training reactions at node Root_N-4R->H_N-4CNOS-u1 -Total Standard Deviation in ln(k): 1.068194711584249""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9651578859371874""", longDesc = """ -BM rule fitted to 12 training reactions at node Root_N-4R->H_N-4CNOS-u1 -Total Standard Deviation in ln(k): 1.068194711584249 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_4R->O_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9651578859371874 """, ) entry( index = 14, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R", - kinetics = ArrheniusBM(A=(0.631851,'m^3/(mol*s)'), n=1.38334, w0=(563000,'J/mol'), E0=(4656.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.29630937279034325, var=1.3223468183437184, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Ext-4O-R',), comment="""BM rule fitted to 9 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R - Total Standard Deviation in ln(k): 3.0498077298705226"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O", + kinetics = ArrheniusBM(A=(9661,'m^3/(mol*s)'), n=0.617407, w0=(534.78,'kJ/mol'), E0=(27.2148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.95944732293745, var=18.480357678587453, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O',), comment="""BM rule fitted to 25 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O + Total Standard Deviation in ln(k): 16.05391012419437"""), rank = 11, - shortDesc = """BM rule fitted to 9 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R -Total Standard Deviation in ln(k): 3.0498077298705226""", + shortDesc = """BM rule fitted to 25 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O +Total Standard Deviation in ln(k): 16.05391012419437""", longDesc = """ -BM rule fitted to 9 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R -Total Standard Deviation in ln(k): 3.0498077298705226 +BM rule fitted to 25 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O +Total Standard Deviation in ln(k): 16.05391012419437 """, ) entry( index = 15, - label = "Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H", - kinetics = ArrheniusBM(A=(1.70765e+07,'m^3/(mol*s)'), n=4.66546e-07, w0=(563000,'J/mol'), E0=(56300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=0.9494596051172368, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H - Total Standard Deviation in ln(k): 1.9534182263699047"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H", + kinetics = ArrheniusBM(A=(32784.8,'m^3/(mol*s)'), n=0.506288, w0=(539,'kJ/mol'), E0=(83.0482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3550672185289219, var=8.004050652198492, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H + Total Standard Deviation in ln(k): 6.563811091360288"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H -Total Standard Deviation in ln(k): 1.9534182263699047""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H +Total Standard Deviation in ln(k): 6.563811091360288""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H -Total Standard Deviation in ln(k): 1.9534182263699047 +BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H +Total Standard Deviation in ln(k): 6.563811091360288 """, ) entry( index = 16, - label = "Root_Ext-1R!H-R_4R->O_N-Sp-5R!H-1R!H", - kinetics = ArrheniusBM(A=(6.03e+06,'m^3/(mol*s)'), n=0, w0=(563000,'J/mol'), E0=(56300,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_N-Sp-5R!H-1R!H + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-5BrCClFNO-R", + kinetics = ArrheniusBM(A=(84300,'m^3/(mol*s)'), n=7.83575e-09, w0=(539,'kJ/mol'), E0=(75.1694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-5BrCClFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-5BrCClFNO-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_N-Sp-5R!H-1R!H + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-5BrCClFNO-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_N-Sp-5R!H-1R!H +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-5BrCClFNO-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 17, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R", - kinetics = ArrheniusBM(A=(3.79584e+06,'m^3/(mol*s)'), n=-0.196833, w0=(535591,'J/mol'), E0=(53559.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0037403777898211976, var=0.7799706060483732, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R - Total Standard Deviation in ln(k): 1.779898653326379"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R", + kinetics = ArrheniusBM(A=(44093.5,'m^3/(mol*s)'), n=0.692363, w0=(539,'kJ/mol'), E0=(80.123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06587190689304198, var=8.539135154449818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R + Total Standard Deviation in ln(k): 6.023703778497705"""), rank = 11, - shortDesc = """BM rule fitted to 11 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R -Total Standard Deviation in ln(k): 1.779898653326379""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R +Total Standard Deviation in ln(k): 6.023703778497705""", longDesc = """ -BM rule fitted to 11 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R -Total Standard Deviation in ln(k): 1.779898653326379 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R +Total Standard Deviation in ln(k): 6.023703778497705 """, ) entry( index = 18, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H", - kinetics = ArrheniusBM(A=(0.433929,'m^3/(mol*s)'), n=1.96758, w0=(539000,'J/mol'), E0=(70245.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.1692521391030103, var=6.079427974794933, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H - Total Standard Deviation in ln(k): 5.368230882682922"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R_Ext-4CS-R", + kinetics = ArrheniusBM(A=(2.89e+07,'m^3/(mol*s)'), n=-8.15467e-08, w0=(539,'kJ/mol'), E0=(87.1638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R_Ext-4CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R_Ext-4CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H -Total Standard Deviation in ln(k): 5.368230882682922""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R_Ext-4CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H -Total Standard Deviation in ln(k): 5.368230882682922 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Ext-4CS-R_Ext-4CS-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 19, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H", - kinetics = ArrheniusBM(A=(5958.46,'m^3/(mol*s)'), n=0.568208, w0=(536000,'J/mol'), E0=(-32910.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-3.2867690498643043, var=55.8098478782717, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H',), comment="""BM rule fitted to 16 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H - Total Standard Deviation in ln(k): 23.23478535087143"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Sp-5BrCClFNO-4BrCCClFNOS", + kinetics = ArrheniusBM(A=(964000,'m^3/(mol*s)'), n=-4.35314e-09, w0=(539,'kJ/mol'), E0=(92.2495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Sp-5BrCClFNO-4BrCCClFNOS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Sp-5BrCClFNO-4BrCCClFNOS + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 16 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -Total Standard Deviation in ln(k): 23.23478535087143""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Sp-5BrCClFNO-4BrCCClFNOS +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 16 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H -Total Standard Deviation in ln(k): 23.23478535087143 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_Sp-5BrCClFNO-4BrCCClFNOS +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 20, - label = "Root_Ext-2R!H-R_2R!H->C_4R->C", - kinetics = ArrheniusBM(A=(50000,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(26972.8,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-2R!H-R_2R!H->C_4R->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_2R!H->C_4R->C + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_N-Sp-5BrCClFNO-4BrCCClFNOS", + kinetics = ArrheniusBM(A=(2.41e+06,'m^3/(mol*s)'), n=9.92746e-08, w0=(539,'kJ/mol'), E0=(104.366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_N-Sp-5BrCClFNO-4BrCCClFNOS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_N-Sp-5BrCClFNO-4BrCCClFNOS Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_2R!H->C_4R->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_N-Sp-5BrCClFNO-4BrCCClFNOS Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_2R!H->C_4R->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_Sp-6R!H=1R!H_N-Sp-5BrCClFNO-4BrCCClFNOS Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 21, - label = "Root_Ext-2R!H-R_2R!H->C_N-4R->C", - kinetics = ArrheniusBM(A=(7.23e+06,'m^3/(mol*s)'), n=0, w0=(563000,'J/mol'), E0=(97648.2,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-2R!H-R_2R!H->C_N-4R->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_2R!H->C_N-4R->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H", + kinetics = ArrheniusBM(A=(14342.3,'m^3/(mol*s)'), n=0.567352, w0=(533.725,'kJ/mol'), E0=(31.2112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.380927473619411, var=21.103527131863963, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H',), comment="""BM rule fitted to 20 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H + Total Standard Deviation in ln(k): 17.704260005703905"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_2R!H->C_N-4R->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 20 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H +Total Standard Deviation in ln(k): 17.704260005703905""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_2R!H->C_N-4R->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 20 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H +Total Standard Deviation in ln(k): 17.704260005703905 """, ) entry( index = 22, - label = "Root_Ext-2R!H-R_N-2R!H->C_4R->H", - kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(557500,'J/mol'), E0=(46201.9,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-2R!H-R_N-2R!H->C_4R->H',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_4R->H - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C", + kinetics = ArrheniusBM(A=(27604.4,'m^3/(mol*s)'), n=0.515881, w0=(537.029,'kJ/mol'), E0=(29.017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.41877703166918656, var=0.5880255709619887, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C',), comment="""BM rule fitted to 17 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C + Total Standard Deviation in ln(k): 2.589491096066327"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_4R->H -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 17 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C +Total Standard Deviation in ln(k): 2.589491096066327""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_4R->H -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 17 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C +Total Standard Deviation in ln(k): 2.589491096066327 """, ) entry( index = 23, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H", - kinetics = ArrheniusBM(A=(3.55396e+06,'m^3/(mol*s)'), n=0.0868444, w0=(550833,'J/mol'), E0=(77421.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.000652761627062249, var=0.3548234455961088, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-2R!H-R_N-2R!H->C_N-4R->H',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H - Total Standard Deviation in ln(k): 1.1958018205112724"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C", + kinetics = ArrheniusBM(A=(6.03e+06,'m^3/(mol*s)'), n=2.07e-09, w0=(539,'kJ/mol'), E0=(96.6108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6373354842722458e-09, var=1.5200504684685333e-17, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C + Total Standard Deviation in ln(k): 1.1929934212303094e-08"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H -Total Standard Deviation in ln(k): 1.1958018205112724""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C +Total Standard Deviation in ln(k): 1.1929934212303094e-08""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H -Total Standard Deviation in ln(k): 1.1958018205112724 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C +Total Standard Deviation in ln(k): 1.1929934212303094e-08 """, ) entry( index = 24, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1", - kinetics = ArrheniusBM(A=(240554,'m^3/(mol*s)'), n=0.681806, w0=(599125,'J/mol'), E0=(74070.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.11637774989113545, var=0.5068220816987241, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1',), comment="""BM rule fitted to 8 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1 - Total Standard Deviation in ln(k): 1.7196061325740737"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.03e+06,'m^3/(mol*s)'), n=-1.45588e-08, w0=(539,'kJ/mol'), E0=(98.0499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 8 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1 -Total Standard Deviation in ln(k): 1.7196061325740737""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 8 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1 -Total Standard Deviation in ln(k): 1.7196061325740737 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 25, - label = "Root_4R->H_Sp-2R!H-1R!H_N-2R!H-u1", - kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(534500,'J/mol'), E0=(53450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_N-2R!H-u1',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_N-2R!H-u1 - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C", + kinetics = ArrheniusBM(A=(26224,'m^3/(mol*s)'), n=0.520794, w0=(536.767,'kJ/mol'), E0=(16.1889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2289724588916703, var=0.21444319771196263, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C',), comment="""BM rule fitted to 15 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C + Total Standard Deviation in ln(k): 1.503660646239273"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_N-2R!H-u1 -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 15 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C +Total Standard Deviation in ln(k): 1.503660646239273""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_N-2R!H-u1 -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 15 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C +Total Standard Deviation in ln(k): 1.503660646239273 """, ) entry( index = 26, - label = "Root_4R->H_N-Sp-2R!H-1R!H_1R!H->C", - kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(557500,'J/mol'), E0=(55750,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_N-Sp-2R!H-1R!H_1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_1R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O", + kinetics = ArrheniusBM(A=(340826,'m^3/(mol*s)'), n=-1.08264e-07, w0=(539,'kJ/mol'), E0=(49.8746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.243993006310062e-09, var=0.960906045742854, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O + Total Standard Deviation in ln(k): 1.9651579216239603"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_1R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O +Total Standard Deviation in ln(k): 1.9651579216239603""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_1R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O +Total Standard Deviation in ln(k): 1.9651579216239603 """, ) entry( index = 27, - label = "Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C", - kinetics = ArrheniusBM(A=(16039.5,'m^3/(mol*s)'), n=0.960818, w0=(608000,'J/mol'), E0=(60800,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.4478648794535599, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C - Total Standard Deviation in ln(k): 1.1252886418431154"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(241000,'m^3/(mol*s)'), n=-4.10186e-09, w0=(539,'kJ/mol'), E0=(65.4044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C -Total Standard Deviation in ln(k): 1.1252886418431154""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C -Total Standard Deviation in ln(k): 1.1252886418431154 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_5BrCClFNO->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 28, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O", - kinetics = ArrheniusBM(A=(4.86137,'m^3/(mol*s)'), n=1.88298, w0=(647000,'J/mol'), E0=(-2980.15,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.2591287082868978, var=3.746723415601589, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O',), comment="""BM rule fitted to 22 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O - Total Standard Deviation in ln(k): 4.531533543179482"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O", + kinetics = ArrheniusBM(A=(25585.2,'m^3/(mol*s)'), n=0.525802, w0=(536.423,'kJ/mol'), E0=(19.3976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3906978248005291, var=0.2782129993917838, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O',), comment="""BM rule fitted to 13 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O + Total Standard Deviation in ln(k): 2.039068390470709"""), rank = 11, - shortDesc = """BM rule fitted to 22 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O -Total Standard Deviation in ln(k): 4.531533543179482""", + shortDesc = """BM rule fitted to 13 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O +Total Standard Deviation in ln(k): 2.039068390470709""", longDesc = """ -BM rule fitted to 22 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O -Total Standard Deviation in ln(k): 4.531533543179482 +BM rule fitted to 13 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O +Total Standard Deviation in ln(k): 2.039068390470709 """, ) entry( index = 29, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O", - kinetics = ArrheniusBM(A=(63.3186,'m^3/(mol*s)'), n=1.4714, w0=(567450,'J/mol'), E0=(-1407.03,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.004295895700507421, var=1.692299905031995, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O',), comment="""BM rule fitted to 40 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O - Total Standard Deviation in ln(k): 2.6187220517465106"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000754021,'m^3/(mol*s)'), n=2.68629, w0=(505.5,'kJ/mol'), E0=(-18.2862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4735502014390809, var=1.5296047720417258, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.181787483409471"""), rank = 11, - shortDesc = """BM rule fitted to 40 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O -Total Standard Deviation in ln(k): 2.6187220517465106""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.181787483409471""", longDesc = """ -BM rule fitted to 40 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O -Total Standard Deviation in ln(k): 2.6187220517465106 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.181787483409471 """, ) entry( index = 30, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O", - kinetics = ArrheniusBM(A=(6.06985e+07,'m^3/(mol*s)'), n=-0.0727699, w0=(665667,'J/mol'), E0=(73198.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.0730570062729807, var=4.7084908975045465, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_1R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O - Total Standard Deviation in ln(k): 7.046209272340443"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(20319.4,'m^3/(mol*s)'), n=0.557275, w0=(483.5,'kJ/mol'), E0=(18.6075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O -Total Standard Deviation in ln(k): 7.046209272340443""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O -Total Standard Deviation in ln(k): 7.046209272340443 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 31, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O", - kinetics = ArrheniusBM(A=(10895.1,'m^3/(mol*s)'), n=1.01432, w0=(582444,'J/mol'), E0=(55106.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.009342386299330369, var=0.25836087721149187, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O - Total Standard Deviation in ln(k): 1.042464370909332"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(2e+06,'m^3/(mol*s)'), n=4.76064e-09, w0=(527.5,'kJ/mol'), E0=(73.0284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 9 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O -Total Standard Deviation in ln(k): 1.042464370909332""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 9 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O -Total Standard Deviation in ln(k): 1.042464370909332 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-6R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 32, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H", - kinetics = ArrheniusBM(A=(1.02976e+08,'m^3/(mol*s)'), n=-1.08436, w0=(563000,'J/mol'), E0=(46128.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.09151076886860776, var=0.2905474551235391, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H - Total Standard Deviation in ln(k): 1.3105279586067948"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.00744e+06,'m^3/(mol*s)'), n=-0.141162, w0=(545.7,'kJ/mol'), E0=(31.9097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21232255877800607, var=0.4161859899497664, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R + Total Standard Deviation in ln(k): 1.8267780542453573"""), rank = 11, - shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H -Total Standard Deviation in ln(k): 1.3105279586067948""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R +Total Standard Deviation in ln(k): 1.8267780542453573""", longDesc = """ -BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H -Total Standard Deviation in ln(k): 1.3105279586067948 +BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R +Total Standard Deviation in ln(k): 1.8267780542453573 """, ) entry( index = 33, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_N-Sp-5R!H-1R!H", - kinetics = ArrheniusBM(A=(602200,'m^3/(mol*s)'), n=0, w0=(563000,'J/mol'), E0=(40463,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Ext-4O-R_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_N-Sp-5R!H-1R!H + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.56e+07,'m^3/(mol*s)'), n=-0.35, w0=(539,'kJ/mol'), E0=(67.068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_N-Sp-5R!H-1R!H + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_N-Sp-5R!H-1R!H +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 34, - label = "Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H_Ext-1R!H-R", - kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=0, w0=(563000,'J/mol'), E0=(56300,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H_Ext-1R!H-R + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3e+06,'m^3/(mol*s)'), n=-4.11946e-08, w0=(527.5,'kJ/mol'), E0=(67.7658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H_Ext-1R!H-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Sp-5R!H-1R!H_Ext-1R!H-R +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 35, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C", - kinetics = ArrheniusBM(A=(3.54362e+06,'m^3/(mol*s)'), n=-0.187345, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0005435713900316853, var=1.2012760832834504, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C - Total Standard Deviation in ln(k): 2.1986103517020235"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_2R!H->C", + kinetics = ArrheniusBM(A=(2.16e+08,'m^3/(mol*s)'), n=-0.75, w0=(539,'kJ/mol'), E0=(63.6762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -Total Standard Deviation in ln(k): 2.1986103517020235""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C -Total Standard Deviation in ln(k): 2.1986103517020235 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 36, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C", - kinetics = ArrheniusBM(A=(4.55971e+06,'m^3/(mol*s)'), n=-0.222135, w0=(526500,'J/mol'), E0=(52650,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.01226519497806337, var=0.009633055594024382, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C - Total Standard Deviation in ln(k): 0.22757807355262039"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C", + kinetics = ArrheniusBM(A=(1.7641e+06,'m^3/(mol*s)'), n=-0.0462318, w0=(561.5,'kJ/mol'), E0=(21.8225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011882880244573183, var=0.8932435450321468, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C + Total Standard Deviation in ln(k): 1.9245629290953707"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C -Total Standard Deviation in ln(k): 0.22757807355262039""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C +Total Standard Deviation in ln(k): 1.9245629290953707""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C -Total Standard Deviation in ln(k): 0.22757807355262039 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C +Total Standard Deviation in ln(k): 1.9245629290953707 """, ) entry( index = 37, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R", - kinetics = ArrheniusBM(A=(1.7265,'m^3/(mol*s)'), n=1.78155, w0=(539000,'J/mol'), E0=(71042.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.2864715707319417, var=8.102447089509363, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R - Total Standard Deviation in ln(k): 6.426215660910921"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-5CF-R", + kinetics = ArrheniusBM(A=(1.94e+06,'m^3/(mol*s)'), n=2.10553e-09, w0=(561.5,'kJ/mol'), E0=(38.5954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-5CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-5CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R -Total Standard Deviation in ln(k): 6.426215660910921""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-5CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 5 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R -Total Standard Deviation in ln(k): 6.426215660910921 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-5CF-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 38, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R", - kinetics = ArrheniusBM(A=(17549.8,'m^3/(mol*s)'), n=0.428311, w0=(534500,'J/mol'), E0=(-14543.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-3.582895962257546, var=62.60541265629812, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R',), comment="""BM rule fitted to 13 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R - Total Standard Deviation in ln(k): 24.8644332369221"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(974410,'m^3/(mol*s)'), n=-0.0210882, w0=(539,'kJ/mol'), E0=(58.4088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12379527460480996, var=0.04508104980218605, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.7366947385544255"""), rank = 11, - shortDesc = """BM rule fitted to 13 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R -Total Standard Deviation in ln(k): 24.8644332369221""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7366947385544255""", longDesc = """ -BM rule fitted to 13 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R -Total Standard Deviation in ln(k): 24.8644332369221 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7366947385544255 """, ) entry( index = 39, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C", - kinetics = ArrheniusBM(A=(4.56235e+06,'m^3/(mol*s)'), n=-0.16, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-4.305460834090209e-17, var=0.26130883078297484, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C - Total Standard Deviation in ln(k): 1.0247880034798968"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Ext-5CF-R", + kinetics = ArrheniusBM(A=(1.30188e+06,'m^3/(mol*s)'), n=-0.0632647, w0=(539,'kJ/mol'), E0=(59.9808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Ext-5CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Ext-5CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -Total Standard Deviation in ln(k): 1.0247880034798968""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Ext-5CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C -Total Standard Deviation in ln(k): 1.0247880034798968 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Ext-5CF-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 40, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_N-4CHNS->C", - kinetics = ArrheniusBM(A=(1.81e+06,'m^3/(mol*s)'), n=0, w0=(549500,'J/mol'), E0=(54950,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_N-4CHNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_N-4CHNS->C + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Sp-5CF-4C", + kinetics = ArrheniusBM(A=(843000,'m^3/(mol*s)'), n=3.32941e-09, w0=(539,'kJ/mol'), E0=(69.3765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Sp-5CF-4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Sp-5CF-4C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_N-4CHNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Sp-5CF-4C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_N-4CHNS->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_Sp-5CF-4C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 41, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_4CNO->O", - kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=2, w0=(571000,'J/mol'), E0=(57100,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_4CNO->O',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_4CNO->O + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_N-Sp-5CF-4C", + kinetics = ArrheniusBM(A=(843000,'m^3/(mol*s)'), n=9.01016e-09, w0=(539,'kJ/mol'), E0=(78.2166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_N-Sp-5CF-4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_N-Sp-5CF-4C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_4CNO->O + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_N-Sp-5CF-4C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_4CNO->O +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Ext-1R!H-R_N-Sp-5CF-4C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 42, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O", - kinetics = ArrheniusBM(A=(23777.5,'m^3/(mol*s)'), n=0.682531, w0=(540750,'J/mol'), E0=(64614.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.6075970314782776, var=0.6553537765114736, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O - Total Standard Deviation in ln(k): 3.149537412505626"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C", + kinetics = ArrheniusBM(A=(1.8697e+06,'m^3/(mol*s)'), n=-0.0316323, w0=(539,'kJ/mol'), E0=(56.2885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14888391573539506, var=0.09706161843692944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C + Total Standard Deviation in ln(k): 0.9986496636580938"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O -Total Standard Deviation in ln(k): 3.149537412505626""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C +Total Standard Deviation in ln(k): 0.9986496636580938""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O -Total Standard Deviation in ln(k): 3.149537412505626 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C +Total Standard Deviation in ln(k): 0.9986496636580938 """, ) entry( index = 43, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O", - kinetics = ArrheniusBM(A=(1151.49,'m^3/(mol*s)'), n=1.37766, w0=(657250,'J/mol'), E0=(60077.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.03633496085430713, var=0.028750657654443026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O - Total Standard Deviation in ln(k): 0.43121712987894956"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C_Ext-5CF-R", + kinetics = ArrheniusBM(A=(2.41088e+06,'m^3/(mol*s)'), n=-0.0632647, w0=(539,'kJ/mol'), E0=(57.6576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C_Ext-5CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C_Ext-5CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O -Total Standard Deviation in ln(k): 0.43121712987894956""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C_Ext-5CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O -Total Standard Deviation in ln(k): 0.43121712987894956 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_Sp-5CF-4C_Ext-5CF-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 44, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O", - kinetics = ArrheniusBM(A=(358904,'m^3/(mol*s)'), n=0.629663, w0=(579750,'J/mol'), E0=(76357.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.18777365918498876, var=0.5057209361704464, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O - Total Standard Deviation in ln(k): 1.897441595632223"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_N-Sp-5CF-4C", + kinetics = ArrheniusBM(A=(1.21e+06,'m^3/(mol*s)'), n=-1.85831e-08, w0=(539,'kJ/mol'), E0=(76.2081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_N-Sp-5CF-4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_N-Sp-5CF-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O -Total Standard Deviation in ln(k): 1.897441595632223""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_N-Sp-5CF-4C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O -Total Standard Deviation in ln(k): 1.897441595632223 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_4CS->C_N-Sp-5BrBrBrCCCClClClFFFNNNOOO#4C_N-5BrCClFNO->O_N-Sp-5CF-4C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 45, - label = "Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_2R!H->C", - kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(545000,'J/mol'), E0=(54500,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C", + kinetics = ArrheniusBM(A=(6.41947,'m^3/(mol*s)'), n=1.17357, w0=(515,'kJ/mol'), E0=(53.2393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.5769113321497894, var=36.01419751550576, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C + Total Standard Deviation in ln(k): 21.017996487725853"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C +Total Standard Deviation in ln(k): 21.017996487725853""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C +Total Standard Deviation in ln(k): 21.017996487725853 """, ) entry( index = 46, - label = "Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(671000,'J/mol'), E0=(67100,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_N-2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.55713e+06,'m^3/(mol*s)'), n=-0.267658, w0=(515,'kJ/mol'), E0=(58.1419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025362235778445468, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.0637242104986067"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_N-2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.0637242104986067""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_N-Sp-2R!H-1R!H_N-1R!H->C_N-2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.0637242104986067 """, ) entry( index = 47, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C", - kinetics = ArrheniusBM(A=(7.43489e+07,'m^3/(mol*s)'), n=-0.0998224, w0=(662885,'J/mol'), E0=(44766.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.7298065405965491, var=4.858257525622271, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C',), comment="""BM rule fitted to 13 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C - Total Standard Deviation in ln(k): 6.252412638771265"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R_Ext-5BrCClFNO-R", + kinetics = ArrheniusBM(A=(6.55713e+06,'m^3/(mol*s)'), n=-0.267658, w0=(515,'kJ/mol'), E0=(58.7277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R_Ext-5BrCClFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R_Ext-5BrCClFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 13 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C -Total Standard Deviation in ln(k): 6.252412638771265""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R_Ext-5BrCClFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 13 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C -Total Standard Deviation in ln(k): 6.252412638771265 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-1R!H-R_N-5R!H->S_N-4R->O_N-Sp-6R!H=1R!H_N-4CS->C_Ext-1R!H-R_Ext-5BrCClFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 48, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C", - kinetics = ArrheniusBM(A=(0.847891,'m^3/(mol*s)'), n=2.07148, w0=(624056,'J/mol'), E0=(-9108.61,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.3066934194206129, var=3.646168388500196, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C - Total Standard Deviation in ln(k): 4.598616635309227"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.68661e+15,'m^3/(mol*s)'), n=-2.816, w0=(547.45,'kJ/mol'), E0=(100.118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19176361521052568, var=2.6401805106326117, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.739238438380388"""), rank = 11, - shortDesc = """BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C -Total Standard Deviation in ln(k): 4.598616635309227""", + shortDesc = """BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.739238438380388""", longDesc = """ -BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C -Total Standard Deviation in ln(k): 4.598616635309227 +BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.739238438380388 """, ) entry( index = 49, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O", - kinetics = ArrheniusBM(A=(336.66,'m^3/(mol*s)'), n=1.32779, w0=(590706,'J/mol'), E0=(-8150.35,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.00558337269774861, var=1.4985896104748897, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O',), comment="""BM rule fitted to 17 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O - Total Standard Deviation in ln(k): 2.4681630030595403"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F", + kinetics = ArrheniusBM(A=(1.41802e+07,'m^3/(mol*s)'), n=0.000363966, w0=(533.25,'kJ/mol'), E0=(67.2596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7238996722869935e-09, var=0.9609060319990688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F + Total Standard Deviation in ln(k): 1.9651578937006078"""), rank = 11, - shortDesc = """BM rule fitted to 17 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O -Total Standard Deviation in ln(k): 2.4681630030595403""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F +Total Standard Deviation in ln(k): 1.9651578937006078""", longDesc = """ -BM rule fitted to 17 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O -Total Standard Deviation in ln(k): 2.4681630030595403 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F +Total Standard Deviation in ln(k): 1.9651578937006078 """, ) entry( index = 50, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O", - kinetics = ArrheniusBM(A=(32.606,'m^3/(mol*s)'), n=1.47916, w0=(550261,'J/mol'), E0=(62814.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.024499240070432513, var=1.3407175726784197, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O',), comment="""BM rule fitted to 23 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O - Total Standard Deviation in ln(k): 2.38282578132325"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=-8.7362e-10, w0=(539,'kJ/mol'), E0=(62.2411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_Sp-2R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 23 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O -Total Standard Deviation in ln(k): 2.38282578132325""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 23 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O -Total Standard Deviation in ln(k): 2.38282578132325 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 51, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C", - kinetics = ArrheniusBM(A=(1.21e+06,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_N-Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=-1.39711e-08, w0=(527.5,'kJ/mol'), E0=(63.2561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_N-Sp-2R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_N-Sp-2R!H-1R!H Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_N-Sp-2R!H-1R!H Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_4CNOS->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_5R!H->F_N-Sp-2R!H-1R!H Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 52, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C", - kinetics = ArrheniusBM(A=(1.99016e+08,'m^3/(mol*s)'), n=-0.225563, w0=(670750,'J/mol'), E0=(75059.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.2522028424953557, var=6.0581551465221715, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C - Total Standard Deviation in ln(k): 8.080556867668387"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(1.24513e+11,'m^3/(mol*s)'), n=-1.63604, w0=(551,'kJ/mol'), E0=(81.0741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03344106920634167, var=1.464701285205334, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F + Total Standard Deviation in ln(k): 2.5102502858892723"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C -Total Standard Deviation in ln(k): 8.080556867668387""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.5102502858892723""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C -Total Standard Deviation in ln(k): 8.080556867668387 +BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.5102502858892723 """, ) entry( index = 53, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(15938.6,'m^3/(mol*s)'), n=0.994035, w0=(571333,'J/mol'), E0=(58835.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.032911533750999235, var=0.2853175032213902, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 1.153523940801922"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R", + kinetics = ArrheniusBM(A=(6.79623e+11,'m^3/(mol*s)'), n=-1.80442, w0=(539,'kJ/mol'), E0=(79.5475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1756919933094387, var=8.131585618052993, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R + Total Standard Deviation in ln(k): 8.670689544387095"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.153523940801922""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R +Total Standard Deviation in ln(k): 8.670689544387095""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.153523940801922 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R +Total Standard Deviation in ln(k): 8.670689544387095 """, ) entry( index = 54, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(11361.3,'m^3/(mol*s)'), n=0.960818, w0=(604667,'J/mol'), E0=(60466.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.02977097491065517, var=1.805559322863034e-35, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 0.0748014444991336"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-4R-R", + kinetics = ArrheniusBM(A=(50000,'m^3/(mol*s)'), n=5.90396e-09, w0=(539,'kJ/mol'), E0=(30.8631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-4R-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-4R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 0.0748014444991336""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-4R-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 0.0748014444991336 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-4R-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 55, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R", - kinetics = ArrheniusBM(A=(10000,'m^3/(mol*s)'), n=-2.70943e-08, w0=(563000,'J/mol'), E0=(19737.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=6.435288686813596e-10, var=5.162895344862459e-19, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R - Total Standard Deviation in ln(k): 3.0573748226362496e-09"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.08e+08,'m^3/(mol*s)'), n=-0.75, w0=(539,'kJ/mol'), E0=(65.7325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R -Total Standard Deviation in ln(k): 3.0573748226362496e-09""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 4 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R -Total Standard Deviation in ln(k): 3.0573748226362496e-09 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_Ext-5BrCClNOS-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 56, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-1R!H-R", - kinetics = ArrheniusBM(A=(10974.5,'m^3/(mol*s)'), n=2.73044e-07, w0=(563000,'J/mol'), E0=(19809.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-3.2290956255676566e-17, var=0.06917824979652494, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-1R!H-R - Total Standard Deviation in ln(k): 0.5272805777722495"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_4R->C", + kinetics = ArrheniusBM(A=(333333,'m^3/(mol*s)'), n=4.30577e-10, w0=(539,'kJ/mol'), E0=(57.1846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_4R->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_4R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-1R!H-R -Total Standard Deviation in ln(k): 0.5272805777722495""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_4R->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-1R!H-R -Total Standard Deviation in ln(k): 0.5272805777722495 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_4R->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 57, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R", - kinetics = ArrheniusBM(A=(3.28526e+06,'m^3/(mol*s)'), n=-0.168394, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0006212264085765338, var=1.4218690013356239, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R - Total Standard Deviation in ln(k): 2.3920500512879865"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C", + kinetics = ArrheniusBM(A=(173205,'m^3/(mol*s)'), n=1.42964e-09, w0=(563,'kJ/mol'), E0=(47.4543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01962490600378369, var=0.9058817125637972, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C + Total Standard Deviation in ln(k): 1.9573719214979861"""), rank = 11, - shortDesc = """BM rule fitted to 7 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R -Total Standard Deviation in ln(k): 2.3920500512879865""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C +Total Standard Deviation in ln(k): 1.9573719214979861""", longDesc = """ -BM rule fitted to 7 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R -Total Standard Deviation in ln(k): 2.3920500512879865 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C +Total Standard Deviation in ln(k): 1.9573719214979861 """, ) entry( index = 58, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H", - kinetics = ArrheniusBM(A=(904000,'m^3/(mol*s)'), n=0, w0=(549500,'J/mol'), E0=(54950,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(173205,'m^3/(mol*s)'), n=-3.34254e-08, w0=(563,'kJ/mol'), E0=(46.4868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9914789396273076e-09, var=2.4138979214679144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.114701560802306"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.114701560802306""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_4HS->H -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_Ext-2R!H-R_N-5R!H->F_N-4R->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.114701560802306 """, ) entry( index = 59, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H", - kinetics = ArrheniusBM(A=(1.02405e+07,'m^3/(mol*s)'), n=-0.333202, w0=(515000,'J/mol'), E0=(51500,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.27677043112298655, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H - Total Standard Deviation in ln(k): 0.6954030932738355"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O", + kinetics = ArrheniusBM(A=(12.4764,'m^3/(mol*s)'), n=1.90962, w0=(626.45,'kJ/mol'), E0=(4.15053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15519987327625473, var=0.6672850079191734, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O',), comment="""BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O + Total Standard Deviation in ln(k): 2.0275676940019696"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H -Total Standard Deviation in ln(k): 0.6954030932738355""", + shortDesc = """BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O +Total Standard Deviation in ln(k): 2.0275676940019696""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H -Total Standard Deviation in ln(k): 0.6954030932738355 +BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O +Total Standard Deviation in ln(k): 2.0275676940019696 """, ) entry( index = 60, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R", - kinetics = ArrheniusBM(A=(84300,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(76690.3,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(15.3304,'m^3/(mol*s)'), n=1.9099, w0=(626.125,'kJ/mol'), E0=(5.1839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3139209118617231, var=0.6800651165443758, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 2.441972055265988"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 2.441972055265988""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-6R!H-R -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 2.441972055265988 """, ) entry( index = 61, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R", - kinetics = ArrheniusBM(A=(5.7233e-06,'m^3/(mol*s)'), n=3.63493, w0=(539000,'J/mol'), E0=(10543.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.004220313209984355, var=8.94173911161422, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R - Total Standard Deviation in ln(k): 6.005311154003196"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_5R!H->Br", + kinetics = ArrheniusBM(A=(3.33333e+06,'m^3/(mol*s)'), n=-1.29606e-09, w0=(655.5,'kJ/mol'), E0=(76.3995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R -Total Standard Deviation in ln(k): 6.005311154003196""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R -Total Standard Deviation in ln(k): 6.005311154003196 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 62, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Sp-6R!H-4CHNS", - kinetics = ArrheniusBM(A=(964000,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(92497.8,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Sp-6R!H-4CHNS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Sp-6R!H-4CHNS - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br", + kinetics = ArrheniusBM(A=(15.2824,'m^3/(mol*s)'), n=1.91038, w0=(621.929,'kJ/mol'), E0=(4.75683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33664012190240206, var=0.8389711713614659, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br',), comment="""BM rule fitted to 7 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br + Total Standard Deviation in ln(k): 2.6820739536265257"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Sp-6R!H-4CHNS -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 7 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br +Total Standard Deviation in ln(k): 2.6820739536265257""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Sp-6R!H-4CHNS -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 7 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br +Total Standard Deviation in ln(k): 2.6820739536265257 """, ) entry( index = 63, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS", - kinetics = ArrheniusBM(A=(2.41e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_2R!H->C", + kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=9.98868e-09, w0=(679.5,'kJ/mol'), E0=(57.5078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_N-Sp-6R!H-4CHNS +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 64, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S", - kinetics = ArrheniusBM(A=(1.27667e-13,'m^3/(mol*s)'), n=4.8323, w0=(527000,'J/mol'), E0=(25354.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=10.238614422136449, var=279.3313223037818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S - Total Standard Deviation in ln(k): 59.23071623718318"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C", + kinetics = ArrheniusBM(A=(15.2296,'m^3/(mol*s)'), n=1.91087, w0=(612.333,'kJ/mol'), E0=(5.10581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3281578663018971, var=0.8044535142275768, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C + Total Standard Deviation in ln(k): 2.6225908578853074"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S -Total Standard Deviation in ln(k): 59.23071623718318""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C +Total Standard Deviation in ln(k): 2.6225908578853074""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S -Total Standard Deviation in ln(k): 59.23071623718318 +BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C +Total Standard Deviation in ln(k): 2.6225908578853074 """, ) entry( index = 65, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S", - kinetics = ArrheniusBM(A=(365253,'m^3/(mol*s)'), n=0.0895424, w0=(535864,'J/mol'), E0=(4633.75,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.8281757095360616, var=15.207890755227291, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S',), comment="""BM rule fitted to 11 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S - Total Standard Deviation in ln(k): 12.411330975974792"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_1R!H->C", + kinetics = ArrheniusBM(A=(8.03333e+06,'m^3/(mol*s)'), n=3.39523e-09, w0=(655.5,'kJ/mol'), E0=(73.5791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 11 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S -Total Standard Deviation in ln(k): 12.411330975974792""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 11 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S -Total Standard Deviation in ln(k): 12.411330975974792 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 66, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1", - kinetics = ArrheniusBM(A=(1.15e+07,'m^3/(mol*s)'), n=-0.32, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C", + kinetics = ArrheniusBM(A=(15.1785,'m^3/(mol*s)'), n=1.91136, w0=(603.7,'kJ/mol'), E0=(3.86499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33960190302821525, var=0.8509467240917166, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C + Total Standard Deviation in ln(k): 2.7025745414018467"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C +Total Standard Deviation in ln(k): 2.7025745414018467""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_4C-u1 -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C +Total Standard Deviation in ln(k): 2.7025745414018467 """, ) entry( index = 67, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_N-4C-u1", - kinetics = ArrheniusBM(A=(1.81e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_N-4C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_N-4C-u1 - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O", + kinetics = ArrheniusBM(A=(15.241,'m^3/(mol*s)'), n=1.91136, w0=(648.5,'kJ/mol'), E0=(5.43305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0079411854009772, var=2.281347972126138, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O + Total Standard Deviation in ln(k): 5.5604938230584935"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_N-4C-u1 -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O +Total Standard Deviation in ln(k): 5.5604938230584935""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_4CHNS->C_N-4C-u1 -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O +Total Standard Deviation in ln(k): 5.5604938230584935 """, ) entry( index = 68, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_4CN->C", - kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(547000,'J/mol'), E0=(47358.9,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_4CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_4CN->C + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_2NO->O", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(635,'kJ/mol'), E0=(4.10965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_4CN->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_4CN->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 69, - label = "Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_N-4CN->C", - kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(534500,'J/mol'), E0=(53450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_N-4CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_N-4CN->C + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_N-2NO->O", + kinetics = ArrheniusBM(A=(15.3458,'m^3/(mol*s)'), n=1.91136, w0=(662,'kJ/mol'), E0=(27.1417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_N-2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_N-4CN->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-2R!H-R_N-2R!H->C_N-4R->H_N-4CNO->O_N-4CN->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_1NO->O_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 70, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C", - kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=0, w0=(666000,'J/mol'), E0=(66600,'J/mol'), Tmin=(295,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(573.833,'kJ/mol'), E0=(24.2205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04545993447137404, var=0.042655242012456955, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O + Total Standard Deviation in ln(k): 0.5282617938309521"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O +Total Standard Deviation in ln(k): 0.5282617938309521""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O +Total Standard Deviation in ln(k): 0.5282617938309521 """, ) entry( index = 71, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C", - kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(648500,'J/mol'), E0=(59319.9,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_2NO->O", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(625.5,'kJ/mol'), E0=(19.6491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_1R!H->O_N-2R!H->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 72, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C", - kinetics = ArrheniusBM(A=(48750,'m^3/(mol*s)'), n=0.958373, w0=(589333,'J/mol'), E0=(58933.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.47580866012507, var=4.807609562897205, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C',), comment="""BM rule fitted to 3 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C - Total Standard Deviation in ln(k): 8.103696573709435"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(548,'kJ/mol'), E0=(35.7996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4947908977436571, var=0.6465481379303625, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O + Total Standard Deviation in ln(k): 2.8551649439842732"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C -Total Standard Deviation in ln(k): 8.103696573709435""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O +Total Standard Deviation in ln(k): 2.8551649439842732""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C -Total Standard Deviation in ln(k): 8.103696573709435 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O +Total Standard Deviation in ln(k): 2.8551649439842732 """, ) entry( index = 73, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C", - kinetics = ArrheniusBM(A=(12490.1,'m^3/(mol*s)'), n=1.0397, w0=(570167,'J/mol'), E0=(68188.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.023704145862347308, var=0.7277245335318464, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C',), comment="""BM rule fitted to 3 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C - Total Standard Deviation in ln(k): 1.7697329354950213"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_2N-u1", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(548,'kJ/mol'), E0=(30.8566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_2N-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C -Total Standard Deviation in ln(k): 1.7697329354950213""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_2N-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C -Total Standard Deviation in ln(k): 1.7697329354950213 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_2N-u1 +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 74, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R", - kinetics = ArrheniusBM(A=(2.64485e+07,'m^3/(mol*s)'), n=-0.132719, w0=(662045,'J/mol'), E0=(32116.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0510078349133705, var=2.263935109688879, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R - Total Standard Deviation in ln(k): 3.144560699232883"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_N-2N-u1", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(548,'kJ/mol'), E0=(60.0521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_N-2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_N-2N-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 11 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R -Total Standard Deviation in ln(k): 3.144560699232883""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_N-2N-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 11 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R -Total Standard Deviation in ln(k): 3.144560699232883 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_Sp-2R!H-1R!H_N-5R!H->Br_N-2R!H->C_N-1R!H->C_N-1NO->O_N-2NO->O_N-2N-u1 +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 75, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C", - kinetics = ArrheniusBM(A=(8.49e+07,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(298,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(7.45181,'m^3/(mol*s)'), n=1.90892, w0=(627.75,'kJ/mol'), E0=(59.2734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6515196177110988, var=1.068119821182163, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 3.7088753109299795"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 3.7088753109299795""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_4CNOS->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 3.7088753109299795 """, ) entry( index = 76, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C", - kinetics = ArrheniusBM(A=(2.41e+07,'m^3/(mol*s)'), n=0, w0=(679500,'J/mol'), E0=(67950,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C + label = "Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_1R!H->C", + kinetics = ArrheniusBM(A=(7.59897,'m^3/(mol*s)'), n=1.90649, w0=(571,'kJ/mol'), E0=(56.6097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_1R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_1R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_N-4CNOS->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_1R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 77, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O", - kinetics = ArrheniusBM(A=(127.138,'m^3/(mol*s)'), n=1.57348, w0=(653000,'J/mol'), E0=(4452.52,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-3.9155328033681194, var=28.66315200497933, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O - Total Standard Deviation in ln(k): 20.570968575960745"""), + label = "Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_N-1R!H->C", + kinetics = ArrheniusBM(A=(7.3075,'m^3/(mol*s)'), n=1.91136, w0=(684.5,'kJ/mol'), E0=(92.1772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O -Total Standard Deviation in ln(k): 20.570968575960745""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O -Total Standard Deviation in ln(k): 20.570968575960745 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_4R->O_N-Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 78, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O", - kinetics = ArrheniusBM(A=(0.864362,'m^3/(mol*s)'), n=2.04909, w0=(609583,'J/mol'), E0=(-311.902,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.3524242618291431, var=5.122711251797606, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O - Total Standard Deviation in ln(k): 5.422886644907272"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O", + kinetics = ArrheniusBM(A=(55.6243,'m^3/(mol*s)'), n=1.58893, w0=(597.409,'kJ/mol'), E0=(24.1404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4843080269762434, var=5.408187660459464, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O',), comment="""BM rule fitted to 22 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O + Total Standard Deviation in ln(k): 5.87896809226619"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O -Total Standard Deviation in ln(k): 5.422886644907272""", + shortDesc = """BM rule fitted to 22 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O +Total Standard Deviation in ln(k): 5.87896809226619""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O -Total Standard Deviation in ln(k): 5.422886644907272 +BM rule fitted to 22 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O +Total Standard Deviation in ln(k): 5.87896809226619 """, ) entry( index = 79, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R", - kinetics = ArrheniusBM(A=(202.633,'m^3/(mol*s)'), n=1.393, w0=(597000,'J/mol'), E0=(-5139.23,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.06911874917151527, var=4.397702883000043, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R - Total Standard Deviation in ln(k): 4.377735130161602"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_5R!H->N", + kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(598.5,'kJ/mol'), E0=(25.4926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R -Total Standard Deviation in ln(k): 4.377735130161602""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R -Total Standard Deviation in ln(k): 4.377735130161602 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 80, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(625.943,'m^3/(mol*s)'), n=1.27875, w0=(575333,'J/mol'), E0=(57533.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.03990583248034886, var=0.24629950025387834, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 1.0951872704960075"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N", + kinetics = ArrheniusBM(A=(26.9307,'m^3/(mol*s)'), n=1.7319, w0=(597.357,'kJ/mol'), E0=(1.77872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021989733136989098, var=0.8263653457642715, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N',), comment="""BM rule fitted to 21 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N + Total Standard Deviation in ln(k): 1.8776477780518248"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.0951872704960075""", + shortDesc = """BM rule fitted to 21 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N +Total Standard Deviation in ln(k): 1.8776477780518248""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.0951872704960075 +BM rule fitted to 21 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N +Total Standard Deviation in ln(k): 1.8776477780518248 """, ) entry( index = 81, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(330.615,'m^3/(mol*s)'), n=1.27907, w0=(604667,'J/mol'), E0=(60466.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.03980613352150107, var=0.0, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 0.10001541085804289"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O", + kinetics = ArrheniusBM(A=(0.022372,'m^3/(mol*s)'), n=2.67587, w0=(644.1,'kJ/mol'), E0=(-6.68123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06549229330671626, var=1.074092084335976, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O',), comment="""BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O + Total Standard Deviation in ln(k): 2.2422291386189506"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 0.10001541085804289""", + shortDesc = """BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O +Total Standard Deviation in ln(k): 2.2422291386189506""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 0.10001541085804289 +BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O +Total Standard Deviation in ln(k): 2.2422291386189506 """, ) entry( index = 82, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R", - kinetics = ArrheniusBM(A=(373.459,'m^3/(mol*s)'), n=1.26122, w0=(547200,'J/mol'), E0=(46931,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.09318681774672263, var=0.1421306232878116, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R - Total Standard Deviation in ln(k): 0.9899271731946009"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS", + kinetics = ArrheniusBM(A=(16.4899,'m^3/(mol*s)'), n=1.89829, w0=(646,'kJ/mol'), E0=(12.5277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7119916452925086, var=1.3846613918678052, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS + Total Standard Deviation in ln(k): 4.147928294905957"""), rank = 11, - shortDesc = """BM rule fitted to 10 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R -Total Standard Deviation in ln(k): 0.9899271731946009""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS +Total Standard Deviation in ln(k): 4.147928294905957""", longDesc = """ -BM rule fitted to 10 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R -Total Standard Deviation in ln(k): 0.9899271731946009 +BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS +Total Standard Deviation in ln(k): 4.147928294905957 """, ) entry( index = 83, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C", - kinetics = ArrheniusBM(A=(30.9211,'m^3/(mol*s)'), n=1.45757, w0=(548688,'J/mol'), E0=(78196.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.2556974699678075, var=0.6728411382279629, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C - Total Standard Deviation in ln(k): 2.2868778768615523"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_Ext-5BrCClOS-R", + kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=-4.12254e-09, w0=(655.5,'kJ/mol'), E0=(58.5176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_Ext-5BrCClOS-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_Ext-5BrCClOS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C -Total Standard Deviation in ln(k): 2.2868778768615523""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_Ext-5BrCClOS-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C -Total Standard Deviation in ln(k): 2.2868778768615523 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_Ext-5BrCClOS-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 84, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C", - kinetics = ArrheniusBM(A=(238.944,'m^3/(mol*s)'), n=1.2433, w0=(558900,'J/mol'), E0=(34984.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0012581813448375246, var=0.5817728263131192, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C - Total Standard Deviation in ln(k): 1.5322535742673742"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C", + kinetics = ArrheniusBM(A=(9.24918e+07,'m^3/(mol*s)'), n=-0.49878, w0=(655.5,'kJ/mol'), E0=(79.0313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011535687046447333, var=0.033595208509387575, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C + Total Standard Deviation in ln(k): 0.396431945382026"""), rank = 11, - shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C -Total Standard Deviation in ln(k): 1.5322535742673742""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C +Total Standard Deviation in ln(k): 0.396431945382026""", longDesc = """ -BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C -Total Standard Deviation in ln(k): 1.5322535742673742 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C +Total Standard Deviation in ln(k): 0.396431945382026 """, ) entry( index = 85, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C", - kinetics = ArrheniusBM(A=(9.04e+07,'m^3/(mol*s)'), n=0, w0=(679500,'J/mol'), E0=(67950,'J/mol'), Tmin=(298,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(2.89163e+07,'m^3/(mol*s)'), n=-0.373329, w0=(655.5,'kJ/mol'), E0=(72.1959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.670511072781141e-11, var=0.06912283089195403, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R + Total Standard Deviation in ln(k): 0.5270693326185465"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R +Total Standard Deviation in ln(k): 0.5270693326185465""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R +Total Standard Deviation in ln(k): 0.5270693326185465 """, ) entry( index = 86, - label = "Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(662000,'J/mol'), E0=(47976.3,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(3.47e+08,'m^3/(mol*s)'), n=-0.75, w0=(655.5,'kJ/mol'), E0=(67.0846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R_Ext-4CNS-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R_Ext-4CNS-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_1R!H->O_N-4CNOS->C_N-2R!H->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_Ext-4CNS-R_Ext-4CNS-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 87, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C", - kinetics = ArrheniusBM(A=(33706.5,'m^3/(mol*s)'), n=0.959594, w0=(564500,'J/mol'), E0=(56450,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.1948601205724478, var=0.35256865674022686, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C - Total Standard Deviation in ln(k): 1.6799597049858794"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C", + kinetics = ArrheniusBM(A=(15.3833,'m^3/(mol*s)'), n=1.90892, w0=(627,'kJ/mol'), E0=(11.976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.675508212924922, var=19.316065883486637, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C + Total Standard Deviation in ln(k): 23.07089087618408"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C -Total Standard Deviation in ln(k): 1.6799597049858794""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C +Total Standard Deviation in ln(k): 23.07089087618408""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C -Total Standard Deviation in ln(k): 1.6799597049858794 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C +Total Standard Deviation in ln(k): 23.07089087618408 """, ) entry( index = 88, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C", - kinetics = ArrheniusBM(A=(9237.74,'m^3/(mol*s)'), n=1.04888, w0=(574750,'J/mol'), E0=(56238.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.010334634855692922, var=0.2652013577163164, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C - Total Standard Deviation in ln(k): 1.058358967033491"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_2R!H->C", + kinetics = ArrheniusBM(A=(4.82e+06,'m^3/(mol*s)'), n=-3.28933e-09, w0=(655.5,'kJ/mol'), E0=(66.7498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.058358967033491""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 4 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.058358967033491 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 89, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C", - kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(571000,'J/mol'), E0=(57100,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(598.5,'kJ/mol'), E0=(6.5542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_1CNS->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 90, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C", - kinetics = ArrheniusBM(A=(11361.3,'m^3/(mol*s)'), n=0.960818, w0=(621500,'J/mol'), E0=(62150,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.4478648794535599, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C - Total Standard Deviation in ln(k): 1.1252886418431154"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS", + kinetics = ArrheniusBM(A=(8.061,'m^3/(mol*s)'), n=1.89922, w0=(641.25,'kJ/mol'), E0=(14.0224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.554616392052546, var=8.148134271691292, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS + Total Standard Deviation in ln(k): 9.628574981315625"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.1252886418431154""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS +Total Standard Deviation in ln(k): 9.628574981315625""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.1252886418431154 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS +Total Standard Deviation in ln(k): 9.628574981315625 """, ) entry( index = 91, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R", - kinetics = ArrheniusBM(A=(10000,'m^3/(mol*s)'), n=-2.10203e-08, w0=(563000,'J/mol'), E0=(21006.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R - Total Standard Deviation in ln(k): 0.0"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C", + kinetics = ArrheniusBM(A=(7.88926,'m^3/(mol*s)'), n=1.90164, w0=(636.5,'kJ/mol'), E0=(8.27798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.604390590097761, var=0.5763546944406924, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C + Total Standard Deviation in ln(k): 8.06565028328301"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R -Total Standard Deviation in ln(k): 0.0""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C +Total Standard Deviation in ln(k): 8.06565028328301""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R -Total Standard Deviation in ln(k): 0.0 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C +Total Standard Deviation in ln(k): 8.06565028328301 """, ) entry( index = 92, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_Sp-7R!H#4C", - kinetics = ArrheniusBM(A=(6.03e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_Sp-7R!H#4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_Sp-7R!H#4C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C", + kinetics = ArrheniusBM(A=(1.90316e+07,'m^3/(mol*s)'), n=5.40517e-08, w0=(655.5,'kJ/mol'), E0=(64.0651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29316537976053914, var=2.928248266702813, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C + Total Standard Deviation in ln(k): 4.167124182449777"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_Sp-7R!H#4C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C +Total Standard Deviation in ln(k): 4.167124182449777""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_Sp-7R!H#4C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C +Total Standard Deviation in ln(k): 4.167124182449777 """, ) entry( index = 93, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C", - kinetics = ArrheniusBM(A=(2.96901e+06,'m^3/(mol*s)'), n=-0.196459, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0007247616677251713, var=0.7512272601497324, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C - Total Standard Deviation in ln(k): 1.7393924065119997"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_Sp-5C=4CNS", + kinetics = ArrheniusBM(A=(3.01e+07,'m^3/(mol*s)'), n=1.93473e-08, w0=(655.5,'kJ/mol'), E0=(79.8442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_Sp-5C=4CNS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_Sp-5C=4CNS + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C -Total Standard Deviation in ln(k): 1.7393924065119997""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_Sp-5C=4CNS +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C -Total Standard Deviation in ln(k): 1.7393924065119997 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_Sp-5C=4CNS +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 94, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H_Ext-4S-R_Ext-7R!H-R", - kinetics = ArrheniusBM(A=(763000,'m^3/(mol*s)'), n=0, w0=(515000,'J/mol'), E0=(51500,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H_Ext-4S-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H_Ext-4S-R_Ext-7R!H-R + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_N-Sp-5C=4CNS", + kinetics = ArrheniusBM(A=(1.20333e+07,'m^3/(mol*s)'), n=-2.26006e-08, w0=(655.5,'kJ/mol'), E0=(100.208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_N-Sp-5C=4CNS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_N-Sp-5C=4CNS Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H_Ext-4S-R_Ext-7R!H-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_N-Sp-5C=4CNS Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_N-4CHNS->C_N-4HS->H_Ext-4S-R_Ext-7R!H-R +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_2R!H->C_N-Sp-5C=4CNS Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 95, - label = "Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R_Ext-4CHNS-R", - kinetics = ArrheniusBM(A=(2.89e+07,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(85952.7,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R_Ext-4CHNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R_Ext-4CHNS-R + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(7.59897,'m^3/(mol*s)'), n=1.90649, w0=(598.5,'kJ/mol'), E0=(9.64021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R_Ext-4CHNS-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Sp-5R!H=1R!H_Ext-4CHNS-R_Ext-4CHNS-R_Ext-4CHNS-R +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_5BrCClOS->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 96, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S_Ext-2R!H-R", - kinetics = ArrheniusBM(A=(644,'m^3/(mol*s)'), n=1.19, w0=(515000,'J/mol'), E0=(39525.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S_Ext-2R!H-R + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C", + kinetics = ArrheniusBM(A=(1.81e+08,'m^3/(mol*s)'), n=1.0541e-08, w0=(655.5,'kJ/mol'), E0=(58.849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S_Ext-2R!H-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_6R!H->S_Ext-2R!H-R +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_1R!H->O_N-Sp-5BrCClOS-4BrCCClNOSS_N-5BrCClOS->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 97, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C", - kinetics = ArrheniusBM(A=(779957,'m^3/(mol*s)'), n=0.0248232, w0=(537950,'J/mol'), E0=(22331.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.6732134459096422, var=1.1082236828190586, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C',), comment="""BM rule fitted to 10 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C - Total Standard Deviation in ln(k): 3.8019198602869193"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O", + kinetics = ArrheniusBM(A=(146.347,'m^3/(mol*s)'), n=1.39949, w0=(554.864,'kJ/mol'), E0=(49.4113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19289013079411457, var=0.479240275164173, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O',), comment="""BM rule fitted to 11 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O + Total Standard Deviation in ln(k): 1.8724701739521827"""), rank = 11, - shortDesc = """BM rule fitted to 10 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C -Total Standard Deviation in ln(k): 3.8019198602869193""", + shortDesc = """BM rule fitted to 11 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O +Total Standard Deviation in ln(k): 1.8724701739521827""", longDesc = """ -BM rule fitted to 10 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C -Total Standard Deviation in ln(k): 3.8019198602869193 +BM rule fitted to 11 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O +Total Standard Deviation in ln(k): 1.8724701739521827 """, ) entry( index = 98, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_N-4CHNS->C", - kinetics = ArrheniusBM(A=(7.19e-07,'m^3/(mol*s)'), n=3.13, w0=(515000,'J/mol'), E0=(51500,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_N-4CHNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_N-4CHNS->C + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_2R!H->O", + kinetics = ArrheniusBM(A=(2.41e+07,'m^3/(mol*s)'), n=1.69962e-08, w0=(631.5,'kJ/mol'), E0=(74.5352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_2R!H->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_N-4CHNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_2R!H->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_N-4CHNS->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_2R!H->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 99, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_2R!H->C", - kinetics = ArrheniusBM(A=(3.61e+06,'m^3/(mol*s)'), n=0, w0=(549500,'J/mol'), E0=(54950,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O", + kinetics = ArrheniusBM(A=(144.139,'m^3/(mol*s)'), n=1.40126, w0=(547.2,'kJ/mol'), E0=(49.3332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14227420675438204, var=0.18803665103156347, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O',), comment="""BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O + Total Standard Deviation in ln(k): 1.226790022772078"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O +Total Standard Deviation in ln(k): 1.226790022772078""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 10 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O +Total Standard Deviation in ln(k): 1.226790022772078 """, ) entry( index = 100, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(48483.4,'m^3/(mol*s)'), n=0.959594, w0=(609250,'J/mol'), E0=(60925,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.6761713695632989, var=0.41113237262952895, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C - Total Standard Deviation in ln(k): 2.984351249045606"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS", + kinetics = ArrheniusBM(A=(3.61e+06,'m^3/(mol*s)'), n=-1.0817e-08, w0=(539,'kJ/mol'), E0=(93.3082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C -Total Standard Deviation in ln(k): 2.984351249045606""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C -Total Standard Deviation in ln(k): 2.984351249045606 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 101, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_2R!H->C", - kinetics = ArrheniusBM(A=(400,'m^3/(mol*s)'), n=1.5, w0=(564000,'J/mol'), E0=(56400,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS", + kinetics = ArrheniusBM(A=(142.306,'m^3/(mol*s)'), n=1.40303, w0=(548.111,'kJ/mol'), E0=(49.3286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2507032447770549, var=0.19938217125944627, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS',), comment="""BM rule fitted to 9 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS + Total Standard Deviation in ln(k): 1.5250665832466996"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 9 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS +Total Standard Deviation in ln(k): 1.5250665832466996""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 9 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS +Total Standard Deviation in ln(k): 1.5250665832466996 """, ) entry( index = 102, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(26.4856,'m^3/(mol*s)'), n=1.82402, w0=(573250,'J/mol'), E0=(52116.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.20147811603791788, var=0.27148248712845674, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C - Total Standard Deviation in ln(k): 1.5507732128102802"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_2CNS->S", + kinetics = ArrheniusBM(A=(979000,'m^3/(mol*s)'), n=-3.98006e-09, w0=(537.5,'kJ/mol'), E0=(39.0052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_2CNS->S',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_2CNS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C -Total Standard Deviation in ln(k): 1.5507732128102802""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_2CNS->S +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C -Total Standard Deviation in ln(k): 1.5507732128102802 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_2CNS->S +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 103, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS", - kinetics = ArrheniusBM(A=(7.38112e+07,'m^3/(mol*s)'), n=-3.24554e-09, w0=(655500,'J/mol'), E0=(7107.41,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.06280608228446091, var=6.8952486502763435, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS - Total Standard Deviation in ln(k): 5.421999069670699"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S", + kinetics = ArrheniusBM(A=(139.695,'m^3/(mol*s)'), n=1.40572, w0=(549.438,'kJ/mol'), E0=(41.5715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17478680106162892, var=0.10975835600589888, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S + Total Standard Deviation in ln(k): 1.1033275117889518"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS -Total Standard Deviation in ln(k): 5.421999069670699""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S +Total Standard Deviation in ln(k): 1.1033275117889518""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS -Total Standard Deviation in ln(k): 5.421999069670699 +BM rule fitted to 8 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S +Total Standard Deviation in ln(k): 1.1033275117889518 """, ) entry( index = 104, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS", - kinetics = ArrheniusBM(A=(1.33617e+07,'m^3/(mol*s)'), n=-0.103414, w0=(663500,'J/mol'), E0=(25127,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.04090083298548687, var=1.1654817577770016, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS',), comment="""BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS - Total Standard Deviation in ln(k): 2.2670273905941976"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O", + kinetics = ArrheniusBM(A=(127.638,'m^3/(mol*s)'), n=1.41908, w0=(593.5,'kJ/mol'), E0=(58.9912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1953269733829577, var=0.0886597043625028, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O + Total Standard Deviation in ln(k): 1.0876967857044384"""), rank = 11, - shortDesc = """BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS -Total Standard Deviation in ln(k): 2.2670273905941976""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O +Total Standard Deviation in ln(k): 1.0876967857044384""", longDesc = """ -BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS -Total Standard Deviation in ln(k): 2.2670273905941976 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O +Total Standard Deviation in ln(k): 1.0876967857044384 """, ) entry( index = 105, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R", - kinetics = ArrheniusBM(A=(8.34831e-40,'m^3/(mol*s)'), n=13.7834, w0=(648500,'J/mol'), E0=(-48242.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-2.1311443344629586, var=3.4442370952847847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R - Total Standard Deviation in ln(k): 9.075152857245785"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_1CNS->C", + kinetics = ArrheniusBM(A=(2.89e+06,'m^3/(mol*s)'), n=1.98909e-09, w0=(539,'kJ/mol'), E0=(60.3624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_1CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R -Total Standard Deviation in ln(k): 9.075152857245785""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_1CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R -Total Standard Deviation in ln(k): 9.075152857245785 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_1CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 106, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_4CN->C", - kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(638000,'J/mol'), E0=(77381.5,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_4CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_4CN->C + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_N-1CNS->C", + kinetics = ArrheniusBM(A=(126.016,'m^3/(mol*s)'), n=1.42089, w0=(648,'kJ/mol'), E0=(54.0633,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_N-1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_N-1CNS->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_4CN->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_N-1CNS->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_4CN->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_5BrCClOS->O_N-1CNS->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 107, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C", - kinetics = ArrheniusBM(A=(44.6418,'m^3/(mol*s)'), n=1.56985, w0=(603900,'J/mol'), E0=(22091.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.1610562744436888, var=4.093886631501787, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C - Total Standard Deviation in ln(k): 4.46091569890246"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O", + kinetics = ArrheniusBM(A=(1.38436e+07,'m^3/(mol*s)'), n=-0.304179, w0=(534.75,'kJ/mol'), E0=(30.0612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14508322974677523, var=0.22718626908316414, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O + Total Standard Deviation in ln(k): 1.3200688739406718"""), rank = 11, - shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C -Total Standard Deviation in ln(k): 4.46091569890246""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O +Total Standard Deviation in ln(k): 1.3200688739406718""", longDesc = """ -BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C -Total Standard Deviation in ln(k): 4.46091569890246 +BM rule fitted to 6 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O +Total Standard Deviation in ln(k): 1.3200688739406718 """, ) entry( index = 108, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0", - kinetics = ArrheniusBM(A=(41.769,'m^3/(mol*s)'), n=1.71947, w0=(595400,'J/mol'), E0=(23393.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.059443513509909215, var=0.4132725572855109, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 - Total Standard Deviation in ln(k): 1.4381251318640216"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS", + kinetics = ArrheniusBM(A=(8.57298e+06,'m^3/(mol*s)'), n=-0.225015, w0=(533.9,'kJ/mol'), E0=(31.6644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1312295035868316, var=0.1304867938215465, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS + Total Standard Deviation in ln(k): 1.0538919374253954"""), rank = 11, - shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 -Total Standard Deviation in ln(k): 1.4381251318640216""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS +Total Standard Deviation in ln(k): 1.0538919374253954""", longDesc = """ -BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0 -Total Standard Deviation in ln(k): 1.4381251318640216 +BM rule fitted to 5 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS +Total Standard Deviation in ln(k): 1.0538919374253954 """, ) entry( index = 109, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0", - kinetics = ArrheniusBM(A=(564726,'m^3/(mol*s)'), n=-0.242464, w0=(599667,'J/mol'), E0=(42555.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=2.455757428679977, var=11.56486943123057, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0 - Total Standard Deviation in ln(k): 12.987779484083884"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(7.91962e+08,'m^3/(mol*s)'), n=-0.897561, w0=(539,'kJ/mol'), E0=(65.8038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0440742522668757e-15, var=0.0489114988441704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R + Total Standard Deviation in ln(k): 0.4433660913390905"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0 -Total Standard Deviation in ln(k): 12.987779484083884""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R +Total Standard Deviation in ln(k): 0.4433660913390905""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0 -Total Standard Deviation in ln(k): 12.987779484083884 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R +Total Standard Deviation in ln(k): 0.4433660913390905 """, ) entry( index = 110, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C", - kinetics = ArrheniusBM(A=(1004.69,'m^3/(mol*s)'), n=1.27744, w0=(576500,'J/mol'), E0=(57650,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.2983662469973947, var=5.131928286299004, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C - Total Standard Deviation in ln(k): 7.803705422168636"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(2.86e+09,'m^3/(mol*s)'), n=-1.1, w0=(539,'kJ/mol'), E0=(60.6937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C -Total Standard Deviation in ln(k): 7.803705422168636""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C -Total Standard Deviation in ln(k): 7.803705422168636 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 111, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C", - kinetics = ArrheniusBM(A=(556.026,'m^3/(mol*s)'), n=1.27907, w0=(574750,'J/mol'), E0=(57475,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.03980613384668196, var=0.21353467318894948, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C - Total Standard Deviation in ln(k): 1.0263997235150666"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C", + kinetics = ArrheniusBM(A=(2.95928e+07,'m^3/(mol*s)'), n=-0.381632, w0=(539,'kJ/mol'), E0=(53.3889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15485077602999534, var=0.09848512049994759, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C + Total Standard Deviation in ln(k): 1.0182050608646662"""), rank = 11, - shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.0263997235150666""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C +Total Standard Deviation in ln(k): 1.0182050608646662""", longDesc = """ -BM rule fitted to 4 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.0263997235150666 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C +Total Standard Deviation in ln(k): 1.0182050608646662 """, ) entry( index = 112, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C", - kinetics = ArrheniusBM(A=(1.2,'m^3/(mol*s)'), n=2, w0=(571000,'J/mol'), E0=(57100,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R", + kinetics = ArrheniusBM(A=(3.80753e+07,'m^3/(mol*s)'), n=-0.413265, w0=(539,'kJ/mol'), E0=(54.3041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_1CNS->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 113, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C", - kinetics = ArrheniusBM(A=(330.615,'m^3/(mol*s)'), n=1.27907, w0=(621500,'J/mol'), E0=(62150,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.5988305691570073, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C - Total Standard Deviation in ln(k): 1.5045994199924806"""), + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_N-1CNS->C", + kinetics = ArrheniusBM(A=(644,'m^3/(mol*s)'), n=1.19, w0=(513.5,'kJ/mol'), E0=(41.9102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_N-1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_N-1CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.5045994199924806""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_N-1CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 1.5045994199924806 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_Sp-5CS-4CCNSS_N-1CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 114, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS", - kinetics = ArrheniusBM(A=(3.61e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS + label = "Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_N-Sp-5CS-4CCNSS", + kinetics = ArrheniusBM(A=(1.52e+08,'m^3/(mol*s)'), n=-0.7, w0=(539,'kJ/mol'), E0=(73.2955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_N-Sp-5CS-4CCNSS',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_N-Sp-5CS-4CCNSS Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_N-Sp-5CS-4CCNSS Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_Sp-5R!H#4CCCNNNSSS +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_5R!H-u0_N-4R->O_N-5R!H->N_N-1R!H->O_N-2R!H->O_N-Sp-5BrBrBrCCCCCClClClNNOOOSSSSS#4BrBrBrCCCCCCClClClNNNOOOSSSSSS_N-2CNS->S_N-5BrCClOS->O_N-Sp-5CS-4CCNSS Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 115, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS", - kinetics = ArrheniusBM(A=(369.15,'m^3/(mol*s)'), n=1.26281, w0=(548111,'J/mol'), E0=(46919.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.19390939481463373, var=0.18238905447925002, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS',), comment="""BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS - Total Standard Deviation in ln(k): 1.3433723769367325"""), + label = "Root_Ext-4R-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(776500,'m^3/(mol*s)'), n=-0.28929, w0=(570.583,'kJ/mol'), E0=(30.7074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1243636117835156, var=5.51918363762847, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0',), comment="""BM rule fitted to 36 training reactions at node Root_Ext-4R-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 7.534746860762618"""), rank = 11, - shortDesc = """BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS -Total Standard Deviation in ln(k): 1.3433723769367325""", + shortDesc = """BM rule fitted to 36 training reactions at node Root_Ext-4R-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 7.534746860762618""", longDesc = """ -BM rule fitted to 9 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS -Total Standard Deviation in ln(k): 1.3433723769367325 +BM rule fitted to 36 training reactions at node Root_Ext-4R-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 7.534746860762618 """, ) entry( index = 116, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C", - kinetics = ArrheniusBM(A=(265.595,'m^3/(mol*s)'), n=1.19634, w0=(550667,'J/mol'), E0=(55066.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.03752710350769617, var=2.3527370323157824, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C - Total Standard Deviation in ln(k): 3.1692790336585617"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(655124,'m^3/(mol*s)'), n=-0.411562, w0=(569.967,'kJ/mol'), E0=(1.79182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06415501334490731, var=7.264455804505767, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H',), comment="""BM rule fitted to 30 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 5.5644866759519065"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C -Total Standard Deviation in ln(k): 3.1692790336585617""", + shortDesc = """BM rule fitted to 30 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 5.5644866759519065""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C -Total Standard Deviation in ln(k): 3.1692790336585617 +BM rule fitted to 30 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 5.5644866759519065 """, ) entry( index = 117, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C", - kinetics = ArrheniusBM(A=(12.3143,'m^3/(mol*s)'), n=1.5703, w0=(547500,'J/mol'), E0=(78127.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.3006228376348046, var=0.597653593422656, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C - Total Standard Deviation in ln(k): 2.3051555325691324"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C", + kinetics = ArrheniusBM(A=(607954,'m^3/(mol*s)'), n=-0.425754, w0=(566.19,'kJ/mol'), E0=(0.547918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.038430210090507906, var=6.353483772989122, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C',), comment="""BM rule fitted to 29 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C + Total Standard Deviation in ln(k): 5.149717179610776"""), rank = 11, - shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C -Total Standard Deviation in ln(k): 2.3051555325691324""", + shortDesc = """BM rule fitted to 29 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C +Total Standard Deviation in ln(k): 5.149717179610776""", longDesc = """ -BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C -Total Standard Deviation in ln(k): 2.3051555325691324 +BM rule fitted to 29 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C +Total Standard Deviation in ln(k): 5.149717179610776 """, ) entry( index = 118, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(260.548,'m^3/(mol*s)'), n=1.2433, w0=(537333,'J/mol'), E0=(31366,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.010636409468894204, var=1.4552981397233726, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 2.445151611974016"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.72073e+07,'m^3/(mol*s)'), n=-1.02487, w0=(567.205,'kJ/mol'), E0=(0.666113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01713673903894337, var=4.234308930350632, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R',), comment="""BM rule fitted to 22 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.168288009305458"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 2.445151611974016""", + shortDesc = """BM rule fitted to 22 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.168288009305458""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 2.445151611974016 +BM rule fitted to 22 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.168288009305458 """, ) entry( index = 119, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(209.849,'m^3/(mol*s)'), n=1.2433, w0=(591250,'J/mol'), E0=(59125,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.5787018105298811, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 1.4540246495725655"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(3.20183,'m^3/(mol*s)'), n=1.1452, w0=(563,'kJ/mol'), E0=(5.97203,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2957382636730137, var=1.1971718498505262, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 2.936548836454607"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.4540246495725655""", + shortDesc = """BM rule fitted to 9 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 2.936548836454607""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.4540246495725655 +BM rule fitted to 9 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 2.936548836454607 """, ) entry( index = 120, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C", - kinetics = ArrheniusBM(A=(3.01e+07,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C", + kinetics = ArrheniusBM(A=(288843,'m^3/(mol*s)'), n=-0.320302, w0=(563,'kJ/mol'), E0=(40.1545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11701209588070298, var=0.292066247257673, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C + Total Standard Deviation in ln(k): 1.3774223020512757"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C +Total Standard Deviation in ln(k): 1.3774223020512757""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 8 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C +Total Standard Deviation in ln(k): 1.3774223020512757 """, ) entry( index = 121, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(500,'m^3/(mol*s)'), n=1.5, w0=(590000,'J/mol'), E0=(59000,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R", + kinetics = ArrheniusBM(A=(10000,'m^3/(mol*s)'), n=3.74264e-10, w0=(563,'kJ/mol'), E0=(20.6899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.617773692538028e-10, var=3.1181350595307165e-20, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R + Total Standard Deviation in ln(k): 7.604767709719698e-10"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R +Total Standard Deviation in ln(k): 7.604767709719698e-10""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R +Total Standard Deviation in ln(k): 7.604767709719698e-10 """, ) entry( index = 122, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->C", - kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(577500,'J/mol'), E0=(57750,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(10000,'m^3/(mol*s)'), n=-2.10386e-09, w0=(563,'kJ/mol'), E0=(20.6597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.252493831571836e-10, var=4.893548045035749e-19, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R + Total Standard Deviation in ln(k): 2.2195998652371276e-09"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.2195998652371276e-09""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.2195998652371276e-09 """, ) entry( index = 123, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(4747.78,'m^3/(mol*s)'), n=1.1268, w0=(573833,'J/mol'), E0=(53979.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.015461369399676534, var=0.5264999263267074, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C - Total Standard Deviation in ln(k): 1.4934897420245925"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(10000,'m^3/(mol*s)'), n=-6.65017e-10, w0=(563,'kJ/mol'), E0=(21.6124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 1.4934897420245925""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 1.4934897420245925 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-6C-R_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 124, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C", - kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(558500,'J/mol'), E0=(55850,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(10974.5,'m^3/(mol*s)'), n=-1.1021e-09, w0=(563,'kJ/mol'), E0=(19.682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.372810945808781e-10, var=0.06917824979652475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-1C-R + Total Standard Deviation in ln(k): 0.5272805791222012"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.5272805791222012""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_Sp-6C-1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.5272805791222012 """, ) entry( index = 125, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(684500,'J/mol'), E0=(68450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_N-Sp-6C-1C", + kinetics = ArrheniusBM(A=(602200,'m^3/(mol*s)'), n=4.61664e-08, w0=(563,'kJ/mol'), E0=(40.0728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_N-Sp-6C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_N-Sp-6C-1C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_N-Sp-6C-1C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_6R!H->C_N-Sp-6C-1C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 126, - label = "Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-8R!H-R", - kinetics = ArrheniusBM(A=(10000,'m^3/(mol*s)'), n=0, w0=(563000,'J/mol'), E0=(20706.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-8R!H-R - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.33405e+12,'m^3/(mol*s)'), n=-2.52722, w0=(570.115,'kJ/mol'), E0=(0.95777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020043834452152316, var=5.12317105465127, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 13 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 4.58796357164748"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-8R!H-R -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 13 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.58796357164748""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_4R->O_Ext-4O-R_Sp-5R!H-1R!H_Ext-5R!H-R_Ext-1R!H-R_Ext-8R!H-R -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 13 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.58796357164748 """, ) entry( index = 127, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C", - kinetics = ArrheniusBM(A=(4.90603e+06,'m^3/(mol*s)'), n=-0.235751, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0008697138710928922, var=0.39521319869048593, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C - Total Standard Deviation in ln(k): 1.2624816505233833"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.23598e+13,'m^3/(mol*s)'), n=-2.8187, w0=(563,'kJ/mol'), E0=(0.640075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08595381096797143, var=3.4663820951529427, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.9484247240674986"""), rank = 11, - shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C -Total Standard Deviation in ln(k): 1.2624816505233833""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.9484247240674986""", longDesc = """ -BM rule fitted to 5 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C -Total Standard Deviation in ln(k): 1.2624816505233833 +BM rule fitted to 8 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.9484247240674986 """, ) entry( index = 128, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C", - kinetics = ArrheniusBM(A=(241000,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.64836e+15,'m^3/(mol*s)'), n=-3.33251, w0=(563,'kJ/mol'), E0=(1.76458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1412697334175288, var=5.133979752629748, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.897335377475607"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.897335377475607""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_N-7R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.897335377475607 """, ) entry( index = 129, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C", - kinetics = ArrheniusBM(A=(6.03e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.17232e+17,'m^3/(mol*s)'), n=-3.86313, w0=(563,'kJ/mol'), E0=(-22.2352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16646402296399507, var=14.510596595318958, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 8.05484393860032"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 8.05484393860032""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-1C-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 8.05484393860032 """, ) entry( index = 130, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C", - kinetics = ArrheniusBM(A=(772178,'m^3/(mol*s)'), n=0.0249446, w0=(537833,'J/mol'), E0=(23950.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.5224495907336478, var=0.6251865196623992, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C',), comment="""BM rule fitted to 9 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C - Total Standard Deviation in ln(k): 2.8978061230720504"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.63887e+13,'m^3/(mol*s)'), n=-2.80189, w0=(563,'kJ/mol'), E0=(1.77524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015793750389594834, var=19.788281635221352, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 8.957550606463286"""), rank = 11, - shortDesc = """BM rule fitted to 9 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C -Total Standard Deviation in ln(k): 2.8978061230720504""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 8.957550606463286""", longDesc = """ -BM rule fitted to 9 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C -Total Standard Deviation in ln(k): 2.8978061230720504 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 8.957550606463286 """, ) entry( index = 131, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_2NO->N", - kinetics = ArrheniusBM(A=(720,'m^3/(mol*s)'), n=1.5, w0=(576500,'J/mol'), E0=(57650,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_2NO->N - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C", + kinetics = ArrheniusBM(A=(6.16313e+13,'m^3/(mol*s)'), n=-2.80189, w0=(563,'kJ/mol'), E0=(2.75644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1342584738306164, var=16.351560980043935, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C + Total Standard Deviation in ln(k): 8.443892795238002"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_2NO->N -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C +Total Standard Deviation in ln(k): 8.443892795238002""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_2NO->N -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C +Total Standard Deviation in ln(k): 8.443892795238002 """, ) entry( index = 132, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_N-2NO->N", - kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=0, w0=(642000,'J/mol'), E0=(64200,'J/mol'), Tmin=(300,'K'), Tmax=(1000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_N-2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_N-2NO->N - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.32924e+13,'m^3/(mol*s)'), n=-2.80189, w0=(563,'kJ/mol'), E0=(0.669821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19627989925924563, var=48.69127306669605, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 14.482032998279706"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_N-2NO->N -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.482032998279706""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_1CN->C_N-2R!H->C_N-2NO->N -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_2R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.482032998279706 """, ) entry( index = 133, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N", - kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(534500,'J/mol'), E0=(53450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(300000,'m^3/(mol*s)'), n=-2.45082e-09, w0=(655.5,'kJ/mol'), E0=(57.4258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_2NO->N +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-1C-R_N-6R!H->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 134, - label = "Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N", - kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(612000,'J/mol'), E0=(63724.7,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.73327e+15,'m^3/(mol*s)'), n=-3.04598, w0=(563,'kJ/mol'), E0=(47.1166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4203244291514337, var=20.786642173272043, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R + Total Standard Deviation in ln(k): 10.196153903805083"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 10.196153903805083""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_4R->H_Sp-2R!H-1R!H_2R!H-u1_N-1R!H->O_N-1CN->C_N-2R!H->C_N-2NO->N -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 6 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 10.196153903805083 """, ) entry( index = 135, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C", - kinetics = ArrheniusBM(A=(3.01e+07,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_6R!H->C", + kinetics = ArrheniusBM(A=(7.23e+06,'m^3/(mol*s)'), n=4.65296e-09, w0=(563,'kJ/mol'), E0=(99.5729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_6R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_6R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_5R!H->C +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_6R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 136, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C", - kinetics = ArrheniusBM(A=(1.81e+08,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(56853,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(8.76105e+09,'m^3/(mol*s)'), n=-1.65753, w0=(563,'kJ/mol'), E0=(6.48886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012072905991731466, var=16.36491346411714, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C + Total Standard Deviation in ln(k): 8.140203064343185"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 8.140203064343185""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_Sp-5R!H=4CCNNOOSS_N-5R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 5 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 8.140203064343185 """, ) entry( index = 137, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R", - kinetics = ArrheniusBM(A=(2.85561e+07,'m^3/(mol*s)'), n=-0.375, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-4.305460834090209e-17, var=0.06912283083491383, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R - Total Standard Deviation in ln(k): 0.5270693322083513"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(4.23154e+13,'m^3/(mol*s)'), n=-2.80189, w0=(563,'kJ/mol'), E0=(5.63,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1342584840613585, var=21.205889442307488, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F + Total Standard Deviation in ln(k): 9.569108399118686"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R -Total Standard Deviation in ln(k): 0.5270693322083513""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F +Total Standard Deviation in ln(k): 9.569108399118686""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R -Total Standard Deviation in ln(k): 0.5270693322083513 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F +Total Standard Deviation in ln(k): 9.569108399118686 """, ) entry( index = 138, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R", - kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(56999.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.23154e+13,'m^3/(mol*s)'), n=-2.80189, w0=(563,'kJ/mol'), E0=(5.63,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18615536803375998, var=73.03247311459805, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F_Ext-2R!H-R + Total Standard Deviation in ln(k): 17.60000033027513"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 17.60000033027513""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_6BrClFINOPSSi->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 17.60000033027513 """, ) entry( index = 139, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C", - kinetics = ArrheniusBM(A=(5.1898e+06,'m^3/(mol*s)'), n=-3.43792e-07, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.4852771291652849e-07, var=1.4637540075814492, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C - Total Standard Deviation in ln(k): 2.4254431787653163"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_N-6BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(250000,'m^3/(mol*s)'), n=1.90284e-08, w0=(563,'kJ/mol'), E0=(43.8225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_N-6BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_N-6BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C -Total Standard Deviation in ln(k): 2.4254431787653163""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_N-6BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C -Total Standard Deviation in ln(k): 2.4254431787653163 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_1R!H->C_Ext-2R!H-R_N-6R!H->C_N-6BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 140, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C", - kinetics = ArrheniusBM(A=(2.63176e+08,'m^3/(mol*s)'), n=-0.401293, w0=(679500,'J/mol'), E0=(37186.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.1741100101612896, var=4.186068487337028, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C - Total Standard Deviation in ln(k): 7.051689842241445"""), + label = "Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_N-1R!H->C", + kinetics = ArrheniusBM(A=(5.7209e+06,'m^3/(mol*s)'), n=-4.43934e-09, w0=(679.5,'kJ/mol'), E0=(20.4355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C -Total Standard Deviation in ln(k): 7.051689842241445""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C -Total Standard Deviation in ln(k): 7.051689842241445 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 141, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N", - kinetics = ArrheniusBM(A=(0.0294,'m^3/(mol*s)'), n=2.69, w0=(662000,'J/mol'), E0=(33464.5,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(950165,'m^3/(mol*s)'), n=-0.308952, w0=(573.667,'kJ/mol'), E0=(59.6842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0468955394415076, var=6.087958136454598, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 10.089394443732958"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 10.089394443732958""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_2NOS->N -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 6 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 10.089394443732958 """, ) entry( index = 142, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_N-2NOS->N", - kinetics = ArrheniusBM(A=(0.029,'m^3/(mol*s)'), n=2.69, w0=(635000,'J/mol'), E0=(6270.39,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_N-2NOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_N-2NOS->N - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(352958,'m^3/(mol*s)'), n=0.197935, w0=(551.5,'kJ/mol'), E0=(87.5784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03699330182848172, var=5.1442180855320405, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.639861317172213"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_N-2NOS->N -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.639861317172213""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_4CNOS->O_Ext-4O-R_N-2NOS->N -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 4 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.639861317172213 """, ) entry( index = 143, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R", - kinetics = ArrheniusBM(A=(1.76809e+09,'m^3/(mol*s)'), n=-0.613668, w0=(598500,'J/mol'), E0=(43328.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.47302926670052275, var=7.002677954598716, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R - Total Standard Deviation in ln(k): 6.493560675869729"""), + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C", + kinetics = ArrheniusBM(A=(513434,'m^3/(mol*s)'), n=0.224022, w0=(551.5,'kJ/mol'), E0=(96.3318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05606756913246103, var=6.684355600619972, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C + Total Standard Deviation in ln(k): 5.323939566736375"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R -Total Standard Deviation in ln(k): 6.493560675869729""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C +Total Standard Deviation in ln(k): 5.323939566736375""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R -Total Standard Deviation in ln(k): 6.493560675869729 +BM rule fitted to 3 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C +Total Standard Deviation in ln(k): 5.323939566736375 """, ) entry( index = 144, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N", - kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(625500,'J/mol'), E0=(51859.9,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(300000,'m^3/(mol*s)'), n=-2.50635e-09, w0=(551.5,'kJ/mol'), E0=(63.4442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_2NOS->N +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_6R!H->C_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 145, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_N-2NOS->N", - kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(598500,'J/mol'), E0=(35268.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_N-2NOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_N-2NOS->N + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(300000,'m^3/(mol*s)'), n=-1.83134e-09, w0=(551.5,'kJ/mol'), E0=(62.2666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_N-6R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_N-2NOS->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_N-6R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_N-2NOS->N +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_Ext-2R!H-R_N-6R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 146, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(55.3682,'m^3/(mol*s)'), n=1.72068, w0=(573833,'J/mol'), E0=(26330,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.16555948575625073, var=0.14398858117357702, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 1.1766919183137672"""), + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_1R!H->C", + kinetics = ArrheniusBM(A=(2.6e+09,'m^3/(mol*s)'), n=-1.26, w0=(551.5,'kJ/mol'), E0=(36.7181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.1766919183137672""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 1.1766919183137672 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 147, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(27.368,'m^3/(mol*s)'), n=1.71766, w0=(627750,'J/mol'), E0=(62775,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.8809875394276374, var=0.011502560091510204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 2.4285443457657907"""), + label = "Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_N-1R!H->C", + kinetics = ArrheniusBM(A=(1.2e+06,'m^3/(mol*s)'), n=-0.34, w0=(684.5,'kJ/mol'), E0=(61.3041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 2.4285443457657907""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 2.4285443457657907 +BM rule fitted to 1 training reactions at node Root_Ext-4R-R_N-5R!H-u0_N-Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 148, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(7.23e+06,'m^3/(mol*s)'), n=0, w0=(563000,'J/mol'), E0=(92345.7,'J/mol'), Tmin=(700,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C", + kinetics = ArrheniusBM(A=(24.011,'m^3/(mol*s)'), n=1.51053, w0=(549.943,'kJ/mol'), E0=(72.7497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08451911009736333, var=0.900688634295015, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_4R->C',), comment="""BM rule fitted to 35 training reactions at node Root_4R->C + Total Standard Deviation in ln(k): 2.1149457217623198"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 35 training reactions at node Root_4R->C +Total Standard Deviation in ln(k): 2.1149457217623198""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 35 training reactions at node Root_4R->C +Total Standard Deviation in ln(k): 2.1149457217623198 """, ) entry( index = 149, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS", - kinetics = ArrheniusBM(A=(587946,'m^3/(mol*s)'), n=-0.248363, w0=(618000,'J/mol'), E0=(21389.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.394125347182226, var=15.830042173788614, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS - Total Standard Deviation in ln(k): 11.479064056591858"""), + label = "Root_4R->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(404827,'m^3/(mol*s)'), n=-0.0145807, w0=(537.647,'kJ/mol'), E0=(54.5519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07290748688481896, var=0.8966320172176512, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R',), comment="""BM rule fitted to 17 training reactions at node Root_4R->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.0814814191612334"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 11.479064056591858""", + shortDesc = """BM rule fitted to 17 training reactions at node Root_4R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0814814191612334""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS -Total Standard Deviation in ln(k): 11.479064056591858 +BM rule fitted to 17 training reactions at node Root_4R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0814814191612334 """, ) entry( index = 150, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C", - kinetics = ArrheniusBM(A=(2.41e+07,'m^3/(mol*s)'), n=0, w0=(563000,'J/mol'), E0=(56300,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1", + kinetics = ArrheniusBM(A=(463468,'m^3/(mol*s)'), n=-0.0491774, w0=(537.562,'kJ/mol'), E0=(45.5477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0483137282522932, var=0.6790439882299287, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1',), comment="""BM rule fitted to 16 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1 + Total Standard Deviation in ln(k): 1.7733756840516555"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 16 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1 +Total Standard Deviation in ln(k): 1.7733756840516555""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 16 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1 +Total Standard Deviation in ln(k): 1.7733756840516555 """, ) entry( index = 151, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(3.6,'m^3/(mol*s)'), n=2, w0=(590000,'J/mol'), E0=(59000,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(7.36349e+07,'m^3/(mol*s)'), n=-0.723491, w0=(539,'kJ/mol'), E0=(78.3056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002702652215404856, var=0.35574106651318294, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H',), comment="""BM rule fitted to 14 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 1.2024954333401863"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 14 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 1.2024954333401863""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 14 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 1.2024954333401863 """, ) entry( index = 152, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N", - kinetics = ArrheniusBM(A=(467.561,'m^3/(mol*s)'), n=1.27907, w0=(548000,'J/mol'), E0=(54800,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.5988305691570074, var=0.9609060278364029, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N - Total Standard Deviation in ln(k): 3.469757305105129"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C", + kinetics = ArrheniusBM(A=(1.81174e+07,'m^3/(mol*s)'), n=-0.352333, w0=(539,'kJ/mol'), E0=(89.4175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.673043938742877, var=1.6020192393455173, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C + Total Standard Deviation in ln(k): 4.228476376394494"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N -Total Standard Deviation in ln(k): 3.469757305105129""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C +Total Standard Deviation in ln(k): 4.228476376394494""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N -Total Standard Deviation in ln(k): 3.469757305105129 +BM rule fitted to 3 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C +Total Standard Deviation in ln(k): 4.228476376394494 """, ) entry( index = 153, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N", - kinetics = ArrheniusBM(A=(661.23,'m^3/(mol*s)'), n=1.27907, w0=(601500,'J/mol'), E0=(60150,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.5988305691570073, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N - Total Standard Deviation in ln(k): 1.5045994199924806"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H", + kinetics = ArrheniusBM(A=(8.32046e+06,'m^3/(mol*s)'), n=-0.32, w0=(539,'kJ/mol'), E0=(51.5134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.305460834090209e-17, var=0.8378904353806397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H + Total Standard Deviation in ln(k): 1.835061424603026"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N -Total Standard Deviation in ln(k): 1.5045994199924806""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H +Total Standard Deviation in ln(k): 1.835061424603026""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N -Total Standard Deviation in ln(k): 1.5045994199924806 +BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H +Total Standard Deviation in ln(k): 1.835061424603026 """, ) entry( index = 154, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C", - kinetics = ArrheniusBM(A=(1.2,'m^3/(mol*s)'), n=2, w0=(558500,'J/mol'), E0=(55850,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.02e+06,'m^3/(mol*s)'), n=-0.32, w0=(539,'kJ/mol'), E0=(73.0485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_2R!H->C +BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_Sp-5C-1R!H_Ext-1R!H-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 155, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(1.2,'m^3/(mol*s)'), n=2, w0=(684500,'J/mol'), E0=(68450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_N-Sp-5C-1R!H", + kinetics = ArrheniusBM(A=(3.01e+06,'m^3/(mol*s)'), n=-5.07736e-08, w0=(539,'kJ/mol'), E0=(97.3172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_N-Sp-5C-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_N-Sp-5C-1R!H Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_N-Sp-5C-1R!H Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_N-Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C +BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_5R!H->C_N-Sp-5C-1R!H Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 156, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_2R!H->S", - kinetics = ArrheniusBM(A=(979000,'m^3/(mol*s)'), n=0, w0=(537500,'J/mol'), E0=(38210.6,'J/mol'), Tmin=(298,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_2R!H->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_2R!H->S - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C", + kinetics = ArrheniusBM(A=(9.04475e+06,'m^3/(mol*s)'), n=-0.517587, w0=(539,'kJ/mol'), E0=(61.3831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01629722331436013, var=0.13100754226385294, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C + Total Standard Deviation in ln(k): 0.7665609378487975"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_2R!H->S -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 11 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C +Total Standard Deviation in ln(k): 0.7665609378487975""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_2R!H->S -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 11 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C +Total Standard Deviation in ln(k): 0.7665609378487975 """, ) entry( index = 157, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S", - kinetics = ArrheniusBM(A=(363.33,'m^3/(mol*s)'), n=1.26517, w0=(549438,'J/mol'), E0=(41379.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.1533575328403071, var=0.10389045665815419, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S - Total Standard Deviation in ln(k): 1.031487497319548"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.5e+06,'m^3/(mol*s)'), n=-0.5, w0=(539,'kJ/mol'), E0=(54.1226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.037035007078573774, var=0.006857958746550191, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.25907049334006665"""), rank = 11, - shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S -Total Standard Deviation in ln(k): 1.031487497319548""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.25907049334006665""", longDesc = """ -BM rule fitted to 8 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S -Total Standard Deviation in ln(k): 1.031487497319548 +BM rule fitted to 5 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.25907049334006665 """, ) entry( index = 158, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C", - kinetics = ArrheniusBM(A=(460.84,'m^3/(mol*s)'), n=1.19515, w0=(552500,'J/mol'), E0=(55250,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.1546561267678964, var=0.37853885495848577, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C - Total Standard Deviation in ln(k): 1.6220067411055652"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.5e+06,'m^3/(mol*s)'), n=-0.5, w0=(539,'kJ/mol'), E0=(55.4061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04415753715576519, var=0.005849664262988705, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.26427693498815824"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C -Total Standard Deviation in ln(k): 1.6220067411055652""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.26427693498815824""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C -Total Standard Deviation in ln(k): 1.6220067411055652 +BM rule fitted to 3 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.26427693498815824 """, ) entry( index = 159, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_N-Sp-2R!H-1C", - kinetics = ArrheniusBM(A=(0.81,'m^3/(mol*s)'), n=1.87, w0=(547000,'J/mol'), E0=(54700,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_N-Sp-2R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_N-Sp-2R!H-1C + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.5e+06,'m^3/(mol*s)'), n=-0.5, w0=(539,'kJ/mol'), E0=(53.2409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_N-Sp-2R!H-1C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_N-Sp-2R!H-1C +BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 160, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C", - kinetics = ArrheniusBM(A=(69.6524,'m^3/(mol*s)'), n=1.34293, w0=(544000,'J/mol'), E0=(54400,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.43780050013999694, var=0.5999111817527254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C - Total Standard Deviation in ln(k): 2.6527474307051118"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9.19239e+06,'m^3/(mol*s)'), n=-0.5, w0=(539,'kJ/mol'), E0=(60.5466,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010398873315128784, var=0.3447320429486115, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2031856938026997"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 2.6527474307051118""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2031856938026997""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C -Total Standard Deviation in ln(k): 2.6527474307051118 +BM rule fitted to 4 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2031856938026997 """, ) entry( index = 161, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C", - kinetics = ArrheniusBM(A=(0.725143,'m^3/(mol*s)'), n=1.93933, w0=(549833,'J/mol'), E0=(76446.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.008417366290780803, var=1.809976781745819, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C - Total Standard Deviation in ln(k): 2.718227067151954"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9.19239e+06,'m^3/(mol*s)'), n=-0.5, w0=(539,'kJ/mol'), E0=(59.8495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.749829501362376e-16, var=0.9609060278364042, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.9651578851126517"""), rank = 11, - shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 2.718227067151954""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9651578851126517""", longDesc = """ -BM rule fitted to 3 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C -Total Standard Deviation in ln(k): 2.718227067151954 +BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_Sp-2R!H-1R!H_N-5R!H->C_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9651578851126517 """, ) entry( index = 162, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N", - kinetics = ArrheniusBM(A=(207.556,'m^3/(mol*s)'), n=1.2433, w0=(511500,'J/mol'), E0=(51150,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.5787018105298811, var=3.7227133182354435, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N - Total Standard Deviation in ln(k): 5.322027504076752"""), + label = "Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(5.78471e+08,'m^3/(mol*s)'), n=-0.622949, w0=(527.5,'kJ/mol'), E0=(86.368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07452347523879468, var=1.1867418982987987, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 2.371156875177686"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N -Total Standard Deviation in ln(k): 5.322027504076752""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 2.371156875177686""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N -Total Standard Deviation in ln(k): 5.322027504076752 +BM rule fitted to 2 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 2.371156875177686 """, ) entry( index = 163, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N", - kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(589000,'J/mol'), E0=(45404.8,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N + label = "Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_5R!H->C", + kinetics = ArrheniusBM(A=(3e+06,'m^3/(mol*s)'), n=-3.66973e-09, w0=(527.5,'kJ/mol'), E0=(79.399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_5R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_5R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_N-2R!H->N +BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_5R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 164, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_1CNS->C", - kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(534500,'J/mol'), E0=(53450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_1CNS->C + label = "Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_N-5R!H->C", + kinetics = ArrheniusBM(A=(5e+06,'m^3/(mol*s)'), n=-8.85926e-10, w0=(527.5,'kJ/mol'), E0=(75.7495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_N-5R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_N-5R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_1CNS->C +BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_4C-u1_N-Sp-2R!H-1R!H_N-5R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 165, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_N-1CNS->C", - kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(648000,'J/mol'), E0=(64800,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_N-1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_N-1CNS->C + label = "Root_4R->C_Ext-1R!H-R_N-4C-u1", + kinetics = ArrheniusBM(A=(1.81e+06,'m^3/(mol*s)'), n=8.75878e-09, w0=(539,'kJ/mol'), E0=(75.9553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_Ext-1R!H-R_N-4C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_N-4C-u1 Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_N-1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_N-4C-u1 Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_N-Sp-2R!H-1CNS_N-1CNS->C +BM rule fitted to 1 training reactions at node Root_4R->C_Ext-1R!H-R_N-4C-u1 Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 166, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1", - kinetics = ArrheniusBM(A=(400.418,'m^3/(mol*s)'), n=1.43269, w0=(586750,'J/mol'), E0=(45173.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.23284945485790864, var=0.6476388655306268, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1 - Total Standard Deviation in ln(k): 2.1983797414238784"""), + label = "Root_4R->C_2R!H->C", + kinetics = ArrheniusBM(A=(42.5674,'m^3/(mol*s)'), n=1.42312, w0=(560.045,'kJ/mol'), E0=(57.3194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.506238399393772, var=1.9125601475850922, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_4R->C_2R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_4R->C_2R!H->C + Total Standard Deviation in ln(k): 4.044410998479461"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1 -Total Standard Deviation in ln(k): 2.1983797414238784""", + shortDesc = """BM rule fitted to 11 training reactions at node Root_4R->C_2R!H->C +Total Standard Deviation in ln(k): 4.044410998479461""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1 -Total Standard Deviation in ln(k): 2.1983797414238784 +BM rule fitted to 11 training reactions at node Root_4R->C_2R!H->C +Total Standard Deviation in ln(k): 4.044410998479461 """, ) entry( index = 167, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_N-2NO-u1", - kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(548000,'J/mol'), E0=(54800,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_N-2NO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_N-2NO-u1 - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_2R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.09946e+07,'m^3/(mol*s)'), n=-0.4, w0=(536.7,'kJ/mol'), E0=(47.8814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4636061643243945e-08, var=3.947898544578107, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_4R->C_2R!H->C_Ext-2C-R',), comment="""BM rule fitted to 5 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 3.983272198526303"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_N-2NO-u1 -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 3.983272198526303""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_N-2NO-u1 -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 5 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 3.983272198526303 """, ) entry( index = 168, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R", - kinetics = ArrheniusBM(A=(5.25814e+07,'m^3/(mol*s)'), n=-0.55, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=3.5036392791388526, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R - Total Standard Deviation in ln(k): 3.7524652808647927"""), + label = "Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H", + kinetics = ArrheniusBM(A=(1.12583e+07,'m^3/(mol*s)'), n=-0.5, w0=(539,'kJ/mol'), E0=(64.4613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01853765538601409, var=0.8440005041450588, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H + Total Standard Deviation in ln(k): 1.8883171167316248"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -Total Standard Deviation in ln(k): 3.7524652808647927""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H +Total Standard Deviation in ln(k): 1.8883171167316248""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R -Total Standard Deviation in ln(k): 3.7524652808647927 +BM rule fitted to 4 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H +Total Standard Deviation in ln(k): 1.8883171167316248 """, ) entry( index = 169, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R", - kinetics = ArrheniusBM(A=(783000,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.12583e+07,'m^3/(mol*s)'), n=-0.5, w0=(539,'kJ/mol'), E0=(63.5161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=2.413897921625164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 3.1147015559000413"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 3.1147015559000413""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-7C-R -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_Sp-2C-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 3.1147015559000413 """, ) entry( index = 170, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Sp-7C-4C", - kinetics = ArrheniusBM(A=(843000,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Sp-7C-4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Sp-7C-4C + label = "Root_4R->C_2R!H->C_Ext-2C-R_N-Sp-2C-1R!H", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=1.85753e-08, w0=(527.5,'kJ/mol'), E0=(62.5712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_2R!H->C_Ext-2C-R_N-Sp-2C-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_N-Sp-2C-1R!H Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Sp-7C-4C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_N-Sp-2C-1R!H Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Sp-7C-4C +BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_Ext-2C-R_N-Sp-2C-1R!H Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 171, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_N-Sp-7C-4C", - kinetics = ArrheniusBM(A=(843000,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_N-Sp-7C-4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_N-Sp-7C-4C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_2R!H->C_1R!H->N", + kinetics = ArrheniusBM(A=(34.41,'m^3/(mol*s)'), n=1.44661, w0=(544,'kJ/mol'), E0=(57.9458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24762880986911356, var=0.9900765533613013, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_2R!H->C_1R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_1R!H->N + Total Standard Deviation in ln(k): 2.6169462757920474"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_N-Sp-7C-4C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_1R!H->N +Total Standard Deviation in ln(k): 2.6169462757920474""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_N-Sp-7C-4C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_1R!H->N +Total Standard Deviation in ln(k): 2.6169462757920474 """, ) entry( index = 172, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C", - kinetics = ArrheniusBM(A=(773968,'m^3/(mol*s)'), n=0.0250683, w0=(537688,'J/mol'), E0=(22302.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.6712802518990716, var=0.8880216259988452, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C',), comment="""BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C - Total Standard Deviation in ln(k): 3.5757938816348322"""), + label = "Root_4R->C_2R!H->C_1R!H->N_Sp-2C-1N", + kinetics = ArrheniusBM(A=(18.8014,'m^3/(mol*s)'), n=1.56341, w0=(553.5,'kJ/mol'), E0=(68.4458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_2R!H->C_1R!H->N_Sp-2C-1N',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_1R!H->N_Sp-2C-1N + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -Total Standard Deviation in ln(k): 3.5757938816348322""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_1R!H->N_Sp-2C-1N +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 8 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C -Total Standard Deviation in ln(k): 3.5757938816348322 +BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_1R!H->N_Sp-2C-1N +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 173, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C", - kinetics = ArrheniusBM(A=(482000,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C + label = "Root_4R->C_2R!H->C_1R!H->N_N-Sp-2C-1N", + kinetics = ArrheniusBM(A=(62.9763,'m^3/(mol*s)'), n=1.32982, w0=(534.5,'kJ/mol'), E0=(86.1655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_2R!H->C_1R!H->N_N-Sp-2C-1N',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_1R!H->N_N-Sp-2C-1N Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_1R!H->N_N-Sp-2C-1N Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_N-6BrCClFINOPSi->C +BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_1R!H->N_N-Sp-2C-1N Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 174, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R_Ext-4CNOS-R", - kinetics = ArrheniusBM(A=(3.47e+08,'m^3/(mol*s)'), n=-0.75, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R_Ext-4CNOS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R_Ext-4CNOS-R - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_2R!H->C_N-1R!H->N", + kinetics = ArrheniusBM(A=(7.10064e+07,'m^3/(mol*s)'), n=-0.043836, w0=(597.25,'kJ/mol'), E0=(79.0211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.087015757721871, var=17.691032253648252, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_4R->C_2R!H->C_N-1R!H->N',), comment="""BM rule fitted to 4 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N + Total Standard Deviation in ln(k): 13.67581601781805"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R_Ext-4CNOS-R -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N +Total Standard Deviation in ln(k): 13.67581601781805""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_Ext-4CNOS-R_Ext-4CNOS-R -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 4 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N +Total Standard Deviation in ln(k): 13.67581601781805 """, ) entry( index = 175, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C", - kinetics = ArrheniusBM(A=(3.40826e+06,'m^3/(mol*s)'), n=-1.95659e-07, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=0.9609060278364027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C - Total Standard Deviation in ln(k): 1.9651578851126479"""), + label = "Root_4R->C_2R!H->C_N-1R!H->N_1CO->C", + kinetics = ArrheniusBM(A=(8.17922e+07,'m^3/(mol*s)'), n=-0.339002, w0=(539,'kJ/mol'), E0=(78.2973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.4653392506655262e-09, var=14.71777592319898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_2R!H->C_N-1R!H->N_1CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C + Total Standard Deviation in ln(k): 7.690916265762756"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C -Total Standard Deviation in ln(k): 1.9651578851126479""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C +Total Standard Deviation in ln(k): 7.690916265762756""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C -Total Standard Deviation in ln(k): 1.9651578851126479 +BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C +Total Standard Deviation in ln(k): 7.690916265762756 """, ) entry( index = 176, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C", - kinetics = ArrheniusBM(A=(1.20333e+07,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C + label = "Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_4C-u1", + kinetics = ArrheniusBM(A=(2.19e+08,'m^3/(mol*s)'), n=-0.68, w0=(539,'kJ/mol'), E0=(68.0791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_4C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_4C-u1 Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_4C-u1 Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_N-Sp-5R!H-4C +BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_4C-u1 Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 177, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0", - kinetics = ArrheniusBM(A=(2.78282e+08,'m^3/(mol*s)'), n=-0.359057, w0=(679500,'J/mol'), E0=(75512.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.12167865343175763, var=0.6437215165799257, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0 - Total Standard Deviation in ln(k): 1.914169472146607"""), + label = "Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_N-4C-u1", + kinetics = ArrheniusBM(A=(3.01e+07,'m^3/(mol*s)'), n=-2.23133e-08, w0=(539,'kJ/mol'), E0=(73.0412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_N-4C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_N-4C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0 -Total Standard Deviation in ln(k): 1.914169472146607""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_N-4C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0 -Total Standard Deviation in ln(k): 1.914169472146607 +BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_1CO->C_N-4C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 178, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0", - kinetics = ArrheniusBM(A=(5.7209e+06,'m^3/(mol*s)'), n=0, w0=(679500,'J/mol'), E0=(20296,'J/mol'), Tmin=(298,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C", + kinetics = ArrheniusBM(A=(6.61175e+07,'m^3/(mol*s)'), n=-1.11192e-06, w0=(655.5,'kJ/mol'), E0=(8.23143e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.7507532943869846, var=36.13951493134382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C + Total Standard Deviation in ln(k): 21.475698718372133"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C +Total Standard Deviation in ln(k): 21.475698718372133""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_N-5R!H-u0 -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C +Total Standard Deviation in ln(k): 21.475698718372133 """, ) entry( index = 179, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_5R!H->N", - kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(598500,'J/mol'), E0=(24711.5,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_5R!H->N + label = "Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_4C-u1", + kinetics = ArrheniusBM(A=(8.49e+07,'m^3/(mol*s)'), n=-4.92282e-10, w0=(655.5,'kJ/mol'), E0=(74.5564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_4C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_4C-u1 Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_5R!H->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_4C-u1 Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_5R!H->N +BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_4C-u1 Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 180, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N", - kinetics = ArrheniusBM(A=(39.3893,'m^3/(mol*s)'), n=1.71766, w0=(598500,'J/mol'), E0=(7731.75,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.8611054555760191, var=1.2141850405896415, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N - Total Standard Deviation in ln(k): 4.372600429820919"""), + label = "Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_N-4C-u1", + kinetics = ArrheniusBM(A=(1.21e+06,'m^3/(mol*s)'), n=-2.2712e-10, w0=(655.5,'kJ/mol'), E0=(79.5863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_N-4C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_N-4C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N -Total Standard Deviation in ln(k): 4.372600429820919""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_N-4C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N -Total Standard Deviation in ln(k): 4.372600429820919 +BM rule fitted to 1 training reactions at node Root_4R->C_2R!H->C_N-1R!H->N_N-1CO->C_N-4C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 181, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N", - kinetics = ArrheniusBM(A=(55.3682,'m^3/(mol*s)'), n=1.72068, w0=(548000,'J/mol'), E0=(41967.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.0426036023134155, var=0.11276809873671895, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N - Total Standard Deviation in ln(k): 3.2928163591177713"""), + label = "Root_4R->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(20.1675,'m^3/(mol*s)'), n=1.53791, w0=(563.929,'kJ/mol'), E0=(73.4678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06993186214913955, var=1.1973337792402379, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_4R->C_N-2R!H->C + Total Standard Deviation in ln(k): 2.369344409307102"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N -Total Standard Deviation in ln(k): 3.2928163591177713""", + shortDesc = """BM rule fitted to 7 training reactions at node Root_4R->C_N-2R!H->C +Total Standard Deviation in ln(k): 2.369344409307102""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N -Total Standard Deviation in ln(k): 3.2928163591177713 +BM rule fitted to 7 training reactions at node Root_4R->C_N-2R!H->C +Total Standard Deviation in ln(k): 2.369344409307102 """, ) entry( index = 182, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N", - kinetics = ArrheniusBM(A=(0.029,'m^3/(mol*s)'), n=2.69, w0=(625500,'J/mol'), E0=(26705.8,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_N-2R!H->C_1R!H->C", + kinetics = ArrheniusBM(A=(112.108,'m^3/(mol*s)'), n=1.32982, w0=(553.333,'kJ/mol'), E0=(42.7797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27273642329866477, var=1.5643108035379913, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_1R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C + Total Standard Deviation in ln(k): 3.192637894050504"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C +Total Standard Deviation in ln(k): 3.192637894050504""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_N-2R!H->N -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 3 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C +Total Standard Deviation in ln(k): 3.192637894050504 """, ) entry( index = 183, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C", - kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.69, w0=(571000,'J/mol'), E0=(57100,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C + label = "Root_4R->C_N-2R!H->C_1R!H->C_Sp-2NO-1C", + kinetics = ArrheniusBM(A=(184.321,'m^3/(mol*s)'), n=1.32982, w0=(566,'kJ/mol'), E0=(73.1071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_1R!H->C_Sp-2NO-1C',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_Sp-2NO-1C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_Sp-2NO-1C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C +BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_Sp-2NO-1C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 184, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C", - kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.69, w0=(684500,'J/mol'), E0=(68450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C", + kinetics = ArrheniusBM(A=(87.4311,'m^3/(mol*s)'), n=1.32982, w0=(547,'kJ/mol'), E0=(39.8701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6167792362419238, var=3.6379267427559188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C + Total Standard Deviation in ln(k): 5.373397921060745"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C +Total Standard Deviation in ln(k): 5.373397921060745""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C +Total Standard Deviation in ln(k): 5.373397921060745 """, ) entry( index = 185, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C", - kinetics = ArrheniusBM(A=(2.6e+09,'m^3/(mol*s)'), n=-1.26, w0=(551500,'J/mol'), E0=(34913.7,'J/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C + label = "Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C_Ext-2NO-R", + kinetics = ArrheniusBM(A=(122.881,'m^3/(mol*s)'), n=1.32982, w0=(547,'kJ/mol'), E0=(47.1255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C_Ext-2NO-R',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C_Ext-2NO-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C_Ext-2NO-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_1CNS->C +BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_1R!H->C_N-Sp-2NO-1C_Ext-2NO-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 186, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C", - kinetics = ArrheniusBM(A=(1.2e+06,'m^3/(mol*s)'), n=-0.34, w0=(684500,'J/mol'), E0=(61174.3,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_N-2R!H->C_N-1R!H->C", + kinetics = ArrheniusBM(A=(1.0881,'m^3/(mol*s)'), n=1.89718, w0=(571.875,'kJ/mol'), E0=(74.4635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24644740285143793, var=0.8652544741729773, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_N-1R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C + Total Standard Deviation in ln(k): 2.484000220291284"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C +Total Standard Deviation in ln(k): 2.484000220291284""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_N-5R!H-u0_N-Sp-2R!H-1CNS_N-1CNS->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 4 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C +Total Standard Deviation in ln(k): 2.484000220291284 """, ) entry( index = 187, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1", - kinetics = ArrheniusBM(A=(1.2,'m^3/(mol*s)'), n=2, w0=(548000,'J/mol'), E0=(54800,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1", + kinetics = ArrheniusBM(A=(0.000279549,'m^3/(mol*s)'), n=2.9189, w0=(587.833,'kJ/mol'), E0=(51.918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1044080256279222, var=0.5013076669601615, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1',), comment="""BM rule fitted to 3 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1 + Total Standard Deviation in ln(k): 1.6817459786508275"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1 +Total Standard Deviation in ln(k): 1.6817459786508275""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_2N-u1 -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 3 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1 +Total Standard Deviation in ln(k): 1.6817459786508275 """, ) entry( index = 188, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_N-2N-u1", - kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=2, w0=(548000,'J/mol'), E0=(54800,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_N-2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_N-2N-u1 + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_1NO->O", + kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(638,'kJ/mol'), E0=(75.3791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_1NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_1NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_N-2N-u1 + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_1NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_2R!H->N_N-2N-u1 +BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_1NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 189, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_2CO->C", - kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=2, w0=(577500,'J/mol'), E0=(57750,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_2CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_2CO->C - Total Standard Deviation in ln(k): 11.540182761524994"""), + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O", + kinetics = ArrheniusBM(A=(9.98847e-05,'m^3/(mol*s)'), n=3.03309, w0=(562.75,'kJ/mol'), E0=(42.462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07634539848181539, var=1.6540389984846129, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O',), comment="""BM rule fitted to 2 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O + Total Standard Deviation in ln(k): 2.7701013160162598"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_2CO->C -Total Standard Deviation in ln(k): 11.540182761524994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O +Total Standard Deviation in ln(k): 2.7701013160162598""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_2CO->C -Total Standard Deviation in ln(k): 11.540182761524994 +BM rule fitted to 2 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O +Total Standard Deviation in ln(k): 2.7701013160162598 """, ) entry( index = 190, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C", - kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=2, w0=(625500,'J/mol'), E0=(55947.8,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_2NO->O", + kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(601.5,'kJ/mol'), E0=(73.041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->N_N-2CO->C +BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 191, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O", - kinetics = ArrheniusBM(A=(334.46,'m^3/(mol*s)'), n=1.27744, w0=(593500,'J/mol'), E0=(32251.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.2786278929612721, var=0.671686074395935, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O - Total Standard Deviation in ln(k): 2.3430799122511208"""), + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_N-2NO->O", + kinetics = ArrheniusBM(A=(0.82,'m^3/(mol*s)'), n=1.87, w0=(524,'kJ/mol'), E0=(76.3032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_N-2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_N-2NO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O -Total Standard Deviation in ln(k): 2.3430799122511208""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_N-2NO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_2NO-u1_N-1NO->O_N-2NO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 192, + label = "Root_4R->C_N-2R!H->C_N-1R!H->C_N-2NO-u1", + kinetics = ArrheniusBM(A=(0.962303,'m^3/(mol*s)'), n=1.93326, w0=(524,'kJ/mol'), E0=(81.9813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_4R->C_N-2R!H->C_N-1R!H->C_N-2NO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_N-2NO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_N-2NO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_4R->C_N-2R!H->C_N-1R!H->C_N-2NO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 193, + label = "Root_N-4R->C", + kinetics = ArrheniusBM(A=(778.48,'m^3/(mol*s)'), n=1.29521, w0=(577.391,'kJ/mol'), E0=(50.4403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.047862890143580535, var=1.159083637992692, Tref=1000.0, N=110, data_mean=0.0, correlation='Root_N-4R->C',), comment="""BM rule fitted to 110 training reactions at node Root_N-4R->C + Total Standard Deviation in ln(k): 2.278571271621093"""), + rank = 11, + shortDesc = """BM rule fitted to 110 training reactions at node Root_N-4R->C +Total Standard Deviation in ln(k): 2.278571271621093""", + longDesc = +""" +BM rule fitted to 110 training reactions at node Root_N-4R->C +Total Standard Deviation in ln(k): 2.278571271621093 +""", +) + +entry( + index = 194, + label = "Root_N-4R->C_4BrClFHNOS->N", + kinetics = ArrheniusBM(A=(136.757,'m^3/(mol*s)'), n=1.34862, w0=(569.125,'kJ/mol'), E0=(45.1193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08800991870086565, var=0.3423856254750912, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->C_4BrClFHNOS->N + Total Standard Deviation in ln(k): 1.394175660510808"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->C_4BrClFHNOS->N +Total Standard Deviation in ln(k): 1.394175660510808""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-4R->C_4BrClFHNOS->N +Total Standard Deviation in ln(k): 1.394175660510808 +""", +) + +entry( + index = 195, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1", + kinetics = ArrheniusBM(A=(124.61,'m^3/(mol*s)'), n=1.35269, w0=(577.357,'kJ/mol'), E0=(43.7201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.055263163933237616, var=0.37095305930661016, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1',), comment="""BM rule fitted to 7 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1 + Total Standard Deviation in ln(k): 1.3598544311803422"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1 +Total Standard Deviation in ln(k): 1.3598544311803422""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1 +Total Standard Deviation in ln(k): 1.3598544311803422 +""", +) + +entry( + index = 196, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(161.65,'m^3/(mol*s)'), n=1.38035, w0=(534.5,'kJ/mol'), E0=(49.4466,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 197, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(141.823,'m^3/(mol*s)'), n=1.33331, w0=(581.125,'kJ/mol'), E0=(43.595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11912727995058463, var=0.9746780790729097, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 2.2785052330145694"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 2.2785052330145694""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 2.2785052330145694 +""", +) + +entry( + index = 198, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N", + kinetics = ArrheniusBM(A=(81.7183,'m^3/(mol*s)'), n=1.38035, w0=(550.25,'kJ/mol'), E0=(32.2847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04484721154263356, var=4.276015599405756, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N + Total Standard Deviation in ln(k): 4.258178671495467"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N +Total Standard Deviation in ln(k): 4.258178671495467""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N +Total Standard Deviation in ln(k): 4.258178671495467 +""", +) + +entry( + index = 199, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_2R!H->O", + kinetics = ArrheniusBM(A=(161.65,'m^3/(mol*s)'), n=1.38035, w0=(589,'kJ/mol'), E0=(43.0021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 200, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_N-2R!H->O", + kinetics = ArrheniusBM(A=(41.3107,'m^3/(mol*s)'), n=1.38035, w0=(511.5,'kJ/mol'), E0=(54.2096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_N-2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_N-2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_N-2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_1R!H->N_N-2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 201, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N", + kinetics = ArrheniusBM(A=(1271.49,'m^3/(mol*s)'), n=1.08195, w0=(612,'kJ/mol'), E0=(51.7396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2073146576044246, var=0.33755186616424865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N + Total Standard Deviation in ln(k): 1.685626421260492"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N +Total Standard Deviation in ln(k): 1.685626421260492""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N +Total Standard Deviation in ln(k): 1.685626421260492 +""", +) + +entry( + index = 202, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_2R!H->O", + kinetics = ArrheniusBM(A=(82.6213,'m^3/(mol*s)'), n=1.38035, w0=(598.5,'kJ/mol'), E0=(32.3727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 203, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_N-2R!H->O", + kinetics = ArrheniusBM(A=(161.65,'m^3/(mol*s)'), n=1.38035, w0=(625.5,'kJ/mol'), E0=(50.4947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_N-2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_N-2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_N-2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_Sp-2R!H-1R!H_N-1R!H->N_N-2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 204, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H", + kinetics = ArrheniusBM(A=(82.6213,'m^3/(mol*s)'), n=1.38035, w0=(591.25,'kJ/mol'), E0=(84.1271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7010492983984208, var=1.1372715824764088, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H + Total Standard Deviation in ln(k): 3.8993387459907876"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 3.8993387459907876""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H +Total Standard Deviation in ln(k): 3.8993387459907876 +""", +) + +entry( + index = 205, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_1R!H->C", + kinetics = ArrheniusBM(A=(82.6213,'m^3/(mol*s)'), n=1.38035, w0=(534.5,'kJ/mol'), E0=(80.0046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 206, + label = "Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_N-1R!H->C", + kinetics = ArrheniusBM(A=(82.6213,'m^3/(mol*s)'), n=1.38035, w0=(648,'kJ/mol'), E0=(115.53,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_2R!H-u1_N-Sp-2R!H-1R!H_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 207, + label = "Root_N-4R->C_4BrClFHNOS->N_N-2R!H-u1", + kinetics = ArrheniusBM(A=(161.65,'m^3/(mol*s)'), n=1.38035, w0=(511.5,'kJ/mol'), E0=(83.4051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_4BrClFHNOS->N_N-2R!H-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_N-2R!H-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_N-2R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_4BrClFHNOS->N_N-2R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 208, + label = "Root_N-4R->C_N-4BrClFHNOS->N", + kinetics = ArrheniusBM(A=(1088.93,'m^3/(mol*s)'), n=1.29773, w0=(578.039,'kJ/mol'), E0=(43.7525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.039685913389855436, var=0.6716253375146022, Tref=1000.0, N=102, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N',), comment="""BM rule fitted to 102 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N + Total Standard Deviation in ln(k): 1.7426488938043392"""), + rank = 11, + shortDesc = """BM rule fitted to 102 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N +Total Standard Deviation in ln(k): 1.7426488938043392""", + longDesc = +""" +BM rule fitted to 102 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N +Total Standard Deviation in ln(k): 1.7426488938043392 +""", +) + +entry( + index = 209, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O", + kinetics = ArrheniusBM(A=(369.642,'m^3/(mol*s)'), n=1.46442, w0=(674.25,'kJ/mol'), E0=(33.0806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27022583670358724, var=1.7883781224145792, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O + Total Standard Deviation in ln(k): 3.3598967289041113"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O +Total Standard Deviation in ln(k): 3.3598967289041113""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O +Total Standard Deviation in ln(k): 3.3598967289041113 +""", +) + +entry( + index = 210, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_4BrClFHO->Cl", + kinetics = ArrheniusBM(A=(4e+08,'m^3/(mol*s)'), n=8.04636e-09, w0=(664,'kJ/mol'), E0=(72.8134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_4BrClFHO->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_4BrClFHO->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_4BrClFHO->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_4BrClFHO->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 211, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl", + kinetics = ArrheniusBM(A=(367.482,'m^3/(mol*s)'), n=1.46504, w0=(675.714,'kJ/mol'), E0=(26.9824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24920567325644633, var=1.6878531172378077, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl',), comment="""BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl + Total Standard Deviation in ln(k): 3.230644624092469"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl +Total Standard Deviation in ln(k): 3.230644624092469""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl +Total Standard Deviation in ln(k): 3.230644624092469 +""", +) + +entry( + index = 212, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C", + kinetics = ArrheniusBM(A=(7.34947e+07,'m^3/(mol*s)'), n=-3.29864e-08, w0=(689.375,'kJ/mol'), E0=(56.2092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0757018353593837, var=3.35039055635274, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C + Total Standard Deviation in ln(k): 6.372249971411763"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C +Total Standard Deviation in ln(k): 6.372249971411763""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C +Total Standard Deviation in ln(k): 6.372249971411763 +""", +) + +entry( + index = 213, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1", + kinetics = ArrheniusBM(A=(5.06938e+07,'m^3/(mol*s)'), n=-0.091178, w0=(692.667,'kJ/mol'), E0=(85.211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09261469988876483, var=0.07745015669486155, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1 + Total Standard Deviation in ln(k): 0.7906153818261958"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1 +Total Standard Deviation in ln(k): 0.7906153818261958""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1 +Total Standard Deviation in ln(k): 0.7906153818261958 +""", +) + +entry( + index = 214, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_4BrFHO->F", + kinetics = ArrheniusBM(A=(3e+07,'m^3/(mol*s)'), n=1.14338e-08, w0=(732.5,'kJ/mol'), E0=(103.671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_4BrFHO->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_4BrFHO->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_4BrFHO->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_4BrFHO->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 215, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F", + kinetics = ArrheniusBM(A=(4.36325e+07,'m^3/(mol*s)'), n=-0.0854631, w0=(672.75,'kJ/mol'), E0=(81.6531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1613544019821038, var=0.0012625479799301582, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F + Total Standard Deviation in ln(k): 0.4766460210869688"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F +Total Standard Deviation in ln(k): 0.4766460210869688""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F +Total Standard Deviation in ln(k): 0.4766460210869688 +""", +) + +entry( + index = 216, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_4HO->O", + kinetics = ArrheniusBM(A=(2.41e+07,'m^3/(mol*s)'), n=3.4192e-08, w0=(679.5,'kJ/mol'), E0=(87.3823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_4HO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_4HO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_4HO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_4HO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 217, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_N-4HO->O", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=7.60838e-09, w0=(666,'kJ/mol'), E0=(73.8058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_N-4HO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_N-4HO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_N-4HO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_4BrFHO-u1_N-4BrFHO->F_N-4HO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 218, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_N-4BrFHO-u1", + kinetics = ArrheniusBM(A=(9.04e+07,'m^3/(mol*s)'), n=-1.08754e-08, w0=(679.5,'kJ/mol'), E0=(72.5741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_N-4BrFHO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_N-4BrFHO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_N-4BrFHO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_2R!H->C_N-4BrFHO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 219, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C", + kinetics = ArrheniusBM(A=(332.977,'m^3/(mol*s)'), n=1.47687, w0=(657.5,'kJ/mol'), E0=(41.0926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017984133491701006, var=0.8031311680399617, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C + Total Standard Deviation in ln(k): 1.8417814426288217"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C +Total Standard Deviation in ln(k): 1.8417814426288217""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C +Total Standard Deviation in ln(k): 1.8417814426288217 +""", +) + +entry( + index = 220, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O", + kinetics = ArrheniusBM(A=(583.069,'m^3/(mol*s)'), n=1.37285, w0=(662,'kJ/mol'), E0=(21.146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15008766068901996, var=2.970766180295433, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O + Total Standard Deviation in ln(k): 3.832448154368889"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O +Total Standard Deviation in ln(k): 3.832448154368889""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O +Total Standard Deviation in ln(k): 3.832448154368889 +""", +) + +entry( + index = 221, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_4O-u1", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(662,'kJ/mol'), E0=(62.1513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_4O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_4O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_4O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_4O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 222, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_N-4O-u1", + kinetics = ArrheniusBM(A=(1348.91,'m^3/(mol*s)'), n=1.32481, w0=(662,'kJ/mol'), E0=(48.934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_N-4O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_N-4O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_N-4O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_4BrFHO->O_N-4O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 223, + label = "Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_N-4BrFHO->O", + kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(648.5,'kJ/mol'), E0=(58.0465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_N-4BrFHO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_N-4BrFHO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_N-4BrFHO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_1R!H->O_N-4BrClFHO->Cl_N-2R!H->C_N-4BrFHO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 224, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O", + kinetics = ArrheniusBM(A=(1306.3,'m^3/(mol*s)'), n=1.27134, w0=(569.851,'kJ/mol'), E0=(47.4861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03612290327038427, var=0.7216043241553365, Tref=1000.0, N=94, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O',), comment="""BM rule fitted to 94 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O + Total Standard Deviation in ln(k): 1.7937293206763996"""), + rank = 11, + shortDesc = """BM rule fitted to 94 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O +Total Standard Deviation in ln(k): 1.7937293206763996""", + longDesc = +""" +BM rule fitted to 94 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O +Total Standard Deviation in ln(k): 1.7937293206763996 +""", +) + +entry( + index = 225, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl", + kinetics = ArrheniusBM(A=(3.33953e+09,'m^3/(mol*s)'), n=-0.656021, w0=(551.367,'kJ/mol'), E0=(85.8741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12829630917955775, var=1.5972657667064218, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl',), comment="""BM rule fitted to 15 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl + Total Standard Deviation in ln(k): 2.855996470190777"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl +Total Standard Deviation in ln(k): 2.855996470190777""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl +Total Standard Deviation in ln(k): 2.855996470190777 +""", +) + +entry( + index = 226, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.12269e+07,'m^3/(mol*s)'), n=-0.0292851, w0=(545.2,'kJ/mol'), E0=(62.8135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.061250275675480415, var=1.1618367304909276, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.3147696451280253"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3147696451280253""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.3147696451280253 +""", +) + +entry( + index = 227, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_5R!H->O", + kinetics = ArrheniusBM(A=(3.66667e+07,'m^3/(mol*s)'), n=-1.86025e-09, w0=(547.5,'kJ/mol'), E0=(59.8102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 228, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(7.3276e+08,'m^3/(mol*s)'), n=-0.568755, w0=(544.944,'kJ/mol'), E0=(77.4793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11555422701164063, var=0.9541728384093751, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O + Total Standard Deviation in ln(k): 2.248597981090442"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O +Total Standard Deviation in ln(k): 2.248597981090442""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O +Total Standard Deviation in ln(k): 2.248597981090442 +""", +) + +entry( + index = 229, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.10064e+07,'m^3/(mol*s)'), n=1.00526e-07, w0=(547.5,'kJ/mol'), E0=(50.54,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2059859864551167e-08, var=0.6944264694749787, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6705909736252742"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6705909736252742""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6705909736252742 +""", +) + +entry( + index = 230, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1.41421e+07,'m^3/(mol*s)'), n=-9.89949e-08, w0=(547.5,'kJ/mol'), E0=(45.6403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.263211790127127e-10, var=0.960906009528041, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R + Total Standard Deviation in ln(k): 1.965157868467531"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R +Total Standard Deviation in ln(k): 1.965157868467531""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R +Total Standard Deviation in ln(k): 1.965157868467531 +""", +) + +entry( + index = 231, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R_Ext-1CN-R", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=2.61403e-08, w0=(547.5,'kJ/mol'), E0=(59.4248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R_Ext-1CN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Ext-2R!H-R_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 232, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(7.53121e+06,'m^3/(mol*s)'), n=0.00112828, w0=(547.5,'kJ/mol'), E0=(67.1967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0018949510213299918, var=1.434965409410206, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 2.4062341689580746"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 2.4062341689580746""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 2.4062341689580746 +""", +) + +entry( + index = 233, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1.41422e+07,'m^3/(mol*s)'), n=-2.17951e-07, w0=(547.5,'kJ/mol'), E0=(49.238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.4047458309616576e-10, var=0.9609060180753904, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R + Total Standard Deviation in ln(k): 1.9651578757356867"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R +Total Standard Deviation in ln(k): 1.9651578757356867""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R +Total Standard Deviation in ln(k): 1.9651578757356867 +""", +) + +entry( + index = 234, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R_Ext-1CN-R", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=1.5748e-08, w0=(547.5,'kJ/mol'), E0=(63.1404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R_Ext-1CN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_Sp-2R!H-1CN_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 235, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(3.9176e+12,'m^3/(mol*s)'), n=-1.70261, w0=(536,'kJ/mol'), E0=(90.6112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04674064237088943, var=4.884045523601987, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN + Total Standard Deviation in ln(k): 4.547878612585423"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 4.547878612585423""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 4.547878612585423 +""", +) + +entry( + index = 236, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN_Ext-1CN-R", + kinetics = ArrheniusBM(A=(2e+06,'m^3/(mol*s)'), n=5.43144e-09, w0=(536,'kJ/mol'), E0=(52.7984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN_Ext-1CN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-2R!H-R_N-5R!H->O_N-Sp-2R!H-1CN_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 237, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R", + kinetics = ArrheniusBM(A=(2.15443e+07,'m^3/(mol*s)'), n=3.11314e-07, w0=(543.667,'kJ/mol'), E0=(-2.48854e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03213819095416457, var=4.2015243673812535, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R + Total Standard Deviation in ln(k): 4.18997905936483"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R +Total Standard Deviation in ln(k): 4.18997905936483""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R +Total Standard Deviation in ln(k): 4.18997905936483 +""", +) + +entry( + index = 238, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=1.59453e-09, w0=(547.5,'kJ/mol'), E0=(67.3436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.195859365858086e-10, var=5.332371188787123e-18, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 6.1860683047245515e-09"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 6.1860683047245515e-09""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 6.1860683047245515e-09 +""", +) + +entry( + index = 239, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=-1.25732e-08, w0=(547.5,'kJ/mol'), E0=(67.4112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN_Ext-1CN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_Sp-2R!H-1CN_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 240, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=2.99823e-08, w0=(536,'kJ/mol'), E0=(61.626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_N-Sp-2R!H-1CN + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_Ext-1CN-R_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 241, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_2R!H->C", + kinetics = ArrheniusBM(A=(6e+07,'m^3/(mol*s)'), n=1.25176e-08, w0=(547.5,'kJ/mol'), E0=(66.3696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 242, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_N-2R!H->C", + kinetics = ArrheniusBM(A=(1.33333e+08,'m^3/(mol*s)'), n=-1.78203e-08, w0=(640,'kJ/mol'), E0=(80.5154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_4BrClFHO->Cl_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 243, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl", + kinetics = ArrheniusBM(A=(1297.12,'m^3/(mol*s)'), n=1.2723, w0=(573.361,'kJ/mol'), E0=(47.4912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03656474406255658, var=0.7199869424714758, Tref=1000.0, N=79, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl',), comment="""BM rule fitted to 79 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl + Total Standard Deviation in ln(k): 1.7929299125394802"""), + rank = 11, + shortDesc = """BM rule fitted to 79 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl +Total Standard Deviation in ln(k): 1.7929299125394802""", + longDesc = +""" +BM rule fitted to 79 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl +Total Standard Deviation in ln(k): 1.7929299125394802 +""", +) + +entry( + index = 244, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1", + kinetics = ArrheniusBM(A=(740.831,'m^3/(mol*s)'), n=1.33202, w0=(572.735,'kJ/mol'), E0=(39.9652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03902041912896311, var=0.9139756585933148, Tref=1000.0, N=66, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1',), comment="""BM rule fitted to 66 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1 + Total Standard Deviation in ln(k): 2.014609569729501"""), + rank = 11, + shortDesc = """BM rule fitted to 66 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1 +Total Standard Deviation in ln(k): 2.014609569729501""", + longDesc = +""" +BM rule fitted to 66 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1 +Total Standard Deviation in ln(k): 2.014609569729501 +""", +) + +entry( + index = 245, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F", + kinetics = ArrheniusBM(A=(2.61215e+07,'m^3/(mol*s)'), n=-0.0690593, w0=(619.889,'kJ/mol'), E0=(98.9457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012965273460728666, var=0.42003872809845844, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F',), comment="""BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F + Total Standard Deviation in ln(k): 1.3318527833847555"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F +Total Standard Deviation in ln(k): 1.3318527833847555""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F +Total Standard Deviation in ln(k): 1.3318527833847555 +""", +) + +entry( + index = 246, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R", + kinetics = ArrheniusBM(A=(2.8736e+10,'m^3/(mol*s)'), n=-0.962138, w0=(608.333,'kJ/mol'), E0=(117.542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17517973290637548, var=0.4902836635172774, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R + Total Standard Deviation in ln(k): 1.8438707710877658"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R +Total Standard Deviation in ln(k): 1.8438707710877658""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R +Total Standard Deviation in ln(k): 1.8438707710877658 +""", +) + +entry( + index = 247, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_Ext-1CN-R", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=-9.58632e-09, w0=(616,'kJ/mol'), E0=(95.6409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_Ext-1CN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 248, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_5R!H->C", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=2.33666e-09, w0=(604.5,'kJ/mol'), E0=(94.9071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 249, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=2.44196e-08, w0=(604.5,'kJ/mol'), E0=(97.9554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-1CN-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 250, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.15501e+07,'m^3/(mol*s)'), n=3.63056e-05, w0=(612.167,'kJ/mol'), E0=(98.9457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05686866589502796, var=1.699074053183515, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7560288957820798"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7560288957820798""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7560288957820798 +""", +) + +entry( + index = 251, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(1.43995e+07,'m^3/(mol*s)'), n=0.00242563, w0=(616,'kJ/mol'), E0=(99.9225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0763871233181978e-09, var=0.9609060372880484, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 1.9651578974819623"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.9651578974819623""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.9651578974819623 +""", +) + +entry( + index = 252, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=-1.88843e-08, w0=(616,'kJ/mol'), E0=(92.5051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 253, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(5e+07,'m^3/(mol*s)'), n=-5.03277e-09, w0=(604.5,'kJ/mol'), E0=(91.5406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 254, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_2R!H->C", + kinetics = ArrheniusBM(A=(1.41421e+07,'m^3/(mol*s)'), n=2.01847e-08, w0=(604.5,'kJ/mol'), E0=(96.8315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.7214830848666713e-10, var=0.9609060321609082, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_2R!H->C + Total Standard Deviation in ln(k): 1.9651578902184808"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_2R!H->C +Total Standard Deviation in ln(k): 1.9651578902184808""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_2R!H->C +Total Standard Deviation in ln(k): 1.9651578902184808 +""", +) + +entry( + index = 255, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_N-2R!H->C", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=-1.29534e-08, w0=(708.5,'kJ/mol'), E0=(111.031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_4BrFHO->F_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 256, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F", + kinetics = ArrheniusBM(A=(736.578,'m^3/(mol*s)'), n=1.3328, w0=(565.289,'kJ/mol'), E0=(38.8895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03902956088316832, var=0.9141314583311871, Tref=1000.0, N=57, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F',), comment="""BM rule fitted to 57 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F + Total Standard Deviation in ln(k): 2.0147958847320973"""), + rank = 11, + shortDesc = """BM rule fitted to 57 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F +Total Standard Deviation in ln(k): 2.0147958847320973""", + longDesc = +""" +BM rule fitted to 57 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F +Total Standard Deviation in ln(k): 2.0147958847320973 +""", +) + +entry( + index = 257, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(41.0823,'m^3/(mol*s)'), n=1.7247, w0=(556.26,'kJ/mol'), E0=(-4.16075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09111888447019038, var=6.178822189954367, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R',), comment="""BM rule fitted to 25 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R + Total Standard Deviation in ln(k): 5.212159365365344"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 5.212159365365344""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 5.212159365365344 +""", +) + +entry( + index = 258, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(123459,'m^3/(mol*s)'), n=0.637833, w0=(561.071,'kJ/mol'), E0=(89.3849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04646443070779681, var=0.35179651879216745, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN',), comment="""BM rule fitted to 14 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 1.3058020314218621"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.3058020314218621""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.3058020314218621 +""", +) + +entry( + index = 259, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O", + kinetics = ArrheniusBM(A=(1.17786e+06,'m^3/(mol*s)'), n=0.389032, w0=(563,'kJ/mol'), E0=(100.702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019798037294047843, var=0.24093979244798794, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O',), comment="""BM rule fitted to 12 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O + Total Standard Deviation in ln(k): 1.033780420432282"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O +Total Standard Deviation in ln(k): 1.033780420432282""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O +Total Standard Deviation in ln(k): 1.033780420432282 +""", +) + +entry( + index = 260, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1.0962e+06,'m^3/(mol*s)'), n=0.397836, w0=(563,'kJ/mol'), E0=(100.359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02939409830442325, var=0.1724814742321302, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R + Total Standard Deviation in ln(k): 0.9064388183768929"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R +Total Standard Deviation in ln(k): 0.9064388183768929""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R +Total Standard Deviation in ln(k): 0.9064388183768929 +""", +) + +entry( + index = 261, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1132.27,'m^3/(mol*s)'), n=1.22871, w0=(563,'kJ/mol'), E0=(79.5982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1058048320576809, var=0.12388348619976208, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R + Total Standard Deviation in ln(k): 0.971449615585132"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 0.971449615585132""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R +Total Standard Deviation in ln(k): 0.971449615585132 +""", +) + +entry( + index = 262, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.2e+07,'m^3/(mol*s)'), n=4.7343e-08, w0=(563,'kJ/mol'), E0=(99.9111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-1CN-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 263, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.11132e+07,'m^3/(mol*s)'), n=-1.83751e-06, w0=(563,'kJ/mol'), E0=(107.375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03382356032751249, var=0.9609060273442741, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0501417045277925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0501417045277925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_Ext-1CN-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0501417045277925 +""", +) + +entry( + index = 264, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F", + kinetics = ArrheniusBM(A=(3.22232e+06,'m^3/(mol*s)'), n=0.307376, w0=(563,'kJ/mol'), E0=(108.254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.043731499509550395, var=0.9358344615944323, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F + Total Standard Deviation in ln(k): 2.049229531843901"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F +Total Standard Deviation in ln(k): 2.049229531843901""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F +Total Standard Deviation in ln(k): 2.049229531843901 +""", +) + +entry( + index = 265, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.81028e+07,'m^3/(mol*s)'), n=7.5083e-06, w0=(563,'kJ/mol'), E0=(111.49,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026494324946853585, var=2.413897885754386, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.181270188403005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.181270188403005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_5R!H->F_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.181270188403005 +""", +) + +entry( + index = 266, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_N-5R!H->F", + kinetics = ArrheniusBM(A=(6.66667e+06,'m^3/(mol*s)'), n=-1.17855e-10, w0=(563,'kJ/mol'), E0=(77.6637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_N-5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_N-5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_4BrHO->O_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 267, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O", + kinetics = ArrheniusBM(A=(4.47801e+06,'m^3/(mol*s)'), n=0.000177943, w0=(549.5,'kJ/mol'), E0=(68.1314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.735788089288397e-10, var=5.180580779861975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O + Total Standard Deviation in ln(k): 4.562955301704631"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O +Total Standard Deviation in ln(k): 4.562955301704631""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O +Total Standard Deviation in ln(k): 4.562955301704631 +""", +) + +entry( + index = 268, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2e+06,'m^3/(mol*s)'), n=-4.79388e-09, w0=(549.5,'kJ/mol'), E0=(62.7729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_Sp-2R!H-1CN_N-4BrHO->O_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 269, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(2007.44,'m^3/(mol*s)'), n=1.24159, w0=(550.136,'kJ/mol'), E0=(42.5778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08340636979458585, var=6.418723189434626, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN + Total Standard Deviation in ln(k): 5.28859999784322"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 5.28859999784322""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 5.28859999784322 +""", +) + +entry( + index = 270, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl", + kinetics = ArrheniusBM(A=(3.53553e+06,'m^3/(mol*s)'), n=2.19588e-08, w0=(551.5,'kJ/mol'), E0=(49.3379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.3802249398732633e-10, var=0.9609060280094611, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl + Total Standard Deviation in ln(k): 1.9651578858876562"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl +Total Standard Deviation in ln(k): 1.9651578858876562""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl +Total Standard Deviation in ln(k): 1.9651578858876562 +""", +) + +entry( + index = 271, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl_Ext-1CN-R", + kinetics = ArrheniusBM(A=(5e+06,'m^3/(mol*s)'), n=7.02546e-09, w0=(551.5,'kJ/mol'), E0=(67.4806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl_Ext-1CN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_5R!H->Cl_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 272, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(1988.48,'m^3/(mol*s)'), n=1.24316, w0=(549.833,'kJ/mol'), E0=(42.4132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08266119051449551, var=6.457713872904693, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl',), comment="""BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl + Total Standard Deviation in ln(k): 5.302130694025698"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl +Total Standard Deviation in ln(k): 5.302130694025698""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl +Total Standard Deviation in ln(k): 5.302130694025698 +""", +) + +entry( + index = 273, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O", + kinetics = ArrheniusBM(A=(254.888,'m^3/(mol*s)'), n=1.41958, w0=(555.4,'kJ/mol'), E0=(55.9207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4881063349452077, var=0.9941788183609503, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O + Total Standard Deviation in ln(k): 3.225289423976324"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O +Total Standard Deviation in ln(k): 3.225289423976324""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O +Total Standard Deviation in ln(k): 3.225289423976324 +""", +) + +entry( + index = 274, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=7.95959e-09, w0=(551.5,'kJ/mol'), E0=(62.5769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3268511269322496e-09, var=4.625125576634905e-18, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R + Total Standard Deviation in ln(k): 7.645201133632927e-09"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R +Total Standard Deviation in ln(k): 7.645201133632927e-09""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R +Total Standard Deviation in ln(k): 7.645201133632927e-09 +""", +) + +entry( + index = 275, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_5CFO->C", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=7.14499e-10, w0=(551.5,'kJ/mol'), E0=(64.844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_5CFO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_5CFO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 276, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_N-5CFO->C", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=-1.13706e-08, w0=(551.5,'kJ/mol'), E0=(61.8186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_N-5CFO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_N-5CFO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_N-5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_Ext-1CN-R_N-5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 277, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_2R!H->C", + kinetics = ArrheniusBM(A=(3.53553e+07,'m^3/(mol*s)'), n=4.315e-09, w0=(551.5,'kJ/mol'), E0=(123.494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012004598604129092, var=0.9609060205425632, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_2R!H->C + Total Standard Deviation in ln(k): 1.995320185704874"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_2R!H->C +Total Standard Deviation in ln(k): 1.995320185704874""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_2R!H->C +Total Standard Deviation in ln(k): 1.995320185704874 +""", +) + +entry( + index = 278, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_N-2R!H->C", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(571,'kJ/mol'), E0=(61.1032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_4BrHO->O_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 279, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O", + kinetics = ArrheniusBM(A=(15553.5,'m^3/(mol*s)'), n=1.06652, w0=(542.875,'kJ/mol'), E0=(42.7585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.632432581783514, var=4.3377845375580995, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O + Total Standard Deviation in ln(k): 8.276921051710762"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O +Total Standard Deviation in ln(k): 8.276921051710762""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O +Total Standard Deviation in ln(k): 8.276921051710762 +""", +) + +entry( + index = 280, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1.63457e+06,'m^3/(mol*s)'), n=0.31162, w0=(538,'kJ/mol'), E0=(75.754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0012039250975677035, var=0.14229162808105306, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R + Total Standard Deviation in ln(k): 0.759242333504997"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R +Total Standard Deviation in ln(k): 0.759242333504997""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R +Total Standard Deviation in ln(k): 0.759242333504997 +""", +) + +entry( + index = 281, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_5CFO->C", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=4.29121e-08, w0=(538,'kJ/mol'), E0=(82.1665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_5CFO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_5CFO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 282, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_N-5CFO->C", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=-7.45103e-08, w0=(538,'kJ/mol'), E0=(78.4617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_N-5CFO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_N-5CFO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_N-5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_Ext-1CN-R_N-5CFO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 283, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_2R!H->C", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=8.83049e-09, w0=(538,'kJ/mol'), E0=(61.8294,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 284, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_N-2R!H->C", + kinetics = ArrheniusBM(A=(15593,'m^3/(mol*s)'), n=1.06688, w0=(557.5,'kJ/mol'), E0=(47.1318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-2R!H-R_N-Sp-2R!H-1CN_N-5R!H->Cl_N-4BrHO->O_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 285, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R", + kinetics = ArrheniusBM(A=(3.96811e+14,'m^3/(mol*s)'), n=-2.17491, w0=(558.273,'kJ/mol'), E0=(132.989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.275746692100462, var=0.6119802250926305, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R + Total Standard Deviation in ln(k): 2.261118395455435"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R +Total Standard Deviation in ln(k): 2.261118395455435""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R +Total Standard Deviation in ln(k): 2.261118395455435 +""", +) + +entry( + index = 286, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN", + kinetics = ArrheniusBM(A=(4.58144e+12,'m^3/(mol*s)'), n=-1.61326, w0=(557.8,'kJ/mol'), E0=(124.23,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20314751278159526, var=0.5189302333920458, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN',), comment="""BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN + Total Standard Deviation in ln(k): 1.9545681322546287"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN +Total Standard Deviation in ln(k): 1.9545681322546287""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN +Total Standard Deviation in ln(k): 1.9545681322546287 +""", +) + +entry( + index = 287, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O", + kinetics = ArrheniusBM(A=(7.10293e+08,'m^3/(mol*s)'), n=-0.416318, w0=(561.357,'kJ/mol'), E0=(113.641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0888868182399889, var=0.22593082937040312, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O + Total Standard Deviation in ln(k): 1.1762280330322579"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O +Total Standard Deviation in ln(k): 1.1762280330322579""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O -Total Standard Deviation in ln(k): 2.3430799122511208 +BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O +Total Standard Deviation in ln(k): 1.1762280330322579 """, ) entry( - index = 192, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O", - kinetics = ArrheniusBM(A=(1.47985e+07,'m^3/(mol*s)'), n=-0.311932, w0=(534750,'J/mol'), E0=(37491,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.14761419944759951, var=0.2702865095049491, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O - Total Standard Deviation in ln(k): 1.4131333979764096"""), + index = 288, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(5.92242e+07,'m^3/(mol*s)'), n=-0.0737884, w0=(563,'kJ/mol'), E0=(110.962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04992247684637377, var=0.22704593828074532, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 1.0806763458355644"""), rank = 11, - shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O -Total Standard Deviation in ln(k): 1.4131333979764096""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.0806763458355644""", longDesc = """ -BM rule fitted to 6 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O -Total Standard Deviation in ln(k): 1.4131333979764096 +BM rule fitted to 6 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.0806763458355644 """, ) entry( - index = 193, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C", - kinetics = ArrheniusBM(A=(2.19e+08,'m^3/(mol*s)'), n=-0.68, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C + index = 289, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C", + kinetics = ArrheniusBM(A=(1.70766e+07,'m^3/(mol*s)'), n=8.37992e-08, w0=(563,'kJ/mol'), E0=(62.5849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.982361733112044e-10, var=0.9494595835536717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C + Total Standard Deviation in ln(k): 1.9534182059418268"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C +Total Standard Deviation in ln(k): 1.9534182059418268""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C +Total Standard Deviation in ln(k): 1.9534182059418268 +""", +) + +entry( + index = 290, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=-4.09701e-08, w0=(563,'kJ/mol'), E0=(85.6548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C_Ext-1CN-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C_Ext-1CN-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_2R!H->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_5R!H->C_Ext-1CN-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 194, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_N-2R!H->C", - kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=1.87, w0=(566000,'J/mol'), E0=(56600,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_N-2R!H->C + index = 291, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C", + kinetics = ArrheniusBM(A=(8.38837e+06,'m^3/(mol*s)'), n=0.20989, w0=(563,'kJ/mol'), E0=(113.476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007252354772385198, var=0.19974669739845227, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C + Total Standard Deviation in ln(k): 0.9141988562103135"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C +Total Standard Deviation in ln(k): 0.9141988562103135""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C +Total Standard Deviation in ln(k): 0.9141988562103135 +""", +) + +entry( + index = 292, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C_Ext-1CN-R", + kinetics = ArrheniusBM(A=(4.4e+07,'m^3/(mol*s)'), n=1.75726e-08, w0=(563,'kJ/mol'), E0=(115.111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03619075358142335, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C_Ext-1CN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C_Ext-1CN-R + Total Standard Deviation in ln(k): 0.09093154166186772"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C_Ext-1CN-R +Total Standard Deviation in ln(k): 0.09093154166186772""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_Sp-2R!H-1CN_N-5R!H->C_Ext-1CN-R +Total Standard Deviation in ln(k): 0.09093154166186772 +""", +) + +entry( + index = 293, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(5e+06,'m^3/(mol*s)'), n=-2.43167e-08, w0=(551.5,'kJ/mol'), E0=(76.1,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_N-Sp-2R!H-1CN Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_N-2R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_N-Sp-2R!H-1CN Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_1CNS->C_Sp-2R!H-1C_N-2R!H->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_4BrHO->O_N-Sp-2R!H-1CN Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 195, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_Sp-2C-1N", - kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(553500,'J/mol'), E0=(55350,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_Sp-2C-1N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_Sp-2C-1N + index = 294, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O", + kinetics = ArrheniusBM(A=(1.48466e+06,'m^3/(mol*s)'), n=1.14661e-08, w0=(549.5,'kJ/mol'), E0=(54.1121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2011118793046898e-08, var=0.4209386671949848, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O + Total Standard Deviation in ln(k): 1.3006678896484658"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O +Total Standard Deviation in ln(k): 1.3006678896484658""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O +Total Standard Deviation in ln(k): 1.3006678896484658 +""", +) + +entry( + index = 295, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C", + kinetics = ArrheniusBM(A=(1.27916e+06,'m^3/(mol*s)'), n=-8.25368e-08, w0=(549.5,'kJ/mol'), E0=(55.4715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-8.282333202783488e-10, var=0.9639738046065783, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C + Total Standard Deviation in ln(k): 1.9682923568711375"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C +Total Standard Deviation in ln(k): 1.9682923568711375""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C +Total Standard Deviation in ln(k): 1.9682923568711375 +""", +) + +entry( + index = 296, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C_Ext-1CN-R", + kinetics = ArrheniusBM(A=(904000,'m^3/(mol*s)'), n=8.11702e-09, w0=(549.5,'kJ/mol'), E0=(72.3416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C_Ext-1CN-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_Sp-2C-1N + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C_Ext-1CN-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_Sp-2C-1N +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_5R!H->C_Ext-1CN-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 196, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_N-Sp-2C-1N", - kinetics = ArrheniusBM(A=(0.82,'m^3/(mol*s)'), n=1.87, w0=(534500,'J/mol'), E0=(53450,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_N-Sp-2C-1N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_N-Sp-2C-1N + index = 297, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_N-5R!H->C", + kinetics = ArrheniusBM(A=(2e+06,'m^3/(mol*s)'), n=3.43541e-10, w0=(549.5,'kJ/mol'), E0=(66.0237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_N-5R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_N-Sp-2C-1N + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_N-5R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_2R!H->C_N-Sp-2C-1N +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_Sp-5R!H-1CN_N-4BrHO->O_N-5R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 197, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1", - kinetics = ArrheniusBM(A=(1.9471e-05,'m^3/(mol*s)'), n=3.27783, w0=(562750,'J/mol'), E0=(48062.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.8568478925825855, var=0.083327900484, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1 - Total Standard Deviation in ln(k): 2.73158245570468"""), + index = 298, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_N-Sp-5R!H-1CN", + kinetics = ArrheniusBM(A=(6.03e+06,'m^3/(mol*s)'), n=3.55988e-08, w0=(563,'kJ/mol'), E0=(114.157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_N-Sp-5R!H-1CN',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_N-Sp-5R!H-1CN + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1 -Total Standard Deviation in ln(k): 2.73158245570468""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_N-Sp-5R!H-1CN +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1 -Total Standard Deviation in ln(k): 2.73158245570468 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_Ext-1CN-R_N-Sp-5R!H-1CN +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 198, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_N-2NO-u1", - kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(524000,'J/mol'), E0=(52400,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_N-2NO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_N-2NO-u1 + index = 299, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H", + kinetics = ArrheniusBM(A=(10284.2,'m^3/(mol*s)'), n=1.07894, w0=(578.65,'kJ/mol'), E0=(67.1751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02548761570354585, var=0.30341572836647107, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H',), comment="""BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H + Total Standard Deviation in ln(k): 1.1683111694101072"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H +Total Standard Deviation in ln(k): 1.1683111694101072""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H +Total Standard Deviation in ln(k): 1.1683111694101072 +""", +) + +entry( + index = 300, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(64177.8,'m^3/(mol*s)'), n=0.878992, w0=(573.286,'kJ/mol'), E0=(73.9766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.031756029753733886, var=0.297562729966121, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN',), comment="""BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 1.1733581858950668"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.1733581858950668""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.1733581858950668 +""", +) + +entry( + index = 301, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1", + kinetics = ArrheniusBM(A=(139450,'m^3/(mol*s)'), n=0.77947, w0=(579.75,'kJ/mol'), E0=(75.2812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07938820002259513, var=0.5427877980313873, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1',), comment="""BM rule fitted to 6 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1 + Total Standard Deviation in ln(k): 1.6764390410292163"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1 +Total Standard Deviation in ln(k): 1.6764390410292163""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1 +Total Standard Deviation in ln(k): 1.6764390410292163 +""", +) + +entry( + index = 302, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C", + kinetics = ArrheniusBM(A=(23739.9,'m^3/(mol*s)'), n=1.06417, w0=(589.333,'kJ/mol'), E0=(55.4979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.400717068063205, var=4.767212676184642, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C + Total Standard Deviation in ln(k): 7.8965176805884845"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C +Total Standard Deviation in ln(k): 7.8965176805884845""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C +Total Standard Deviation in ln(k): 7.8965176805884845 +""", +) + +entry( + index = 303, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_2R!H->C", + kinetics = ArrheniusBM(A=(3.61e+06,'m^3/(mol*s)'), n=3.07521e-09, w0=(549.5,'kJ/mol'), E0=(67.353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_N-2NO-u1 + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_N-2NO-u1 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 199, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1", - kinetics = ArrheniusBM(A=(0.46,'m^3/(mol*s)'), n=1.94, w0=(511500,'J/mol'), E0=(51150,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1 + index = 304, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(23588.5,'m^3/(mol*s)'), n=1.06552, w0=(609.25,'kJ/mol'), E0=(57.3707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8765435942543714, var=1.2751169028983975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C + Total Standard Deviation in ln(k): 4.466139226800341"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 4.466139226800341""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 4.466139226800341 +""", +) + +entry( + index = 305, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_2NO->O", + kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=-2.51399e-08, w0=(642,'kJ/mol'), E0=(81.4955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1 + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_2N-u1 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 200, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_N-2N-u1", - kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(511500,'J/mol'), E0=(51150,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_N-2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 + index = 306, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_N-2NO->O", + kinetics = ArrheniusBM(A=(23389.5,'m^3/(mol*s)'), n=1.06688, w0=(576.5,'kJ/mol'), E0=(73.1134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_N-2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_N-4CNS->C_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 201, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N", - kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(548000,'J/mol'), E0=(54800,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N + index = 307, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C", + kinetics = ArrheniusBM(A=(9701.16,'m^3/(mol*s)'), n=1.08962, w0=(570.167,'kJ/mol'), E0=(67.3963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31631361918853174, var=0.7278827298524121, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C + Total Standard Deviation in ln(k): 2.5051184901997794"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C +Total Standard Deviation in ln(k): 2.5051184901997794""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C +Total Standard Deviation in ln(k): 2.5051184901997794 +""", +) + +entry( + index = 308, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_2R!H->C", + kinetics = ArrheniusBM(A=(12994.1,'m^3/(mol*s)'), n=1.06688, w0=(564,'kJ/mol'), E0=(66.4438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 202, - label = "Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N", - kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(625500,'J/mol'), E0=(52128.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N + index = 309, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(26.4236,'m^3/(mol*s)'), n=1.81767, w0=(573.25,'kJ/mol'), E0=(48.6997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16252617676288564, var=0.23465306997700014, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C + Total Standard Deviation in ln(k): 1.3794709921570223"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 1.3794709921570223""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 1.3794709921570223 +""", +) + +entry( + index = 310, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_2NO->O", + kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(612,'kJ/mol'), E0=(62.1343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_N-4CNOS-u1_N-1R!H->O_Sp-2R!H-1CNS_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 203, - label = "Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R_Ext-4C-R", - kinetics = ArrheniusBM(A=(1.08e+08,'m^3/(mol*s)'), n=-0.75, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R_Ext-4C-R + index = 311, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_N-2NO->O", + kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(534.5,'kJ/mol'), E0=(52.8808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_N-2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R_Ext-4C-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_Ext-1R!H-R_4CHNS->C_Ext-4C-R_N-Sp-7R!H#4C_7R!H->C_Ext-4C-R_Ext-4C-R +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_2R!H-u1_N-1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 204, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing", - kinetics = ArrheniusBM(A=(0.000675,'m^3/(mol*s)'), n=2.7, w0=(483500,'J/mol'), E0=(35785.7,'J/mol'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing + index = 312, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_N-2R!H-u1", + kinetics = ArrheniusBM(A=(15593,'m^3/(mol*s)'), n=1.06688, w0=(534.5,'kJ/mol'), E0=(81.0903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_N-2R!H-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_N-2R!H-u1 Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_N-2R!H-u1 Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_1R!H-inRing +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_Sp-2R!H-1CN_N-2R!H-u1 Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 205, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing", - kinetics = ArrheniusBM(A=(6.31109e+06,'m^3/(mol*s)'), n=-0.199393, w0=(545429,'J/mol'), E0=(32200.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.1700346401571909, var=0.5832966950308113, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing - Total Standard Deviation in ln(k): 1.9583163355851787"""), + index = 313, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(7796.49,'m^3/(mol*s)'), n=1.06688, w0=(591.167,'kJ/mol'), E0=(80.9211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.057011751043032396, var=0.028842858770419186, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN + Total Standard Deviation in ln(k): 0.4837134814190469"""), rank = 11, - shortDesc = """BM rule fitted to 7 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing -Total Standard Deviation in ln(k): 1.9583163355851787""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 0.4837134814190469""", longDesc = """ -BM rule fitted to 7 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing -Total Standard Deviation in ln(k): 1.9583163355851787 +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 0.4837134814190469 """, ) entry( - index = 206, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_5R!H->C", - kinetics = ArrheniusBM(A=(2.41e+06,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_5R!H->C + index = 314, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_1CN->C", + kinetics = ArrheniusBM(A=(7796.49,'m^3/(mol*s)'), n=1.06688, w0=(557.5,'kJ/mol'), E0=(77.6898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_1CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_5R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_5R!H->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 207, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C", - kinetics = ArrheniusBM(A=(4.82e+06,'m^3/(mol*s)'), n=0, w0=(655500,'J/mol'), E0=(65550,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C + index = 315, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C", + kinetics = ArrheniusBM(A=(7796.49,'m^3/(mol*s)'), n=1.06688, w0=(608,'kJ/mol'), E0=(87.5182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49507337468596346, var=0.574836626457476, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C + Total Standard Deviation in ln(k): 2.763852614414684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.763852614414684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.763852614414684 +""", +) + +entry( + index = 316, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C", + kinetics = ArrheniusBM(A=(7796.49,'m^3/(mol*s)'), n=1.06688, w0=(545,'kJ/mol'), E0=(86.1718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_4CNOS->C_Sp-5R!H-4C_N-5R!H->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 208, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C", - kinetics = ArrheniusBM(A=(2.41e+07,'m^3/(mol*s)'), n=0, w0=(679500,'J/mol'), E0=(67950,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C + index = 317, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(7796.49,'m^3/(mol*s)'), n=1.06688, w0=(671,'kJ/mol'), E0=(113.215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_5R!H->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 209, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C", - kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=0, w0=(679500,'J/mol'), E0=(55695.5,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C + index = 318, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H", + kinetics = ArrheniusBM(A=(188.441,'m^3/(mol*s)'), n=1.42021, w0=(580.682,'kJ/mol'), E0=(51.2818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0478878818998446, var=0.42326652168253054, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H',), comment="""BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H + Total Standard Deviation in ln(k): 1.4245806320414967"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H +Total Standard Deviation in ln(k): 1.4245806320414967""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H +Total Standard Deviation in ln(k): 1.4245806320414967 +""", +) + +entry( + index = 319, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(215.536,'m^3/(mol*s)'), n=1.4347, w0=(571.688,'kJ/mol'), E0=(59.6376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17431095829825538, var=0.5766309494250792, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 1.960287268892163"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.960287268892163""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.960287268892163 +""", +) + +entry( + index = 320, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C", + kinetics = ArrheniusBM(A=(397.05,'m^3/(mol*s)'), n=1.41411, w0=(568.625,'kJ/mol'), E0=(73.9152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4804158052411018, var=2.131708491083907, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C + Total Standard Deviation in ln(k): 6.6466253985494355"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C +Total Standard Deviation in ln(k): 6.6466253985494355""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C +Total Standard Deviation in ln(k): 6.6466253985494355 +""", +) + +entry( + index = 321, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C", + kinetics = ArrheniusBM(A=(9.67138e+11,'m^3/(mol*s)'), n=-1.46326, w0=(538.75,'kJ/mol'), E0=(96.0237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6656089753303559, var=5.469532786017205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C + Total Standard Deviation in ln(k): 6.360864755781332"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C +Total Standard Deviation in ln(k): 6.360864755781332""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C +Total Standard Deviation in ln(k): 6.360864755781332 +""", +) + +entry( + index = 322, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_4BrO->O", + kinetics = ArrheniusBM(A=(2.41e+07,'m^3/(mol*s)'), n=-1.34279e-09, w0=(563,'kJ/mol'), E0=(80.7697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_4BrO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_4BrO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_4BrO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_2R!H->C_Ext-4CNOS-R_N-Sp-5R!H=4CCNNOOSS_N-4CNOS->C_5R!H-u0_N-5R!H->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_4BrO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 210, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_5BrCClFIOPSSi->C", - kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.69, w0=(598500,'J/mol'), E0=(17330.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_5BrCClFIOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_5BrCClFIOPSSi->C + index = 323, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_N-4BrO->O", + kinetics = ArrheniusBM(A=(2.37e+06,'m^3/(mol*s)'), n=8.94542e-09, w0=(514.5,'kJ/mol'), E0=(51.4476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_N-4BrO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_N-4BrO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_5BrCClFIOPSSi->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_N-4BrO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_5BrCClFIOPSSi->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_2R!H->C_N-4BrO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 211, - label = "Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_N-5BrCClFIOPSSi->C", - kinetics = ArrheniusBM(A=(0.029,'m^3/(mol*s)'), n=2.69, w0=(598500,'J/mol'), E0=(13374.2,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_N-5BrCClFIOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_N-5BrCClFIOPSSi->C + index = 324, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(382.985,'m^3/(mol*s)'), n=1.41908, w0=(598.5,'kJ/mol'), E0=(63.0061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4208821242048962, var=1.1578802812670888, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C + Total Standard Deviation in ln(k): 3.21468486060022"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 3.21468486060022""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 3.21468486060022 +""", +) + +entry( + index = 325, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_2NO->O", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=1.3714e-08, w0=(607,'kJ/mol'), E0=(65.6653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_N-5BrCClFIOPSSi->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_1R!H->O_N-2R!H->C_N-4CNOS->O_N-4CN->C_Ext-4N-R_N-5R!H->N_N-5BrCClFIOPSSi->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 212, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1", - kinetics = ArrheniusBM(A=(0.029,'m^3/(mol*s)'), n=2.69, w0=(548000,'J/mol'), E0=(39565.9,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 + index = 326, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_N-2NO->O", + kinetics = ArrheniusBM(A=(378.049,'m^3/(mol*s)'), n=1.42089, w0=(590,'kJ/mol'), E0=(87.0848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_N-2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_2N-u1 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_1CN->C_N-2R!H->C_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 213, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_N-2N-u1", - kinetics = ArrheniusBM(A=(0.029,'m^3/(mol*s)'), n=2.69, w0=(548000,'J/mol'), E0=(54800,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_N-2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 + index = 327, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C", + kinetics = ArrheniusBM(A=(211.933,'m^3/(mol*s)'), n=1.42089, w0=(574.75,'kJ/mol'), E0=(52.9829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18555929312150604, var=0.5929073925262265, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C + Total Standard Deviation in ln(k): 2.009885012679163"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.009885012679163""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.009885012679163 +""", +) + +entry( + index = 328, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N", + kinetics = ArrheniusBM(A=(2120.6,'m^3/(mol*s)'), n=1.11273, w0=(548,'kJ/mol'), E0=(85.436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4957220867214385, var=0.04064125112183595, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N + Total Standard Deviation in ln(k): 1.6496809649375654"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N +Total Standard Deviation in ln(k): 1.6496809649375654""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N +Total Standard Deviation in ln(k): 1.6496809649375654 +""", +) + +entry( + index = 329, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_2N-u1", + kinetics = ArrheniusBM(A=(126.016,'m^3/(mol*s)'), n=1.42089, w0=(548,'kJ/mol'), E0=(65.8663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_2N-u1 Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_2N-u1 Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_4CNOS->O_Ext-4O-R_5R!H-u0_Sp-2R!H-1CNS_2R!H->N_N-2N-u1 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_2N-u1 Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 214, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C", - kinetics = ArrheniusBM(A=(2.89e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C + index = 330, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_N-2N-u1", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(548,'kJ/mol'), E0=(95.0617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_N-2N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_N-2N-u1 Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_N-2N-u1 Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_1CNS->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_2R!H->N_N-2N-u1 Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 215, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C", - kinetics = ArrheniusBM(A=(1.2,'m^3/(mol*s)'), n=2, w0=(648000,'J/mol'), E0=(54170.7,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C + index = 331, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(601.5,'kJ/mol'), E0=(55.8376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3952282719518495, var=0.405185312480099, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N + Total Standard Deviation in ln(k): 2.2691332966063107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N +Total Standard Deviation in ln(k): 2.2691332966063107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N +Total Standard Deviation in ln(k): 2.2691332966063107 +""", +) + +entry( + index = 332, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_2CO->C", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(577.5,'kJ/mol'), E0=(80.4152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_2CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_2CO->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_2CO->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_5R!H->O_N-1CNS->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_2CO->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 216, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS", - kinetics = ArrheniusBM(A=(1.05319e+07,'m^3/(mol*s)'), n=-0.250519, w0=(533900,'J/mol'), E0=(39536.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.1636050951277374, var=0.25119831907169365, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS - Total Standard Deviation in ln(k): 1.4158350573264697"""), + index = 333, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_N-2CO->C", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(625.5,'kJ/mol'), E0=(54.6587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_N-2CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_N-2CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS -Total Standard Deviation in ln(k): 1.4158350573264697""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_N-2CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 5 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS -Total Standard Deviation in ln(k): 1.4158350573264697 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_Sp-2R!H-1CN_N-1CN->C_N-2R!H->N_N-2CO->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 217, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS", - kinetics = ArrheniusBM(A=(1.52e+08,'m^3/(mol*s)'), n=-0.7, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS + index = 334, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(126.016,'m^3/(mol*s)'), n=1.42089, w0=(604.667,'kJ/mol'), E0=(93.6128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03378285749923737, var=0.023580468179042528, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN + Total Standard Deviation in ln(k): 0.39272732909583924"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 0.39272732909583924""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 0.39272732909583924 +""", +) + +entry( + index = 335, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_1CN->C", + kinetics = ArrheniusBM(A=(126.016,'m^3/(mol*s)'), n=1.42089, w0=(571,'kJ/mol'), E0=(91.6612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_1CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_N-Sp-5CS-4CCNSS +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 218, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N", - kinetics = ArrheniusBM(A=(0.82,'m^3/(mol*s)'), n=1.87, w0=(524000,'J/mol'), E0=(52400,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N + index = 336, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C", + kinetics = ArrheniusBM(A=(126.016,'m^3/(mol*s)'), n=1.42089, w0=(621.5,'kJ/mol'), E0=(100.087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46238895372303496, var=0.5351232967112397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C + Total Standard Deviation in ln(k): 2.6282875422732004"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.6282875422732004""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.6282875422732004 +""", +) + +entry( + index = 337, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C", + kinetics = ArrheniusBM(A=(126.016,'m^3/(mol*s)'), n=1.42089, w0=(558.5,'kJ/mol'), E0=(100.143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_2NO->N +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 219, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N", - kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(601500,'J/mol'), E0=(75336.7,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N + index = 338, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(126.016,'m^3/(mol*s)'), n=1.42089, w0=(684.5,'kJ/mol'), E0=(127.187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_4CNS->C_N-1CNS->C_N-2R!H->C_2NO-u1_N-2NO->N +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_4BrFHO-u1_N-4BrFHO->F_N-4BrHO->H_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 220, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R", - kinetics = ArrheniusBM(A=(2.36058e+07,'m^3/(mol*s)'), n=-0.372184, w0=(550250,'J/mol'), E0=(35580.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.25457934710988045, var=1.6100541888330673, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R - Total Standard Deviation in ln(k): 3.1834130560690546"""), + index = 339, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1", + kinetics = ArrheniusBM(A=(7054.09,'m^3/(mol*s)'), n=1.0841, w0=(576.538,'kJ/mol'), E0=(56.837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02419518439204284, var=0.34565319208141554, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1',), comment="""BM rule fitted to 13 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1 + Total Standard Deviation in ln(k): 1.2394213350579366"""), rank = 11, - shortDesc = """BM rule fitted to 4 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R -Total Standard Deviation in ln(k): 3.1834130560690546""", + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1 +Total Standard Deviation in ln(k): 1.2394213350579366""", longDesc = """ -BM rule fitted to 4 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R -Total Standard Deviation in ln(k): 3.1834130560690546 +BM rule fitted to 13 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1 +Total Standard Deviation in ln(k): 1.2394213350579366 """, ) entry( - index = 221, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C", - kinetics = ArrheniusBM(A=(1.97085e+06,'m^3/(mol*s)'), n=-0.0393785, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0327092327690802, var=0.00213978781668374, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C - Total Standard Deviation in ln(k): 0.1749187175813773"""), + index = 340, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(26310,'m^3/(mol*s)'), n=0.948906, w0=(572.25,'kJ/mol'), E0=(64.2788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03566210818466407, var=0.3716976012920232, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN',), comment="""BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN + Total Standard Deviation in ln(k): 1.3118302734341163"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C -Total Standard Deviation in ln(k): 0.1749187175813773""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.3118302734341163""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C -Total Standard Deviation in ln(k): 0.1749187175813773 +BM rule fitted to 8 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN +Total Standard Deviation in ln(k): 1.3118302734341163 """, ) entry( - index = 222, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C", - kinetics = ArrheniusBM(A=(1.21e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C + index = 341, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C", + kinetics = ArrheniusBM(A=(16831.7,'m^3/(mol*s)'), n=1.06177, w0=(569.75,'kJ/mol'), E0=(73.7328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11403900742135568, var=0.20491336433261828, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C + Total Standard Deviation in ln(k): 1.1940207612200657"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C +Total Standard Deviation in ln(k): 1.1940207612200657""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C +Total Standard Deviation in ln(k): 1.1940207612200657 +""", +) + +entry( + index = 342, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.73205e+07,'m^3/(mol*s)'), n=2.98355e-07, w0=(563,'kJ/mol'), E0=(42.8607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.850400662220912e-09, var=2.413897915575754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.1147015616715765"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1147015616715765""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1147015616715765 +""", +) + +entry( + index = 343, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3e+07,'m^3/(mol*s)'), n=1.9444e-08, w0=(563,'kJ/mol'), E0=(61.5494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_N-Sp-6C-4C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-2R!H-R_Ext-2R!H-R Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 223, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R", - kinetics = ArrheniusBM(A=(7.76827e+08,'m^3/(mol*s)'), n=-0.9, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.0763652085225523e-17, var=0.04891149884417046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R - Total Standard Deviation in ln(k): 0.4433660913390881"""), + index = 344, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3e+07,'m^3/(mol*s)'), n=2.28759e-09, w0=(563,'kJ/mol'), E0=(64.8167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R -Total Standard Deviation in ln(k): 0.4433660913390881""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R -Total Standard Deviation in ln(k): 0.4433660913390881 +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_1CN->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 224, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C", - kinetics = ArrheniusBM(A=(3.11937e+07,'m^3/(mol*s)'), n=-0.389378, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.032709232769080235, var=0.0016076635746038646, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C - Total Standard Deviation in ln(k): 0.16256521857885725"""), + index = 345, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C", + kinetics = ArrheniusBM(A=(14964.5,'m^3/(mol*s)'), n=1.00474, w0=(574.75,'kJ/mol'), E0=(61.1126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13973654848076847, var=0.3568136002652523, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C + Total Standard Deviation in ln(k): 1.548602830919053"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C -Total Standard Deviation in ln(k): 0.16256521857885725""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 1.548602830919053""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C -Total Standard Deviation in ln(k): 0.16256521857885725 +BM rule fitted to 4 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 1.548602830919053 """, ) entry( - index = 225, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_N-1CNS->C", - kinetics = ArrheniusBM(A=(644,'m^3/(mol*s)'), n=1.19, w0=(513500,'J/mol'), E0=(42507.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_N-1CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_N-1CNS->C + index = 346, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_2R!H->C", + kinetics = ArrheniusBM(A=(10720.2,'m^3/(mol*s)'), n=1.06688, w0=(577.5,'kJ/mol'), E0=(64.9804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_N-1CNS->C + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_N-1CNS->C +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 226, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C", - kinetics = ArrheniusBM(A=(1.05265e+08,'m^3/(mol*s)'), n=-0.55, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=3.513977146582821, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C - Total Standard Deviation in ln(k): 3.75799723098171"""), + index = 347, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(9539.22,'m^3/(mol*s)'), n=1.05389, w0=(573.833,'kJ/mol'), E0=(58.9174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2730453966012547, var=0.6906212917859244, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C + Total Standard Deviation in ln(k): 2.3520512828456757"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -Total Standard Deviation in ln(k): 3.75799723098171""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 2.3520512828456757""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C -Total Standard Deviation in ln(k): 3.75799723098171 +BM rule fitted to 3 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C +Total Standard Deviation in ln(k): 2.3520512828456757 """, ) entry( - index = 227, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C", - kinetics = ArrheniusBM(A=(1.9053e+06,'m^3/(mol*s)'), n=-0.0575531, w0=(561500,'J/mol'), E0=(16527.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.2144940523654643, var=1.5169644222011907, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C - Total Standard Deviation in ln(k): 3.008063935012343"""), + index = 348, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1", + kinetics = ArrheniusBM(A=(323.865,'m^3/(mol*s)'), n=1.46107, w0=(586.75,'kJ/mol'), E0=(41.8876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004546882652337396, var=0.219990087425385, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1 + Total Standard Deviation in ln(k): 0.9517072444467146"""), rank = 11, - shortDesc = """BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C -Total Standard Deviation in ln(k): 3.008063935012343""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1 +Total Standard Deviation in ln(k): 0.9517072444467146""", longDesc = """ -BM rule fitted to 2 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C -Total Standard Deviation in ln(k): 3.008063935012343 +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1 +Total Standard Deviation in ln(k): 0.9517072444467146 """, ) entry( - index = 228, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R", - kinetics = ArrheniusBM(A=(1.45e+06,'m^3/(mol*s)'), n=0, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R + index = 349, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_2NO->O", + kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(625.5,'kJ/mol'), E0=(50.71,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Sp-6C-4C_Ext-6C-R +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 229, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R", - kinetics = ArrheniusBM(A=(2.86e+09,'m^3/(mol*s)'), n=-1.1, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R + index = 350, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_N-2NO->O", + kinetics = ArrheniusBM(A=(2160.18,'m^3/(mol*s)'), n=1.18368, w0=(548,'kJ/mol'), E0=(51.4356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_N-2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_Ext-4CNS-R_Ext-4CNS-R +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_2NO-u1_N-2NO->O Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 230, - label = "Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R", - kinetics = ArrheniusBM(A=(2.29e+07,'m^3/(mol*s)'), n=-0.35, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R + index = 351, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_N-2NO-u1", + kinetics = ArrheniusBM(A=(10720.2,'m^3/(mol*s)'), n=1.06688, w0=(548,'kJ/mol'), E0=(79.6269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_N-2NO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_N-2NO-u1 Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_N-2NO-u1 Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_N-4R->H_4CNOS-u1_N-1R!H->O_N-4CNOS->O_Ext-4CNS-R_N-Sp-5R!H#4CCCNNNSSS_N-2R!H->S_N-5R!H->O_Sp-5CS-4CCNSS_1CNS->C_Ext-5CS-R +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_Sp-2R!H-1CN_N-1CN->C_N-2R!H->C_N-2NO-u1 Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 231, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C_Ext-4C-R", - kinetics = ArrheniusBM(A=(2.16e+08,'m^3/(mol*s)'), n=-0.75, w0=(539000,'J/mol'), E0=(53900,'J/mol'), Tmin=(300,'K'), Tmax=(2500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C_Ext-4C-R + index = 352, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN", + kinetics = ArrheniusBM(A=(5519.78,'m^3/(mol*s)'), n=1.06696, w0=(583.4,'kJ/mol'), E0=(57.8319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040831960741316224, var=0.00046822933154973343, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN',), comment="""BM rule fitted to 5 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN + Total Standard Deviation in ln(k): 0.1459725415269507"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 0.1459725415269507""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN +Total Standard Deviation in ln(k): 0.1459725415269507 +""", +) + +entry( + index = 353, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.53495e+07,'m^3/(mol*s)'), n=2.08086e-05, w0=(551.5,'kJ/mol'), E0=(88.7899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003893619204528533, var=0.960906002441363, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.97494082197028"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.97494082197028""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.97494082197028 +""", +) + +entry( + index = 354, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_1CN->C", + kinetics = ArrheniusBM(A=(5522.51,'m^3/(mol*s)'), n=1.06688, w0=(571,'kJ/mol'), E0=(76.2264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_1CN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C_Ext-4C-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_2R!H->C_Ext-4C-R +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_1CN->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( - index = 232, - label = "Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-6C-R", - kinetics = ArrheniusBM(A=(1.94e+06,'m^3/(mol*s)'), n=0, w0=(561500,'J/mol'), E0=(36677.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-6C-R + index = 355, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C", + kinetics = ArrheniusBM(A=(5522.51,'m^3/(mol*s)'), n=1.06688, w0=(621.5,'kJ/mol'), E0=(86.3737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4892709302946329, var=0.5624608749369729, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C + Total Standard Deviation in ln(k): 2.732822962342696"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.732822962342696""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C +Total Standard Deviation in ln(k): 2.732822962342696 +""", +) + +entry( + index = 356, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C", + kinetics = ArrheniusBM(A=(5522.51,'m^3/(mol*s)'), n=1.06688, w0=(558.5,'kJ/mol'), E0=(84.7084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 357, + label = "Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C", + kinetics = ArrheniusBM(A=(5522.51,'m^3/(mol*s)'), n=1.06688, w0=(684.5,'kJ/mol'), E0=(111.752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = """BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-6C-R + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = """ -BM rule fitted to 1 training reactions at node Root_Ext-1R!H-R_N-4R->O_N-Sp-5R!H=1R!H_Ext-4CHNS-R_N-6R!H->S_4CHNS->C_N-Sp-6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi#4C_6BrCClFINOPSi->C_N-1R!H-inRing_Ext-4C-R_N-2R!H->C_Ext-7R!H-R_Ext-6C-R +BM rule fitted to 1 training reactions at node Root_N-4R->C_N-4BrClFHNOS->N_N-1R!H->O_N-4BrClFHO->Cl_N-4BrFHO-u1_N-Sp-2R!H-1CN_N-1CN->C_N-2R!H->C Total Standard Deviation in ln(k): 11.540182761524994 """, ) diff --git a/input/kinetics/families/Disproportionation/training/dictionary.txt b/input/kinetics/families/Disproportionation/training/dictionary.txt index c9fa603661..3be887c6e5 100644 --- a/input/kinetics/families/Disproportionation/training/dictionary.txt +++ b/input/kinetics/families/Disproportionation/training/dictionary.txt @@ -1,26 +1,3 @@ -C2H2_1 -1 *3 C u0 p0 c0 {2,T} {3,S} -2 *2 C u0 p0 c0 {1,T} {4,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} - -O2 -multiplicity 3 -1 *1 O u1 p2 c0 {2,S} -2 O u1 p2 c0 {1,S} - -HO2 -multiplicity 2 -1 *1 O u0 p2 c0 {2,S} {3,S} -2 O u1 p2 c0 {1,S} -3 *4 H u0 p0 c0 {1,S} - -CH2O -1 *2 O u0 p2 c0 {2,D} -2 *3 C u0 p0 c0 {1,D} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} - C2H multiplicity 2 1 C u0 p0 c0 {2,T} {3,S} @@ -35,6 +12,18 @@ multiplicity 2 4 H u0 p0 c0 {2,S} 5 *4 H u0 p0 c0 {1,S} +C2H2 +1 *1 C u0 p0 c0 {2,T} {3,S} +2 C u0 p0 c0 {1,T} {4,S} +3 *4 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +CH2O +1 *2 O u0 p2 c0 {2,D} +2 *3 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + C2H3 multiplicity 2 1 *2 C u0 p0 c0 {2,D} {3,S} {4,S} @@ -43,12 +32,23 @@ multiplicity 2 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} -C2H2 -1 *1 C u0 p0 c0 {2,T} {3,S} -2 C u0 p0 c0 {1,T} {4,S} -3 *4 H u0 p0 c0 {1,S} +O2 +multiplicity 3 +1 *1 O u1 p2 c0 {2,S} +2 O u1 p2 c0 {1,S} + +C2H2-2 +1 *2 C u0 p0 c0 {2,T} {3,S} +2 *3 C u0 p0 c0 {1,T} {4,S} +3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {2,S} +HO2 +multiplicity 2 +1 *1 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 *4 H u0 p0 c0 {1,S} + C2H5 multiplicity 2 1 *2 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} @@ -60,8 +60,8 @@ multiplicity 2 7 H u0 p0 c0 {2,S} C2H4 -1 *3 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} +1 *2 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *3 C u0 p0 c0 {1,D} {5,S} {6,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} @@ -80,13 +80,6 @@ multiplicity 2 3 H u0 p0 c0 {1,S} 4 *4 H u0 p0 c0 {1,S} -CH3_r1 -multiplicity 2 -1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} - H multiplicity 2 1 *1 H u1 p0 c0 @@ -95,6 +88,13 @@ H2 1 *1 H u0 p0 c0 {2,S} 2 *4 H u0 p0 c0 {1,S} +CH3-2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + CH4 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 H u0 p0 c0 {1,S} @@ -113,14 +113,14 @@ multiplicity 2 7 H u0 p0 c0 {2,S} C2H6 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 *4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} +8 *4 H u0 p0 c0 {2,S} C3H5 multiplicity 2 @@ -227,12 +227,12 @@ multiplicity 2 5 H u0 p0 c0 {2,S} C2H4-2 -1 *1 C u0 p0 c0 {2,D} {3,S} {6,S} -2 C u0 p0 c0 {1,D} {4,S} {5,S} +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 C u0 p0 c0 {1,D} {5,S} {6,S} 3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} -6 *4 H u0 p0 c0 {1,S} +6 *4 H u0 p0 c0 {2,S} HO multiplicity 2 @@ -248,9 +248,9 @@ CH3O-3 multiplicity 2 1 *3 O u1 p2 c0 {2,S} 2 *2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} +3 *4 H u0 p0 c0 {2,S} 4 H u0 p0 c0 {2,S} -5 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} CH2O-2 1 *3 O u0 p2 c0 {2,D} @@ -263,8 +263,8 @@ multiplicity 2 1 *2 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} 3 *3 C u1 p0 c0 {1,S} {9,S} {10,S} -4 H u0 p0 c0 {1,S} -5 *4 H u0 p0 c0 {1,S} +4 *4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} @@ -424,6 +424,56 @@ CH4S 5 H u0 p0 c0 {2,S} 6 *4 H u0 p0 c0 {1,S} +C3H7-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {9,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} + +C3H7-4 +multiplicity 2 +1 *2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {10,S} +4 *4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} + +C3H8-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 *4 H u0 p0 c0 {3,S} + +C3H6-3 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *2 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + HS2 multiplicity 2 1 S u0 p2 c0 {2,S} {3,S} @@ -437,8 +487,8 @@ multiplicity 2 3 *3 C u1 p0 c0 {1,S} {4,S} {11,S} 4 C u0 p0 c0 {3,S} {5,D} {12,S} 5 C u0 p0 c0 {4,D} {13,S} {14,S} -6 H u0 p0 c0 {1,S} -7 *4 H u0 p0 c0 {1,S} +6 *4 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} @@ -482,6 +532,68 @@ CH2S 3 H u0 p0 c0 {2,S} 4 H u0 p0 c0 {2,S} +C4H9-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *1 C u1 p0 c0 {1,S} {12,S} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} + +C4H9-4 +multiplicity 2 +1 *2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} +5 *4 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} + +C4H10-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *1 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 *4 H u0 p0 c0 {4,S} + +C4H8-3 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *2 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + C3H5-2 multiplicity 2 1 *2 C u0 p0 c0 {2,S} {3,D} {4,S} @@ -523,22 +635,6 @@ CH2O-3 3 *4 H u0 p0 c0 {2,S} 4 H u0 p0 c0 {2,S} -CH3O-4 -multiplicity 2 -1 *1 O u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} - -CH4O-2 -1 *1 O u0 p2 c0 {2,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *4 H u0 p0 c0 {1,S} - HO2-2 multiplicity 2 1 O u0 p2 c0 {2,S} {3,S} @@ -555,9 +651,9 @@ CH3S-3 multiplicity 2 1 *3 S u1 p2 c0 {2,S} 2 *2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} +3 *4 H u0 p0 c0 {2,S} 4 H u0 p0 c0 {2,S} -5 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} CH2S-2 1 *3 S u0 p2 c0 {2,D} @@ -593,8 +689,8 @@ multiplicity 2 2 *3 C u1 p0 c0 {1,S} {3,S} {8,S} 3 C u0 p0 c0 {2,S} {4,D} {9,S} 4 C u0 p0 c0 {3,D} {10,S} {11,S} -5 H u0 p0 c0 {1,S} -6 *4 H u0 p0 c0 {1,S} +5 *4 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} @@ -602,10 +698,10 @@ multiplicity 2 11 H u0 p0 c0 {4,S} C4H6 -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 *3 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *2 C u0 p0 c0 {2,D} {9,S} {10,S} +1 *3 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 *2 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {3,S} @@ -619,8 +715,8 @@ multiplicity 2 2 C u0 p0 c0 {1,S} {4,D} {7,S} 3 *3 C u1 p0 c0 {1,S} {8,S} {9,S} 4 C u0 p0 c0 {2,D} {10,S} {11,S} -5 H u0 p0 c0 {1,S} -6 *4 H u0 p0 c0 {1,S} +5 *4 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} @@ -628,10 +724,10 @@ multiplicity 2 11 H u0 p0 c0 {4,S} C4H6-2 -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 *2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *3 C u0 p0 c0 {2,D} {9,S} {10,S} +1 *2 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 *3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {3,S} @@ -660,16 +756,16 @@ C5H8-3 1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} 2 *2 C u0 p0 c0 {1,S} {3,S} {4,D} 3 C u0 p0 c0 {2,S} {5,D} {9,S} -4 *3 C u0 p0 c0 {2,D} {12,S} {13,S} -5 C u0 p0 c0 {3,D} {10,S} {11,S} +4 *3 C u0 p0 c0 {2,D} {10,S} {11,S} +5 C u0 p0 c0 {3,D} {12,S} {13,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} C6H9 multiplicity 2 @@ -693,15 +789,15 @@ C6H8 1 *2 C u0 p0 c0 {2,S} {3,S} {4,D} 2 C u0 p0 c0 {1,S} {5,D} {7,S} 3 C u0 p0 c0 {1,S} {6,D} {8,S} -4 *3 C u0 p0 c0 {1,D} {11,S} {12,S} -5 C u0 p0 c0 {2,D} {9,S} {10,S} +4 *3 C u0 p0 c0 {1,D} {9,S} {10,S} +5 C u0 p0 c0 {2,D} {11,S} {12,S} 6 C u0 p0 c0 {3,D} {13,S} {14,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {6,S} @@ -754,6 +850,12 @@ multiplicity 3 3 *4 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} +HN2-2 +multiplicity 2 +1 *2 N u0 p1 c0 {2,D} {3,S} +2 *3 N u1 p1 c0 {1,D} +3 H u0 p0 c0 {1,S} + H3N2 multiplicity 2 1 *2 N u0 p1 c0 {2,S} {3,S} {4,S} @@ -788,8 +890,8 @@ H2NO multiplicity 2 1 *3 O u1 p2 c0 {2,S} 2 *2 N u0 p1 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 *4 H u0 p0 c0 {2,S} +3 *4 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} HNO-2 1 *3 O u0 p2 c0 {2,D} @@ -974,3 +1076,501 @@ C6H4 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {4,S} +C2H3F2 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} +5 *4 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H2F2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {4,D} {5,S} {6,S} +4 *3 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H4F +multiplicity 2 +1 F u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *3 C u1 p0 c0 {2,S} {6,S} {7,S} +4 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H3F +1 F u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H3F2-2 +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 *3 C u1 p0 c0 {2,S} {3,S} {7,S} +5 *4 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H2F2-2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {5,S} +4 *3 C u0 p0 c0 {2,S} {3,D} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +C2H2F3 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +6 *4 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +C2HF3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {5,D} {6,S} +5 *3 C u0 p0 c0 {2,S} {3,S} {4,D} +6 H u0 p0 c0 {4,S} + +C2H3F2-3 +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *3 C u1 p0 c0 {3,S} {6,S} {7,S} +5 *4 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +C2H2F2-3 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *3 C u0 p0 c0 {3,D} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} + +C2H2F3-2 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 *3 C u1 p0 c0 {3,S} {4,S} {7,S} +6 *4 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +C2HF3-2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {5,D} +5 *3 C u0 p0 c0 {3,S} {4,D} {6,S} +6 H u0 p0 c0 {5,S} + +C2HF4 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 *3 C u1 p0 c0 {3,S} {4,S} {5,S} +7 *4 H u0 p0 c0 {5,S} + +C2F4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {6,D} +6 *3 C u0 p0 c0 {3,S} {4,S} {5,D} + +C2H4F-2 +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {7,S} +4 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H3F-2 +1 F u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *3 C u0 p0 c0 {1,S} {2,D} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +F +multiplicity 2 +1 *1 F u1 p3 c0 + +FH +1 *1 F u0 p3 c0 {2,S} +2 *4 H u0 p0 c0 {1,S} + +C3H2F3 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +5 *2 C u0 p0 c0 {6,D} {7,S} {8,S} +6 *3 C u1 p0 c0 {4,S} {5,D} +7 *4 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} + +C3HF3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 C u0 p0 c0 {4,S} {6,T} +6 *2 C u0 p0 c0 {5,T} {7,S} +7 H u0 p0 c0 {6,S} + +CF3 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {3,S} + +CHF3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *4 H u0 p0 c0 {4,S} + +C2H3O +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 *2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *3 C u1 p0 c0 {1,D} {2,S} +4 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +C2H2O +1 O u0 p2 c0 {3,D} +2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *3 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C3HF4 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +6 *2 C u0 p0 c0 {4,S} {7,D} {8,S} +7 *3 C u1 p0 c0 {5,S} {6,D} +8 *4 H u0 p0 c0 {6,S} + +C3F4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *3 C u0 p0 c0 {5,S} {7,T} +7 *2 C u0 p0 c0 {4,S} {6,T} + +C3HF4-2 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *2 C u0 p0 c0 {5,S} {7,D} {8,S} +7 *3 C u1 p0 c0 {4,S} {6,D} +8 *4 H u0 p0 c0 {6,S} + +C3F4-2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *2 C u0 p0 c0 {5,S} {7,T} +7 *3 C u0 p0 c0 {4,S} {6,T} + +Br +multiplicity 2 +1 *1 Br u1 p3 c0 + +BrH +1 *1 Br u0 p3 c0 {2,S} +2 *4 H u0 p0 c0 {1,S} + +BrO +multiplicity 2 +1 Br u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +BrHO +1 Br u0 p3 c0 {2,S} +2 *1 O u0 p2 c0 {1,S} {3,S} +3 *4 H u0 p0 c0 {2,S} + +CH2ClO +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 *3 O u1 p2 c0 {3,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} + +CHClO +1 Cl u0 p3 c0 {3,S} +2 *3 O u0 p2 c0 {3,D} +3 *2 C u0 p0 c0 {1,S} {2,D} {4,S} +4 H u0 p0 c0 {3,S} + +C2H4Cl +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H4Cl-2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {7,S} +4 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H5Cl +1 Cl u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 *4 H u0 p0 c0 {3,S} + +C2H3Cl +1 Cl u0 p3 c0 {2,S} +2 *3 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *2 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +Cl +multiplicity 2 +1 *1 Cl u1 p3 c0 + +ClH +1 *1 Cl u0 p3 c0 {2,S} +2 *4 H u0 p0 c0 {1,S} + +ClO +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +ClHO +1 Cl u0 p3 c0 {2,S} +2 *1 O u0 p2 c0 {1,S} {3,S} +3 *4 H u0 p0 c0 {2,S} + +C2H4Cl-3 +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *3 C u1 p0 c0 {2,S} {6,S} {7,S} +4 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H3Cl-2 +1 Cl u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H3Cl2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 *3 C u1 p0 c0 {2,S} {3,S} {7,S} +5 *4 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H2Cl2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {5,S} +4 *3 C u0 p0 c0 {2,S} {3,D} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +C2H3Cl2-2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *3 C u1 p0 c0 {3,S} {6,S} {7,S} +5 *4 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +C2H2Cl2-2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *3 C u0 p0 c0 {3,D} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} + +C2H3Cl2-3 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} +5 *4 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H2Cl2-3 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {4,D} {5,S} {6,S} +4 *3 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H2Cl3 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +6 *4 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +C2HCl3 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {5,D} {6,S} +5 *3 C u0 p0 c0 {2,S} {3,S} {4,D} +6 H u0 p0 c0 {4,S} + +C2H2Cl3-2 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 *3 C u1 p0 c0 {3,S} {4,S} {7,S} +6 *4 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +C2HCl3-2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {5,D} +5 *3 C u0 p0 c0 {3,S} {4,D} {6,S} +6 H u0 p0 c0 {5,S} + +C2HCl4 +multiplicity 2 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 *3 C u1 p0 c0 {3,S} {4,S} {5,S} +7 *4 H u0 p0 c0 {5,S} + +C2Cl4 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {6,D} +6 *3 C u0 p0 c0 {3,S} {4,S} {5,D} + +C2H2Cl +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *3 C u1 p0 c0 {1,S} {2,D} +4 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C2HCl +1 Cl u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,T} {4,S} +3 *3 C u0 p0 c0 {1,S} {2,T} +4 H u0 p0 c0 {2,S} + +C2H2Cl-2 +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *3 C u1 p0 c0 {2,D} {5,S} +4 *4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +C2HCl-2 +1 Cl u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,T} +3 *3 C u0 p0 c0 {2,T} {4,S} +4 H u0 p0 c0 {3,S} + +C2HCl2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {5,S} +4 *3 C u1 p0 c0 {2,S} {3,D} +5 *4 H u0 p0 c0 {3,S} + +C2Cl2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {1,S} {4,T} +4 *3 C u0 p0 c0 {2,S} {3,T} + diff --git a/input/kinetics/families/Disproportionation/training/reactions.py b/input/kinetics/families/Disproportionation/training/reactions.py index 029b7a1b79..5e84d60299 100644 --- a/input/kinetics/families/Disproportionation/training/reactions.py +++ b/input/kinetics/families/Disproportionation/training/reactions.py @@ -2,8 +2,8 @@ # encoding: utf-8 name = "Disproportionation/training" -shortDesc = u"Reaction kinetics used to generate rate rules" -longDesc = u""" +shortDesc = "Reaction kinetics used to generate rate rules" +longDesc = """ Put kinetic parameters for specific reactions in this file to use as a training set for generating rate rules to populate this kinetics family. """ @@ -11,18 +11,11 @@ index = 0, label = "C2H + CH3O <=> C2H2 + CH2O", degeneracy = 3.0, - kinetics = Arrhenius( - A = (3.61e+13, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (0, 'kcal/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.61e+13,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 9, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: C2H + CH2OH --> C2H2 + CH2O @@ -39,20 +32,13 @@ entry( index = 1, - label = "C2H3 + O2 = C2H2_1 + HO2", + label = "C2H3 + O2 <=> C2H2-2 + HO2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.04e+16, 'cm^3/(mol*s)', '*|/', 5), - n = -1.26, - Ea = (3.31, 'kcal/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+16,'cm^3/(mol*s)','*|/',5), n=-1.26, Ea=(3.31,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, - shortDesc = u"""S.S. Merchant estimate""", + shortDesc = """S.S. Merchant estimate""", longDesc = -u""" +""" This rate rule is a estimate taken from NIST, ref: Aromatic and Polycyclic Aromatic Hydrocarbon Formation in a Laminar Premixed n-butane Flame Derived from fitting to a complex mechanism for C2H3 + O2 = C2H2 + HO2 @@ -63,18 +49,11 @@ index = 2, label = "C2H5 + O2 <=> HO2 + C2H4", degeneracy = 6.0, - kinetics = Arrhenius( - A = (4.338e+13, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (66.9022, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (700, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.338e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(66.9022,'kJ/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""[AJ] Miyoshi 2011 (Table 4, Node 'sp') dx.doi.org/10.1021/jp112152n""", + shortDesc = """[AJ] Miyoshi 2011 (Table 4, Node 'sp') dx.doi.org/10.1021/jp112152n""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review: i-C3H7 + O2 = HO2 + C3H6 @@ -100,18 +79,11 @@ index = 3, label = "CH2 + C2H5 <=> CH3 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (9.03e+13, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.03e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH2(triplet) + i-C3H7 --> C3H6 + CH3 @@ -131,18 +103,11 @@ index = 4, label = "H + C2H5 <=> H2 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (1.083e+13, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.083e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. H + i-C3H7 --> C3H6 + H2 @@ -159,20 +124,13 @@ entry( index = 5, - label = "CH3_r1 + C2H5 <=> CH4 + C2H4", + label = "CH3-2 + C2H5 <=> CH4 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (6.57e+14, 'cm^3/(mol*s)', '*|/', 1.1), - n = -0.68, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(6.57e+14,'cm^3/(mol*s)','*|/',1.1), n=-0.68, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH3 + i-C3H7 --> C3H6 + CH4 @@ -205,20 +163,13 @@ entry( index = 6, - label = "C2H5 + C2H5-2 <=> C2H6 + C2H4", + label = "C2H5-2 + C2H5 <=> C2H6 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (6.9e+13, 'cm^3/(mol*s)', '*|/', 1.1), - n = -0.35, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(6.9e+13,'cm^3/(mol*s)','*|/',1.1), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. C2H5 + i-C3H7 --> C3H6 + C2H6 @@ -239,18 +190,11 @@ index = 7, label = "C3H5 + C2H5 <=> C3H6 + C2H4", degeneracy = 6.0, - kinetics = Arrhenius( - A = (1.374e+14, 'cm^3/(mol*s)', '*|/', 3), - n = -0.35, - Ea = (-0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.374e+14,'cm^3/(mol*s)','*|/',3), n=-0.35, Ea=(-0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [93] Literature review.""", + shortDesc = """Tsang [93] Literature review.""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: C3H5 + iC3H7 --> C3H6 + C3H6 @@ -272,18 +216,11 @@ index = 8, label = "CH3O-2 + C2H5 <=> CH4O + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (8.67e+12, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.67e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH2OH + i-C3H7 --> C3H6 + CH3OH @@ -302,18 +239,11 @@ index = 9, label = "C2H5 + C3H7 <=> C3H8 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (6.33e+14, 'cm^3/(mol*s)', '*|/', 2), - n = -0.7, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(6.33e+14,'cm^3/(mol*s)','*|/',2), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. i-C3H7 + i-C3H7 --> C3H6 + C3H8 @@ -333,18 +263,11 @@ index = 10, label = "C2H5 + C4H9 <=> C4H10 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (8.58e+15, 'cm^3/(mol*s)', '*|/', 1.7), - n = -1.1, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.58e+15,'cm^3/(mol*s)','*|/',1.7), n=-1.1, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: t-C4H9 + i-C3H7 --> C3H6 + i-C4H10 @@ -365,18 +288,11 @@ index = 11, label = "C2H3-2 + C2H5 <=> C2H4-2 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (4.56e+14, 'cm^3/(mol*s)', '*|/', 1.5), - n = -0.7, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.56e+14,'cm^3/(mol*s)','*|/',1.5), n=-0.7, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. C2H3 + i-C3H7 --> C3H6 + C2H4 @@ -397,18 +313,11 @@ index = 12, label = "C2H + C2H5 <=> C2H2 + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (1.083e+13, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.083e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. C2H + i-C3H7 --> C3H6 + C2H2 @@ -427,18 +336,11 @@ index = 13, label = "HO + C2H5 <=> H2O + C2H4", degeneracy = 3.0, - kinetics = Arrhenius( - A = (7.23e+13, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(7.23e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. OH + i-C3H7 --> C3H6 + H2O @@ -457,18 +359,11 @@ index = 14, label = "H + CH3O-3 <=> H2 + CH2O-2", degeneracy = 3.0, - kinetics = Arrhenius( - A = (5.43e+13, 'cm^3/(mol*s)', '*|/', 3.16), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1000, 'K'), - ), + kinetics = Arrhenius(A=(5.43e+13,'cm^3/(mol*s)','*|/',3.16), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1000,'K')), rank = 10, - shortDesc = u"""Baulch et al [95] literature review.""", + shortDesc = """Baulch et al [95] literature review.""", longDesc = -u""" +""" [95] Baulch, D.L.; Cobos, C.J.; Cox, R.A.; Esser, C.; Frank, P.; Just, T.; Kerr, J.A.; Pilling, M.J.; Troe, J.; Walker, R.W.; Warnatz, J.; Journal of Physical and Chemical Reference Data (1992), 21(3), 411-734. pg.523: Discussion of evaluated data @@ -486,18 +381,11 @@ index = 15, label = "C3H7-2 + O2 <=> HO2 + C3H6-2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.833e+13, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (62.1324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (500, 'K'), - Tmax = (900, 'K'), - ), + kinetics = Arrhenius(A=(1.833e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(62.1324,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(900,'K')), rank = 10, - shortDesc = u"""[AJ] Miyoshi 2011 (Table 4, Node 'ss') dx.doi.org/10.1021/jp112152n""", + shortDesc = """[AJ] Miyoshi 2011 (Table 4, Node 'ss') dx.doi.org/10.1021/jp112152n""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review: n-C3H7 + O2 = HO2 + C3H6 @@ -522,18 +410,11 @@ index = 16, label = "CH2 + C3H7-2 <=> CH3 + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.62e+12, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.62e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH2_triplet + n-C3H7 --> C3H6 + CH3 @@ -554,18 +435,11 @@ index = 17, label = "C2H3S + C3H7-2 <=> C2H4S + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.438, 'cm^3/(mol*s)'), - n = 3.13, - Ea = (-15.2716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.438,'cm^3/(mol*s)'), n=3.13, Ea=(-15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3, 1dhr""", + shortDesc = """CAC calc CBS-QB3, 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: S_rad/OneDe;C/H2/Nd_Csrad """, ) @@ -574,18 +448,11 @@ index = 18, label = "H + C3H7-2 <=> H2 + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.62e+12, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.62e+12,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. H + n-C3H7 --> C3H6 + H2 @@ -604,18 +471,11 @@ index = 19, label = "C4H7 + C2H5S <=> C4H8 + C2H4S-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.526e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (-2.3012, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.526e+12,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Rough estimate based on 1/10 of #3026 in R_Recombination""", + shortDesc = """Rough estimate based on 1/10 of #3026 in R_Recombination""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH3 + n-C3H7 --> C3H6 + CH4 @@ -636,20 +496,13 @@ entry( index = 20, - label = "CH3_r1 + C3H7-2 <=> CH4 + C3H6-2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.3e+13, 'cm^3/(mol*s)', '*|/', 1.7), - n = -0.32, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH3-2 + C3H7-2 <=> CH4 + C3H6-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.3e+13,'cm^3/(mol*s)','*|/',1.7), n=-0.32, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH3 + n-C3H7 --> C3H6 + CH4 @@ -672,18 +525,11 @@ index = 21, label = "C3H7-2 + C2H5-2 <=> C2H6 + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.9e+12, 'cm^3/(mol*s)', '*|/', 1.4), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.9e+12,'cm^3/(mol*s)','*|/',1.4), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. C2H5 + n-C3H7 --> C3H6 + C2H6 @@ -706,18 +552,11 @@ index = 22, label = "C5H7 + C2H5S <=> C5H8 + C2H4S-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.88e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (1.50624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.88e+12,'cm^3/(mol*s)'), n=0, Ea=(1.50624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Rough estimate based on 1/10 of #3027 in R_Recombination""", + shortDesc = """Rough estimate based on 1/10 of #3027 in R_Recombination""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. C2H5 + n-C3H7 --> C3H6 + C2H6 @@ -740,18 +579,11 @@ index = 23, label = "C3H5 + C3H7-2 <=> C3H6 + C3H6-2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (5.8e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (-0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(5.8e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(-0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [93] Literature review.""", + shortDesc = """Tsang [93] Literature review.""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: C3H5 + nC3H7 --> C3H6 + C3H6 @@ -773,18 +605,11 @@ index = 24, label = "C2H3S + C4H9-2 <=> C2H4S + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.63e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (-2.3012, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.63e+11,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""VERY Rough estimate based on 1/10 of #3026 in R_Recombination""", + shortDesc = """VERY Rough estimate based on 1/10 of #3026 in R_Recombination""", longDesc = -u""" +""" Converted to training reaction from rate rule: S_rad/OneDe;C/H/NdNd_Csrad """, ) @@ -793,18 +618,11 @@ index = 25, label = "CH3O-2 + C3H7-2 <=> CH4O + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.64e+11, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.64e+11,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH2OH + n-C3H7 --> C3H6 + CH3OH @@ -824,18 +642,11 @@ index = 26, label = "C4H9-2 + CH3S <=> CH4S + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.63e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (-2.3012, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.63e+11,'cm^3/(mol*s)'), n=0, Ea=(-2.3012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Rough estimate based on 1/10 of #3026 in R_Recombination""", + shortDesc = """Rough estimate based on 1/10 of #3026 in R_Recombination""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. CH2OH + n-C3H7 --> C3H6 + CH3OH @@ -853,20 +664,13 @@ entry( index = 27, - label = "C3H7-2 + C3H7 <=> C3H8 + C3H6-2", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.13e+13, 'cm^3/(mol*s)', '*|/', 2), - n = -0.35, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "C3H7-3 + C3H7-4 <=> C3H8-2 + C3H6-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.13e+13,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. i-C3H7 + n-C3H7 --> C3H6 + C3H8 @@ -890,18 +694,11 @@ index = 28, label = "C3H7-2 + C4H9 <=> C4H10 + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.32e+14, 'cm^3/(mol*s)', '*|/', 2), - n = -0.75, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.32e+14,'cm^3/(mol*s)','*|/',2), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: t-C4H9 + n-C3H7 --> C3H6 + i-C4H10 @@ -923,18 +720,11 @@ index = 29, label = "C2H3-2 + C3H7-2 <=> C2H4-2 + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.42e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.42e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. C2H3 + n-C3H7 --> C3H6 + C2H4 @@ -953,18 +743,11 @@ index = 30, label = "HS2 + C5H9 <=> H2S2 + C5H8-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.288e+09, 'cm^3/(mol*s)'), - n = 1.19, - Ea = (2.13384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.288e+09,'cm^3/(mol*s)'), n=1.19, Ea=(2.13384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Very rough based on R_Recomb #491""", + shortDesc = """Very rough based on R_Recomb #491""", longDesc = -u""" +""" Converted to training reaction from rate rule: S_rad/NonDeS;C/H2/Nd_Csrad/H/Cd """, ) @@ -973,18 +756,11 @@ index = 31, label = "C2H + C3H7-2 <=> C2H2 + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.206e+13, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.206e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. C2H + n-C3H7 --> C3H6 + C2H2 @@ -1004,18 +780,11 @@ index = 32, label = "HS2 + CH3S-2 <=> H2S2 + CH2S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.44e+08, 'cm^3/(mol*s)'), - n = 1.19, - Ea = (2.13384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.44e+08,'cm^3/(mol*s)'), n=1.19, Ea=(2.13384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Very rough based on R_Recomb #491""", + shortDesc = """Very rough based on R_Recomb #491""", longDesc = -u""" +""" Converted to training reaction from rate rule: S_rad/NonDeS;S_Csrad """, ) @@ -1024,18 +793,11 @@ index = 33, label = "HO + C3H7-2 <=> H2O + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.82e+13, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.82e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review. OH + n-C3H7 --> C3H6 + H2O @@ -1054,18 +816,11 @@ index = 34, label = "C4H9-2 + O2 <=> HO2 + C4H8-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.4088e+10, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (600, 'K'), - Tmax = (1000, 'K'), - ), + kinetics = Arrhenius(A=(2.4088e+10,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(1000,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: O2 + iC4H9 --> iC4H8 + HO2 @@ -1088,18 +843,11 @@ index = 35, label = "C2H + C4H9-2 <=> C2H2 + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.03e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(6.03e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: C2H + i-C4H9 --> i-C4H8 + C2H2 @@ -1120,18 +868,11 @@ index = 36, label = "H + C4H9-2 <=> H2 + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.04e+11, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.04e+11,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: H + i-C4H9 --> i-C4H8 + H2 @@ -1151,20 +892,13 @@ entry( index = 37, - label = "CH3_r1 + C4H9-2 <=> CH4 + C4H8-2", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.02e+12, 'cm^3/(mol*s)', '*|/', 2), - n = -0.32, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH3-2 + C4H9-2 <=> CH4 + C4H8-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.02e+12,'cm^3/(mol*s)','*|/',2), n=-0.32, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: CH3 + i-C4H9 --> i-C4H8 + CH4 @@ -1184,18 +918,11 @@ index = 38, label = "C4H9-2 + C2H5-2 <=> C2H6 + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.43e+11, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.43e+11,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: C2H5 + i-C4H9 --> i-C4H8 + C2H6 @@ -1217,18 +944,11 @@ index = 39, label = "CH3O-2 + C4H9-2 <=> CH4O + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.41e+11, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.41e+11,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: CH2OH + i-C4H9 --> i-C4H8 + CH3OH @@ -1253,18 +973,11 @@ index = 40, label = "C3H5 + C4H9-2 <=> C3H6 + C4H8-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.566e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (-0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.566e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(-0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [93] Literature review.""", + shortDesc = """Tsang [93] Literature review.""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: C3H5 + iC4H9 --> iC4H8 + C3H6 @@ -1285,18 +998,11 @@ index = 41, label = "C4H9-2 + C3H7 <=> C3H8 + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.56e+13, 'cm^3/(mol*s)', '*|/', 2), - n = -0.35, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.56e+13,'cm^3/(mol*s)','*|/',2), n=-0.35, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: i-C3H7 + i-C4H9 --> i-C4H8 + C3H8 @@ -1318,20 +1024,13 @@ entry( index = 42, - label = "C4H9-2 + C4H9 <=> C4H10 + C4H8-2", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.08e+14, 'cm^3/(mol*s)', '*|/', 2), - n = -0.75, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "C4H9-3 + C4H9-4 <=> C4H10-2 + C4H8-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.08e+14,'cm^3/(mol*s)','*|/',2), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: t-C4H9 + i-C4H9 --> i-C4H8 + i-C4H10 @@ -1358,18 +1057,11 @@ index = 43, label = "C2H3-2 + C4H9-2 <=> C2H4-2 + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.43e+11, 'cm^3/(mol*s)', '*|/', 4), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.43e+11,'cm^3/(mol*s)','*|/',4), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: C2H3 + i-C4H9 --> i-C4H8 + C2H4 @@ -1388,18 +1080,11 @@ index = 44, label = "HO + C4H9-2 <=> H2O + C4H8-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.21e+13, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.21e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: OH + i-C4H9 --> i-C4H8 + H2O @@ -1419,18 +1104,11 @@ index = 45, label = "C3H5-2 + O2 <=> HO2 + C3H4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.2044e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (56.6932, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.2044e+12,'cm^3/(mol*s)'), n=0, Ea=(56.6932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [93] Literature review.""", + shortDesc = """Tsang [93] Literature review.""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: O2 + C3H5 --> H2C=C=CH2 + HO2 @@ -1457,20 +1135,13 @@ entry( index = 46, - label = "CH3_r1 + C3H5-2 <=> CH4 + C3H4", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.01e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH3-2 + C3H5-2 <=> CH4 + C3H4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.01e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""SSM estimate. Original value with 6 kcal barrier""", + shortDesc = """SSM estimate. Original value with 6 kcal barrier""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: CH3 + C3H5 --> H2C=C=CH2 + CH4 @@ -1498,18 +1169,11 @@ index = 47, label = "C3H5-2 + C2H5-2 <=> C2H6 + C3H4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.64e+11, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.64e+11,'cm^3/(mol*s)','*|/',2), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""SSM estimate. Original value with 6 kcal barrier""", + shortDesc = """SSM estimate. Original value with 6 kcal barrier""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: C2H5 + C3H5 --> H2C=C=CH2 + C2H6 @@ -1530,18 +1194,11 @@ index = 48, label = "C3H5 + C3H5-2 <=> C3H6 + C3H4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.686e+11, 'cm^3/(mol*s)', '*|/', 2.5), - n = 0, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.686e+11,'cm^3/(mol*s)','*|/',2.5), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""SSM estimate. Original value with 6 kcal barrier""", + shortDesc = """SSM estimate. Original value with 6 kcal barrier""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: C3H5 + C3H5 --> H2C=C=CH2 + C3H6 @@ -1562,18 +1219,11 @@ index = 49, label = "C3H5-2 + C3H7 <=> C3H8 + C3H4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.58e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.58e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""SSM estimate. Original value with 6 kcal barrier""", + shortDesc = """SSM estimate. Original value with 6 kcal barrier""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: iC3H7 + C3H5 --> H2C=C=CH2 + C3H8 @@ -1595,18 +1245,11 @@ index = 50, label = "C3H5-2 + C4H9 <=> C4H10 + C3H4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.89e+13, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.89e+13,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""SSM estimate. Original value with 6 kcal barrier""", + shortDesc = """SSM estimate. Original value with 6 kcal barrier""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: tC4H9 + C3H5 --> H2C=C=CH2 + iC4H10 @@ -1628,18 +1271,11 @@ index = 51, label = "C2H3-2 + C3H5-2 <=> C2H4-2 + C3H4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.41e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.41e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""SSM estimate. Original value with 6 kcal barrier""", + shortDesc = """SSM estimate. Original value with 6 kcal barrier""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: C2H3 + C3H5 --> H2C=C=CH2 + C2H4 @@ -1658,18 +1294,11 @@ index = 52, label = "HO + C3H5-2 <=> H2O + C3H4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.03e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(6.03e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""SSM estimate. Original value with 6 kcal barrier""", + shortDesc = """SSM estimate. Original value with 6 kcal barrier""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: OH + C3H5 --> H2C=C=CH2 + H2O @@ -1688,17 +1317,11 @@ index = 53, label = "CH3O + O2 <=> HO2 + CH2O", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.14418e+13, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - ), + kinetics = Arrhenius(A=(1.14418e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K')), rank = 10, - shortDesc = u"""Atkinson et al [98] literature review.""", + shortDesc = """Atkinson et al [98] literature review.""", longDesc = -u""" +""" [98] Atkinson, R.; Baulch, D.L.; Cox, R.A.; Crowley, J.N.; Hampson, R.F., Jr.; Kerr, J.A.; Rossi, M.J.; Troe, J. "Summary of Evaluated Kinetic and Photochemical Data for Atmospheric Chemistry,", 2001. Literature review: CH3CHOH + O2 --> CH3CHO + HO2 @@ -1718,17 +1341,11 @@ index = 54, label = "CH3O + O <=> HO-2 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.04e+13, 'cm^3/(mol*s)', '+|-', 3.01e+13), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - ), + kinetics = Arrhenius(A=(9.04e+13,'cm^3/(mol*s)','+|-',3.01e+13), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K')), rank = 6, - shortDesc = u"""Grotheer et al [189].""", + shortDesc = """Grotheer et al [189].""", longDesc = -u""" +""" [189] Grotheer, H.; Riekert, G.; Walter, D.; Just, T. Symp. Int. Combust. Proc. 1989, 22, 963. Absolute value measured directly. Excitation: discharge, analysis: mass spectroscopy. Original uncertainty 3.0E+13 @@ -1750,18 +1367,11 @@ index = 55, label = "CH2 + CH3O <=> CH3 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.21e+12, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.21e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: CH2 + CH2OH --> CH3 + CH2O @@ -1781,17 +1391,11 @@ index = 56, label = "H + CH3O <=> H2 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2e+13, 'cm^3/(mol*s)', '+|-', 1e+13), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (295, 'K'), - ), + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)','+|-',1e+13), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K')), rank = 10, - shortDesc = u"""Edelbuttel-Einhaus et al [190].""", + shortDesc = """Edelbuttel-Einhaus et al [190].""", longDesc = -u""" +""" [190] Edelbuttel-Einhaus, J.; Hoyermann, K.; Rohde, G.; Seeba, J. Symp. Int. Combust. Proc. 1992, 22, 661. Data derived from fitting to a complex mechanism. Excitation: discharge, analysis: mass spectroscopy. Original uncertainty 1.0E+13 @@ -1814,19 +1418,13 @@ entry( index = 57, - label = "CH3O + CH3_r1 <=> CH4 + CH2O", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.49e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - ), + label = "CH3O + CH3-2 <=> CH4 + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.49e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K')), rank = 6, - shortDesc = u"""Pagsberg et al [191].""", + shortDesc = """Pagsberg et al [191].""", longDesc = -u""" +""" [191] Pagsberg, P.; Munk, J.; Sillesen, A.; Anastasi, C. Chem. Phys. Lett. 1988, 146, 375. Absolute value measured directly. Excitatio: electron beam, analysis: Vis-UV absorption. @@ -1852,18 +1450,11 @@ index = 58, label = "CH3O + C2H5-2 <=> C2H6 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.41e+12, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.41e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: C2H5 + CH2OH --> C2H6 + CH2O @@ -1884,18 +1475,11 @@ index = 59, label = "CH3O + C3H5 <=> C3H6 + CH2O", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.62e+13, 'cm^3/(mol*s)', '*|/', 2.5), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.62e+13,'cm^3/(mol*s)','*|/',2.5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [93] Literature review.""", + shortDesc = """Tsang [93] Literature review.""", longDesc = -u""" +""" [93] Tsang, W.; Journal of Physical and Chemical Reference Data (1991), 20(2), 221-273. Literature review: C3H5 + CH2OH --> CH2O + C3H6 @@ -1916,18 +1500,11 @@ index = 60, label = "CH3O-2 + CH3O <=> CH4O + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.82e+12, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.82e+12,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: CH2OH + CH2OH --> CH3OH + CH2O @@ -1955,18 +1532,11 @@ index = 61, label = "CH3O + C3H7 <=> C3H8 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.35e+12, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.35e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [91] Literature review.""", + shortDesc = """Tsang [91] Literature review.""", longDesc = -u""" +""" [91] Tsang, W.; Journal of Physical and Chemical Reference Data (1988), 17(2), 887-951. Literature review: CH2OH + i-C3H7 = C3H8 + CH2O @@ -1985,18 +1555,11 @@ index = 62, label = "CH3O + C4H9 <=> C4H10 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.47e+14, 'cm^3/(mol*s)', '*|/', 3), - n = -0.75, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.47e+14,'cm^3/(mol*s)','*|/',3), n=-0.75, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [92] Literature review.""", + shortDesc = """Tsang [92] Literature review.""", longDesc = -u""" +""" [92] Tsang, W.; Journal of Physical and Chemical Reference Data (1990), 19(1), 1-68. Literature review: t-C4H9 + CH2OH = CH2O + i-C4H10 @@ -2020,18 +1583,11 @@ index = 63, label = "CH3O + C2H3-2 <=> C2H4-2 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.01e+13, 'cm^3/(mol*s)', '*|/', 2.5), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.01e+13,'cm^3/(mol*s)','*|/',2.5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: CH2OH + C2H3 --> C2H4 + CH2O @@ -2052,18 +1608,11 @@ index = 64, label = "CHO + CH3O <=> CH2O-3 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.81e+14, 'cm^3/(mol*s)', '*|/', 3), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.81e+14,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: HCO + CH2OH --> CH2O + CH2O @@ -2084,18 +1633,11 @@ index = 65, label = "HO + CH3O <=> H2O + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.41e+13, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.41e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: OH + CH2OH --> H2O + CH2O @@ -2114,20 +1656,13 @@ entry( index = 66, - label = "CH3O + CH3O-4 <=> CH4O-2 + CH2O", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.41e+13, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH3O-2 + CH3O-3 <=> CH4O + CH2O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.41e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: CH3O + CH2OH --> CH3OH + CH2O @@ -2150,18 +1685,11 @@ index = 67, label = "HO2-2 + CH3O <=> H2O2 + CH2O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.21e+13, 'cm^3/(mol*s)', '*|/', 2), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.21e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang [90] Literature review.""", + shortDesc = """Tsang [90] Literature review.""", longDesc = -u""" +""" [90] Tsang, W.; Journal of Physical and Chemical Reference Data (1987), 16(3), 471-508. Literature review: HO2 + CH2OH --> CH3OH + H2O2 @@ -2182,17 +1710,11 @@ index = 68, label = "CH3S + CH3S-3 <=> CH4S + CH2S-2", degeneracy = 3.0, - kinetics = Arrhenius( - A = (2.937e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - ), + kinetics = Arrhenius(A=(2.937e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K')), rank = 10, - shortDesc = u"""Tycholiz et al [A].""", + shortDesc = """Tycholiz et al [A].""", longDesc = -u""" +""" Converted to training reaction from rate rule: S_rad/NonDeC;Cmethyl_Srad """, ) @@ -2201,18 +1723,11 @@ index = 69, label = "C2H5S-2 + C3H7-2 <=> C2H6S + C3H6-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6.74e-06, 'cm^3/(mol*s)'), - n = 4.35, - Ea = (4.76976, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.74e-06,'cm^3/(mol*s)'), n=4.35, Ea=(4.76976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: C_rad/H/CsS;C/H2/Nd_Csrad """, ) @@ -2221,18 +1736,11 @@ index = 70, label = "C4H7-2 + O2 <=> HO2 + C4H6", degeneracy = 6.0, - kinetics = Arrhenius( - A = (4.338e+13, 'cm^3/(mol*s)', '*|/', 10), - n = 0, - Ea = (92.048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(4.338e+13,'cm^3/(mol*s)','*|/',10), n=0, Ea=(92.048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, - shortDesc = u"""S.S. Merchant estimate""", + shortDesc = """S.S. Merchant estimate""", longDesc = -u""" +""" SSM estimate based on Miyoshi rate rule for secondary carbon in dx.doi.org/10.1021/jp112152n, modified to account for allylic stability (+7 kcal) @@ -2244,18 +1752,11 @@ index = 71, label = "C4H7-3 + O2 <=> HO2 + C4H6-2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (4e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Estimated value, AG Vandeputte""", + shortDesc = """Estimated value, AG Vandeputte""", longDesc = -u""" +""" Converted to training reaction from rate rule: O2b;C/H2/De_Csrad """, ) @@ -2264,18 +1765,11 @@ index = 72, label = "C3H7-2 + O2 <=> HO2 + C3H6-2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (4e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Estimated value, AG Vandeputte""", + shortDesc = """Estimated value, AG Vandeputte""", longDesc = -u""" +""" Converted to training reaction from rate rule: O2b;C/H2/Nd_Rrad """, ) @@ -2284,18 +1778,11 @@ index = 73, label = "C4H7-3 + O2 <=> HO2 + C4H6-2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (4e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Estimated value, AG Vandeputte""", + shortDesc = """Estimated value, AG Vandeputte""", longDesc = -u""" +""" Converted to training reaction from rate rule: O2b;C/H2/De_Rrad """, ) @@ -2304,18 +1791,11 @@ index = 74, label = "C4H9-2 + O2 <=> HO2 + C4H8-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Estimated value, AG Vandeputte""", + shortDesc = """Estimated value, AG Vandeputte""", longDesc = -u""" +""" Converted to training reaction from rate rule: O2b;C/H/NdNd_Rrad """, ) @@ -2324,18 +1804,11 @@ index = 75, label = "C5H9-2 + O2 <=> HO2 + C5H8-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Estimated value, AG Vandeputte""", + shortDesc = """Estimated value, AG Vandeputte""", longDesc = -u""" +""" Converted to training reaction from rate rule: O2b;C/H/NdDe_Rrad """, ) @@ -2344,18 +1817,11 @@ index = 76, label = "C6H9 + O2 <=> HO2 + C6H8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2e+10,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Estimated value, AG Vandeputte""", + shortDesc = """Estimated value, AG Vandeputte""", longDesc = -u""" +""" Converted to training reaction from rate rule: O2b;C/H/DeDe_Rrad """, ) @@ -2364,18 +1830,11 @@ index = 77, label = "HO2-3 + H2N <=> H3N + O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (920000, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2 + HO2 = NH3 + O2 (B&D #14d) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Degeneracy not recalculated @@ -2388,18 +1847,11 @@ index = 78, label = "HN2 + O2 <=> HO2 + N2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.4e+12, 'cm^3/(mol*s)'), - n = -0.34, - Ea = (0.6276, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+12,'cm^3/(mol*s)'), n=-0.34, Ea=(0.6276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NNH + O2 = N2 + HO2 (B&D #28b1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O2b;N3d/H_d_Nrad @@ -2410,18 +1862,11 @@ index = 79, label = "H + HN2 <=> H2 + N2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.4e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NNH + H = N2 + H2 (B&D #28c) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;N3d/H_d_Nrad @@ -2432,18 +1877,11 @@ index = 80, label = "HO + HN2 <=> H2O + N2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.2e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NNH + OH = N2 + H2O (B&D #28d2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;N3d/H_d_Nrad @@ -2454,18 +1892,11 @@ index = 81, label = "HN2 + O <=> HO-2 + N2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.7e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NNH + O = N2 + OH (B&D #28e2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;N3d/H_d_Nrad @@ -2476,18 +1907,11 @@ index = 82, label = "H2N + HN2 <=> H3N + N2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (920000, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NNH + NH2 = N2 + NH3 (B&D #28f) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: NH2_rad;N3d/H_d_Nrad @@ -2498,18 +1922,11 @@ index = 83, label = "HO2-2 + HN2 <=> H2O2 + N2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NNH + HO2 = N2 + H2O2 (B&D #28g1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_rad/NonDeO;N3d/H_d_Nrad @@ -2520,18 +1937,11 @@ index = 84, label = "HN2 + NO <=> HNO + N2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.2e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NNH + NO = N2 + HNO (B&D #28h) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3d_rad/O;N3d/H_d_Nrad @@ -2540,20 +1950,13 @@ entry( index = 85, - label = "H + H2N2 <=> H2 + HN2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.6e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "H + H2N2 <=> H2 + HN2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2NN + H = NNH + H2 (B&D #30c2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;N3s/H2_s_Nbirad @@ -2562,20 +1965,13 @@ entry( index = 86, - label = "H2N2 + O <=> HO-2 + HN2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (6.6e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "H2N2 + O <=> HO-2 + HN2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2NN + O = NNH + OH (B&D #30d2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;N3s/H2_s_Nbirad @@ -2584,20 +1980,13 @@ entry( index = 87, - label = "HO + H2N2 <=> H2O + HN2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.8e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "HO + H2N2 <=> H2O + HN2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2NN + OH = NNH + H2O (B&D #30e2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;N3s/H2_s_Nbirad @@ -2606,20 +1995,13 @@ entry( index = 88, - label = "H2N2 + CH3_r1 <=> CH4 + HN2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.2e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "H2N2 + CH3-2 <=> CH4 + HN2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2NN + CH3 = NNH + CH4 (B&D #30f3) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;N3s/H2_s_Nbirad @@ -2628,20 +2010,13 @@ entry( index = 89, - label = "H2N + H2N2 <=> H3N + HN2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.6e+06, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "H2N + H2N2 <=> H3N + HN2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2NN + NH2 = NNH + NH3 (B&D #30g2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: NH2_rad;N3s/H2_s_Nbirad @@ -2650,20 +2025,13 @@ entry( index = 90, - label = "HO2-2 + H2N2 <=> H2O2 + HN2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (58000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "HO2-2 + H2N2 <=> H2O2 + HN2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(58000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2NN + HO2 = NNH + H2O2 (B&D #30h2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_rad/NonDeO;N3s/H2_s_Nbirad @@ -2674,18 +2042,11 @@ index = 91, label = "H + H3N2 <=> H2 + H2N2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.8e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.8e+08,'cm^3/(mol*s)'), n=1.5, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H3 + H = N2H2 + H2 (B&D #31b) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;N3s/H2_s_Nrad @@ -2696,18 +2057,11 @@ index = 92, label = "H3N2 + O <=> HO-2 + H2N2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.4e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-2.7196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H3 + O = N2H2 + OH (B&D #31c3) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;N3s/H2_s_Nrad @@ -2718,18 +2072,11 @@ index = 93, label = "HO + H3N2 <=> H2O + H2N2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.4e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H3 + OH = N2H2 + H2O (B&D #31d1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;N3s/H2_s_Nrad @@ -2738,20 +2085,13 @@ entry( index = 94, - label = "H3N2 + CH3_r1 <=> CH4 + H2N2-2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.64e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (7.61488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "H3N2 + CH3-2 <=> CH4 + H2N2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.64e+06,'cm^3/(mol*s)'), n=1.87, Ea=(7.61488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H3 + CH3 = N2H2 + CH4 (B&D #31e1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;N3s/H2_s_Nrad @@ -2762,18 +2102,11 @@ index = 95, label = "H2N + H3N2 <=> H3N + H2N2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.2e+05, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H3 + NH2 = N2H2 + NH3 (B&D #31f1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: NH2_rad;N3s/H2_s_Nrad @@ -2784,18 +2117,11 @@ index = 96, label = "HO2-2 + H3N2 <=> H2O2 + H2N2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (58000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(58000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H3 + HO2 = N2H2 + H2O2 (B&D #31g2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_rad/NonDeO;N3s/H2_s_Nrad @@ -2806,18 +2132,11 @@ index = 97, label = "HO2-3 + H3N2-2 <=> H4N2 + O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (920000, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (8.91192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(8.91192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H3 + HO2 = N2H4 + O2 (B&D #31g3) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Degeneracy not recalculated @@ -2830,18 +2149,11 @@ index = 98, label = "H + H2NO <=> H2 + HNO-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.6e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (6.52704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(6.52704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2O + H = HNO + H2 (B&D #37c2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;N3s/H2_s_Orad @@ -2852,18 +2164,11 @@ index = 99, label = "H2NO + O <=> HO-2 + HNO-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6.6e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (2.05016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(6.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(2.05016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2O + O = HNO + OH (B&D #37d) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;N3s/H2_s_Orad @@ -2874,18 +2179,11 @@ index = 100, label = "HO + H2NO <=> H2O + HNO-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.8e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2O + OH = HNO + H2O (B&D #37e) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;N3s/H2_s_Orad @@ -2894,20 +2192,13 @@ entry( index = 101, - label = "H2NO + CH3_r1 <=> CH4 + HNO-2", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.2e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (12.3846, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "H2NO + CH3-2 <=> CH4 + HNO-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(12.3846,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2O + CH3 = CH4 + HNO (B&D #37f2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;N3s/H2_s_Orad @@ -2918,18 +2209,11 @@ index = 102, label = "H2N + H2NO <=> H3N + HNO-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.6e+06, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2O + NH2 = HNO + NH3 (B&D #37g) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: NH2_rad;N3s/H2_s_Orad @@ -2940,18 +2224,11 @@ index = 103, label = "HO2-2 + H2NO <=> H2O2 + HNO-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (58000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(58000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2O + HO2 = HNO + H2O2 (B&D #37h1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_rad/NonDeO;N3s/H2_s_Orad @@ -2962,18 +2239,11 @@ index = 104, label = "HO2-3 + H2NO-2 <=> H3NO + O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(29000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: NH2O + HO2 = NH2OH + O2 (B&D #37h2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Degeneracy not recalculated @@ -2986,18 +2256,11 @@ index = 105, label = "H + H2NO-3 <=> H2 + HNO-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.8e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (1.58992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.8e+08,'cm^3/(mol*s)'), n=1.5, Ea=(1.58992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HNOH + H = HNO + H2 (B&D #38b2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;O_Nrad @@ -3008,18 +2271,11 @@ index = 106, label = "H2NO-3 + O <=> HO-2 + HNO-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.3e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-1.50624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.3e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-1.50624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HNOH + O = HNO + OH (B&D #38c2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;O_Nrad @@ -3030,18 +2286,11 @@ index = 107, label = "HO + H2NO-3 <=> H2O + HNO-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.4e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HNOH + OH = HNO + H2O (B&D #38d) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;O_Nrad @@ -3050,20 +2299,13 @@ entry( index = 108, - label = "H2NO-3 + CH3_r1 <=> CH4 + HNO-3", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.6e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "H2NO-3 + CH3-2 <=> CH4 + HNO-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+06,'cm^3/(mol*s)'), n=1.87, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HNOH + CH3 = CH4 + HNO (B&D #38e2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;O_Nrad @@ -3074,18 +2316,11 @@ index = 109, label = "H2N + H2NO-3 <=> H3N + HNO-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.8e+06, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.8e+06,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HNOH + NH2 = HNO + NH3 (B&D #38f3) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: NH2_rad;O_Nrad @@ -3096,18 +2331,11 @@ index = 110, label = "HO2-2 + H2NO-3 <=> H2O2 + HNO-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29400, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(29400,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HNOH + HO2 = HNO + H2O2 (B&D #38g2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_rad/NonDeO;O_Nrad @@ -3118,18 +2346,11 @@ index = 111, label = "HO2-3 + H2NO-4 <=> H3NO-2 + O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(29000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HNOH + HO2 = NH2OH + O2 (B&D #38g3) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Degeneracy not recalculated @@ -3142,18 +2363,11 @@ index = 112, label = "HO2-2 + CH2N <=> H2O2 + CHN", degeneracy = 2.0, - kinetics = Arrhenius( - A = (28000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.73624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.73624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CN + HO2 = HCN + H2O2 (B&D #45b1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_rad/NonDeO;Cds/H2_d_N3rad @@ -3164,18 +2378,11 @@ index = 113, label = "HO2-3 + CH2N-2 <=> CH3N + O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.69, - Ea = (-6.73624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.73624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CN + HO2 = H2CNH + O2 (B&D #45b2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Degeneracy not recalculated @@ -3186,20 +2393,13 @@ entry( index = 114, - label = "CH3_r1 + CH2N <=> CH4 + CHN", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.62e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (-4.64424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH3-2 + CH2N <=> CH4 + CHN", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.62e+06,'cm^3/(mol*s)'), n=1.87, Ea=(-4.64424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CN + CH3 = HCN + CH4 (B&D #45d) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;Cds/H2_d_N3rad @@ -3210,18 +2410,11 @@ index = 115, label = "HO + CH2N <=> H2O + CHN", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.4e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CN + OH = HCN + H2O (B&D #45e2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;Cds/H2_d_N3rad @@ -3232,18 +2425,11 @@ index = 116, label = "H + CH2N <=> H2 + CHN", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.8e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.8e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CN + H = HCN + H2 (B&D #45g) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;Cds/H2_d_N3rad @@ -3254,18 +2440,11 @@ index = 117, label = "H2N + CH2N <=> H3N + CHN", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.84e+06, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.84e+06,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CN + NH2 = HCN + NH3 (B&D #45h) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: NH2_rad;Cds/H2_d_N3rad @@ -3276,18 +2455,11 @@ index = 118, label = "CH2N + O <=> HO-2 + CHN", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.4e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CN + O = HCN + OH (B&D #45i1) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;Cds/H2_d_N3rad @@ -3298,18 +2470,11 @@ index = 119, label = "H + CH2N-3 <=> H2 + CHN-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.4e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCNH + H = HCN + H2 (B&D #46a2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;N3d/H_d_Crad @@ -3320,18 +2485,11 @@ index = 120, label = "CH2N-3 + O <=> HO-2 + CHN-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.7e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCNH + O = HCN + OH (B&D #46b2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;N3d/H_d_Crad @@ -3342,18 +2500,11 @@ index = 121, label = "HO + CH2N-3 <=> H2O + CHN-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.2e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCNH + OH = HCN + H2O (B&D #46c) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;N3d/H_d_Crad @@ -3362,20 +2513,13 @@ entry( index = 122, - label = "CH2N-3 + CH3_r1 <=> CH4 + CHN-2", - degeneracy = 1.0, - kinetics = Arrhenius( - A = (820000, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (-4.64424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH2N-3 + CH3-2 <=> CH4 + CHN-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(820000,'cm^3/(mol*s)'), n=1.87, Ea=(-4.64424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCNH + CH3 = HCN + CH4 (B&D #46d) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;N3d/H_d_Crad @@ -3386,18 +2530,11 @@ index = 123, label = "H + CH4N <=> H2 + CH3N-2", degeneracy = 3.0, - kinetics = Arrhenius( - A = (2.16e+09, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2.16e+09,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH3NH + H = H2CNH + H2 (B&D #49b) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;Cmethyl_Nrad @@ -3408,18 +2545,11 @@ index = 124, label = "CH4N + O <=> HO-2 + CH3N-2", degeneracy = 3.0, - kinetics = Arrhenius( - A = (1.5e+09, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+09,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH3NH + O = H2CNH + OH (B&D #49c) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;Cmethyl_Nrad @@ -3430,18 +2560,11 @@ index = 125, label = "HO + CH4N <=> H2O + CH3N-2", degeneracy = 3.0, - kinetics = Arrhenius( - A = (1.08e+07, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH3NH + OH = H2CNH + H2O (B&D #49d) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;Cmethyl_Nrad @@ -3450,20 +2573,13 @@ entry( index = 126, - label = "CH4N + CH3_r1 <=> CH4 + CH3N-2", + label = "CH4N + CH3-2 <=> CH4 + CH3N-2", degeneracy = 3.0, - kinetics = Arrhenius( - A = (7.2e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (-4.64424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(7.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(-4.64424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH3NH + CH3 = H2CNH + CH4 (B&D #49e) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;Cmethyl_Nrad @@ -3474,18 +2590,11 @@ index = 127, label = "H + CH4N-2 <=> H2 + CH3N-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NH2 + H = H2CNH + H2 (B&D #50b) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: H_rad;N3s/H2_s_Cssrad @@ -3496,18 +2605,11 @@ index = 128, label = "CH4N-2 + O <=> HO-2 + CH3N-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6.6e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(6.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NH2 + O = H2CNH + OH (B&D #50c2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_atom_triplet;N3s/H2_s_Cssrad @@ -3518,18 +2620,11 @@ index = 129, label = "HO + CH4N-2 <=> H2O + CH3N-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.8e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NH2 + OH = H2CNH + H2O (B&D #50d2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: O_pri_rad;N3s/H2_s_Cssrad @@ -3538,20 +2633,13 @@ entry( index = 130, - label = "CH3_r1 + CH4N-2 <=> CH4 + CH3N-3", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.2e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (-2.63592, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH3-2 + CH4N-2 <=> CH4 + CH3N-3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(-2.63592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NH2 + CH3 = H2CNH + CH4 (B&D #50e2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: C_methyl;N3s/H2_s_Cssrad @@ -3562,18 +2650,11 @@ index = 131, label = "H + CH2NO <=> H2 + CHNO", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.6e+08, 'cm^3/(mol*s)'), - n = 1.5, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NO + H = HCNO + H2 The reacting structures are CH2=[N.+][O-] + R = [CH]#[N+][O-] + RH (D&B #57c2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", @@ -3586,18 +2667,11 @@ index = 132, label = "HO + CH2NO <=> H2O + CHNO", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.8e+06, 'cm^3/(mol*s)'), - n = 2, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NO + OH = HCNO + H2O (D&B #57e2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", @@ -3607,20 +2681,13 @@ entry( index = 133, - label = "CH3_r1 + CH2NO <=> CH4 + CHNO", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.2e+06, 'cm^3/(mol*s)'), - n = 1.87, - Ea = (-4.64424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + label = "CH3-2 + CH2NO <=> CH4 + CHNO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(-4.64424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NO + CH3 = HCNO + CH4 (D&B #57f2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", @@ -3632,18 +2699,11 @@ index = 134, label = "H2N + CH2NO <=> H3N + CHNO", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.6e+06, 'cm^3/(mol*s)'), - n = 1.94, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2NO + NH2 = HCNO + NH3 (D&B #57g2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", @@ -3655,18 +2715,11 @@ index = 135, label = "C5H7 + C4H7-2 <=> C5H8 + C4H6", degeneracy = 3.0, - kinetics = Arrhenius( - A = (1.5e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 11, - shortDesc = u"""Estimated by S.S. Merchant""", + shortDesc = """Estimated by S.S. Merchant""", longDesc = -u""" +""" Estimating rate coefficient for cyclopentadienyl radical + butadieneyl radical NIST estimate for allyl + iso-butyl is 8E+11 at 1000 K, however in our system the butadieneyl radical is also resonance stabilized and it will be harder to break the bond to give butadiene + cyclopentadiene. Currently estimate it to be a factor of 5 slower. @@ -3679,7 +2732,7 @@ index = 136, label = "C6H5 + C6H5-2 <=> C6H6 + C6H4", degeneracy = 2.0, - kinetics = Arrhenius(A=(1350, 'cm^3/(mol*s)'), n=2.7, Ea=(-4.403, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.7, Ea=(-4.403,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Tranter, R. S.', 'Klippenstein, S. J.', 'Harding, L. B.', 'Giri, B. R.', 'Yang, X.', 'Kiefer, J. H.'], title = 'Experimental and Theoretical Investigation of the Self-Reaction of Phenyl Radicals', @@ -3691,8 +2744,1441 @@ referenceType = "theory", rank = 3, longDesc = -u""" +""" CASPT2(2e,2o)/cc-pvdz (VRC-TST) """, ) +entry( + index = 137, + label = "C2H3F2 + O2 <=> C2H2F2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-7800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 138, + label = "C2H4F + O2 <=> C2H3F + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-7800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 139, + label = "C2H3F2-2 + O2 <=> C2H2F2-2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 140, + label = "C2H2F3 + O2 <=> C2HF3 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+09,'cm^3/(mol*s)'), n=0, Ea=(-7800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 141, + label = "C2H3F2-3 + O2 <=> C2H2F2-3 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-7800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 142, + label = "C2H2F3-2 + O2 <=> C2HF3-2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+09,'cm^3/(mol*s)'), n=0, Ea=(-7800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 143, + label = "C2HF4 + O2 <=> C2F4 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+09,'cm^3/(mol*s)'), n=0, Ea=(-7800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 144, + label = "C2H4F + HO <=> C2H3F + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 145, + label = "C2H3F2-3 + HO <=> C2H2F2-3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.4e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 146, + label = "C2H4F-2 + HO <=> C2H3F-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 147, + label = "C2H3F2-2 + HO <=> C2H2F2-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.4e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 148, + label = "C2H2F3-2 + HO <=> C2HF3-2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 149, + label = "C2H3F2 + HO <=> C2H2F2 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.6e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 150, + label = "C2H2F3 + HO <=> C2HF3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.4e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 151, + label = "C2HF4 + HO <=> C2F4 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 152, + label = "C2H4F + CH3-2 <=> C2H3F + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 153, + label = "C2H3F2-3 + CH3-2 <=> C2H2F2-3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+12,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 154, + label = "C2H4F-2 + CH3-2 <=> C2H3F-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.95e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 155, + label = "C2H3F2-2 + CH3-2 <=> C2H2F2-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 156, + label = "C2H2F3-2 + CH3-2 <=> C2HF3-2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+12,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 157, + label = "C2H3F2 + CH3-2 <=> C2H2F2 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.95e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 158, + label = "C2H2F3 + CH3-2 <=> C2HF3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 159, + label = "C2HF4 + CH3-2 <=> C2F4 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+12,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 160, + label = "C2H4F-2 + HO2-2 <=> C2H3F-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 161, + label = "C2H3F2 + HO2-2 <=> C2H2F2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 162, + label = "C2H4F + HO2-2 <=> C2H3F + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 163, + label = "C2H3F2-2 + HO2-2 <=> C2H2F2-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 164, + label = "C2H2F3 + HO2-2 <=> C2HF3 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 165, + label = "C2H3F2-3 + HO2-2 <=> C2H2F2-3 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 166, + label = "C2H2F3-2 + HO2-2 <=> C2HF3-2 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 167, + label = "C2HF4 + HO2-2 <=> C2F4 + H2O2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 168, + label = "CH3O + F <=> CH2O + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 169, + label = "C2H3 + F <=> C2H2-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 170, + label = "C3H2F3 + O2 <=> C3HF3 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(23900,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 171, + label = "C3H2F3 + H <=> C3HF3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 172, + label = "C3H2F3 + O <=> C3HF3 + HO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(2390,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 173, + label = "C3H2F3 + HO <=> C3HF3 + H2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(4780,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 174, + label = "C3H2F3 + CH3-2 <=> C3HF3 + CH4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 175, + label = "C3H2F3 + F <=> C3HF3 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 176, + label = "C3H2F3 + CF3 <=> CHF3 + C3HF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 177, + label = "C2H3O + CF3 <=> C2H2O + CHF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 178, + label = "C2H3O + F <=> C2H2O + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 179, + label = "C3HF4 + O2 <=> HO2 + C3F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(17000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 180, + label = "C3HF4-2 + O2 <=> HO2 + C3F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(18500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 181, + label = "C3HF4 + H <=> H2 + C3F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 182, + label = "C3HF4-2 + H <=> H2 + C3F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 183, + label = "C3HF4 + HO <=> H2O + C3F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 184, + label = "C3HF4-2 + HO <=> H2O + C3F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 185, + label = "C3HF4 + CH3-2 <=> CH4 + C3F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(2000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 186, + label = "C3HF4-2 + CH3-2 <=> CH4 + C3F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+12,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 187, + label = "C3HF4 + CF3 <=> CHF3 + C3F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+12,'cm^3/(mol*s)'), n=0, Ea=(1000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 188, + label = "C3HF4-2 + CF3 <=> CHF3 + C3F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(2000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 189, + label = "C3HF4 + F <=> FH + C3F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(1000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 190, + label = "C3HF4-2 + F <=> FH + C3F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(1000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 191, + label = "C2H4F-2 + O2 <=> C2H3F-2 + HO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-7800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 192, + label = "H + C2H3F2 <=> C2H2F2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 193, + label = "H + C2H3F2-3 <=> C2H2F2-3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 194, + label = "O + C2H3F2 <=> C2H2F2 + HO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 195, + label = "O + C2H3F2-3 <=> C2H2F2-3 + HO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 196, + label = "F + C2H3F2 <=> C2H2F2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 197, + label = "F + C2H3F2-3 <=> C2H2F2-3 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 198, + label = "C2H4F-2 + O2 <=> HO2 + C2H3F-2", + degeneracy = 6.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CHF + O2 <=> CH2:CHF + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CHF + O2 <=> CH2:CHF + HO2 +""", +) + +entry( + index = 199, + label = "C2H3F2 + O2 <=> HO2 + C2H2F2", + degeneracy = 6.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CF2 + O2 <=> CH2:CF2 + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CF2 + O2 <=> CH2:CF2 + HO2 +""", +) + +entry( + index = 200, + label = "C2H4F + O2 <=> HO2 + C2H3F", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CH2 + O2 <=> CH2:CHF + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CH2 + O2 <=> CH2:CHF + HO2 +""", +) + +entry( + index = 201, + label = "C2H3F2-2 + O2 <=> HO2 + C2H2F2-2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CHF + O2 <=> CHF:CHF[Z] + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CHF + O2 <=> CHF:CHF[Z] + HO2 +""", +) + +entry( + index = 202, + label = "C2H2F3 + O2 <=> HO2 + C2HF3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CF2 + O2 <=> CHF:CF2 + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CF2 + O2 <=> CHF:CF2 + HO2 +""", +) + +entry( + index = 203, + label = "C2H3F2-3 + O2 <=> HO2 + C2H2F2-3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CH2 + O2 <=> CH2:CF2 + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CH2 + O2 <=> CH2:CF2 + HO2 +""", +) + +entry( + index = 204, + label = "C2H2F3-2 + O2 <=> HO2 + C2HF3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CHF + O2 <=> CHF:CF2 + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CHF + O2 <=> CHF:CF2 + HO2 +""", +) + +entry( + index = 205, + label = "C2HF4 + O2 <=> HO2 + C2F4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.56e+19,'cm^3/(mol*s)'), n=-2.77, Ea=(1977,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CF2 + O2 <=> CF2:CF2 + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CF2 + O2 <=> CF2:CF2 + HO2 +""", +) + +entry( + index = 206, + label = "C2H4F + HO <=> H2O + C2H3F", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6.6e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CH2 + OH <=> CH2:CHF + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CH2 + OH <=> CH2:CHF + H2O +""", +) + +entry( + index = 207, + label = "C2H3F2-3 + HO <=> H2O + C2H2F2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.4e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CH2 + OH <=> CH2:CF2 + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CH2 + OH <=> CH2:CF2 + H2O +""", +) + +entry( + index = 208, + label = "C2H4F-2 + HO <=> H2O + C2H3F-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(6.6e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CHF + OH <=> CH2:CHF + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CHF + OH <=> CH2:CHF + H2O +""", +) + +entry( + index = 209, + label = "C2H3F2-2 + HO <=> H2O + C2H2F2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.4e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CHF + OH <=> CHF:CHF[Z] + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CHF + OH <=> CHF:CHF[Z] + H2O +""", +) + +entry( + index = 210, + label = "C2H2F3-2 + HO <=> H2O + C2HF3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CHF + OH <=> CHF:CF2 + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CHF + OH <=> CHF:CF2 + H2O +""", +) + +entry( + index = 211, + label = "C2H3F2 + HO <=> H2O + C2H2F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(6.6e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CF2 + OH <=> CH2:CF2 + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CF2 + OH <=> CH2:CF2 + H2O +""", +) + +entry( + index = 212, + label = "C2H2F3 + HO <=> H2O + C2HF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.4e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CF2 + OH <=> CHF:CF2 + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CF2 + OH <=> CHF:CF2 + H2O +""", +) + +entry( + index = 213, + label = "C2H4F + CH3-2 <=> CH4 + C2H3F", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CH2 + CH3 <=> CH2:CHF + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CH2 + CH3 <=> CH2:CHF + CH4 +""", +) + +entry( + index = 214, + label = "C2H3F2-3 + CH3-2 <=> CH4 + C2H2F2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+12,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CH2 + CH3 <=> CH2:CF2 + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CH2 + CH3 <=> CH2:CF2 + CH4 +""", +) + +entry( + index = 215, + label = "C2H4F-2 + CH3-2 <=> CH4 + C2H3F-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.95e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CHF + CH3 <=> CH2:CHF + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CHF + CH3 <=> CH2:CHF + CH4 +""", +) + +entry( + index = 216, + label = "C2H3F2-2 + CH3-2 <=> CH4 + C2H2F2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CHF + CH3 <=> CHF:CHF[Z] + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CHF + CH3 <=> CHF:CHF[Z] + CH4 +""", +) + +entry( + index = 217, + label = "C2H2F3-2 + CH3-2 <=> CH4 + C2HF3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+12,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CHF + CH3 <=> CHF:CF2 + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CHF + CH3 <=> CHF:CF2 + CH4 +""", +) + +entry( + index = 218, + label = "C2H3F2 + CH3-2 <=> CH4 + C2H2F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.95e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CF2 + CH3 <=> CH2:CF2 + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CF2 + CH3 <=> CH2:CF2 + CH4 +""", +) + +entry( + index = 219, + label = "C2H2F3 + CH3-2 <=> CH4 + C2HF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.3e+13,'cm^3/(mol*s)'), n=-0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CF2 + CH3 <=> CHF:CF2 + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CF2 + CH3 <=> CHF:CF2 + CH4 +""", +) + +entry( + index = 220, + label = "C2H4F-2 + HO2-2 <=> H2O2 + C2H3F-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CHF + HO2 <=> CH2:CHF + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CHF + HO2 <=> CH2:CHF + H2O2 +""", +) + +entry( + index = 221, + label = "C2H3F2 + HO2-2 <=> H2O2 + C2H2F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CF2 + HO2 <=> CH2:CF2 + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CF2 + HO2 <=> CH2:CF2 + H2O2 +""", +) + +entry( + index = 222, + label = "C2H4F + HO2-2 <=> H2O2 + C2H3F", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CH2 + HO2 <=> CH2:CHF + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CH2 + HO2 <=> CH2:CHF + H2O2 +""", +) + +entry( + index = 223, + label = "C2H3F2-2 + HO2-2 <=> H2O2 + C2H2F2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CHF + HO2 <=> CHF:CHF[Z] + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CHF + HO2 <=> CHF:CHF[Z] + H2O2 +""", +) + +entry( + index = 224, + label = "C2H2F3 + HO2-2 <=> H2O2 + C2HF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CF2 + HO2 <=> CHF:CF2 + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CF2 + HO2 <=> CHF:CF2 + H2O2 +""", +) + +entry( + index = 225, + label = "C2H3F2-3 + HO2-2 <=> H2O2 + C2H2F2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CH2 + HO2 <=> CH2:CF2 + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CH2 + HO2 <=> CH2:CF2 + H2O2 +""", +) + +entry( + index = 226, + label = "C2H2F3-2 + HO2-2 <=> H2O2 + C2HF3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CHF + HO2 <=> CHF:CF2 + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CHF + HO2 <=> CHF:CF2 + H2O2 +""", +) + +entry( + index = 227, + label = "CH3O-3 + F <=> FH + CH2O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3O + F <=> CH2O + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3O + F <=> CH2O + HF +""", +) + +entry( + index = 228, + label = "C2H3 + F <=> FH + C2H2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H3 + F <=> C2H2 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H3 + F <=> C2H2 + HF +""", +) + +entry( + index = 229, + label = "C2H5 + Br <=> BrH + C2H4", + degeneracy = 3.0, + kinetics = Arrhenius(A=(7.11e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5 + BR <=> C2H4 + HBR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H5 + BR <=> C2H4 + HBR +""", +) + +entry( + index = 230, + label = "CH3O-3 + Br <=> BrH + CH2O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3O + BR <=> CH2O + HBR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3O + BR <=> CH2O + HBR +""", +) + +entry( + index = 231, + label = "CH3O-3 + BrO <=> BrHO + CH2O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3O + BRO <=> CH2O + BROH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3O + BRO <=> CH2O + BROH +""", +) + +entry( + index = 232, + label = "C3H2F3 + O2 <=> HO2 + C3HF3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(23900,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCH2 + O2 <=> CF3CCH + HO2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF3CCH2 + O2 <=> CF3CCH + HO2 +""", +) + +entry( + index = 233, + label = "C3H2F3 + O <=> HO-2 + C3HF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(2390,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCH2 + O <=> CF3CCH + OH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF3CCH2 + O <=> CF3CCH + OH +""", +) + +entry( + index = 234, + label = "C3H2F3 + HO <=> H2O + C3HF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(4780,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCH2 + OH <=> CF3CCH + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF3CCH2 + OH <=> CF3CCH + H2O +""", +) + +entry( + index = 235, + label = "CH2ClO + O2 <=> HO2 + CHClO", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.2e+12,'cm^3/(mol*s)'), n=0, Ea=(1856,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLO + O2 <=> CLCHO + HO2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2CLO + O2 <=> CLCHO + HO2 +""", +) + +entry( + index = 236, + label = "C2H4Cl + C2H4Cl-2 => C2H5Cl + C2H3Cl", + degeneracy = 3.0, + reversible = False, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHCL + CH3CHCL => C2H3CL + C2H5CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CHCL + CH3CHCL => C2H3CL + C2H5CL +""", +) + +entry( + index = 237, + label = "C2H4Cl-2 + O2 => HO2 + C2H3Cl", + degeneracy = 6.0, + reversible = False, + kinetics = Arrhenius(A=(1.5e+12,'cm^3/(mol*s)'), n=0, Ea=(6000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O2 + CH3CHCL => C2H3CL + HO2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: O2 + CH3CHCL => C2H3CL + HO2 +""", +) + +entry( + index = 238, + label = "C2H4Cl-2 + H <=> H2 + C2H3Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHCL + H <=> C2H3CL + H2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CHCL + H <=> C2H3CL + H2 +""", +) + +entry( + index = 239, + label = "C2H4Cl-2 + O <=> HO-2 + C2H3Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHCL + O <=> C2H3CL + OH""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CHCL + O <=> C2H3CL + OH +""", +) + +entry( + index = 240, + label = "C2H4Cl-2 + HO <=> H2O + C2H3Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHCL + OH <=> C2H3CL + H2O""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CHCL + OH <=> C2H3CL + H2O +""", +) + +entry( + index = 241, + label = "C2H4Cl-2 + Cl <=> ClH + C2H3Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(7e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHCL + CL <=> C2H3CL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CHCL + CL <=> C2H3CL + HCL +""", +) + +entry( + index = 242, + label = "C2H5 + Cl <=> ClH + C2H4", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.8e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5 + CL <=> C2H4 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H5 + CL <=> C2H4 + HCL +""", +) + +entry( + index = 243, + label = "C2H3O + Cl <=> ClH + C2H2O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CO + CL <=> CH2CO + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CO + CL <=> CH2CO + HCL +""", +) + +entry( + index = 244, + label = "CH3O-3 + Cl <=> ClH + CH2O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(4e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + CH3O <=> HCL + CH2O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CL + CH3O <=> HCL + CH2O +""", +) + +entry( + index = 245, + label = "CH3O + Cl <=> ClH + CH2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + CH2OH <=> HCL + CH2O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CL + CH2OH <=> HCL + CH2O +""", +) + +entry( + index = 246, + label = "CH3O-3 + ClO <=> ClHO + CH2O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.41e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CLO + CH3O <=> HOCL + CH2O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CLO + CH3O <=> HOCL + CH2O +""", +) + +entry( + index = 247, + label = "C2H4Cl-2 + Cl <=> ClH + C2H3Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHCL + CL <=> C2H3CL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CHCL + CL <=> C2H3CL + HCL +""", +) + +entry( + index = 248, + label = "C2H4Cl-3 + Cl <=> ClH + C2H3Cl-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CH2CL + CL <=> C2H3CL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CH2CL + CL <=> C2H3CL + HCL +""", +) + +entry( + index = 249, + label = "C2H3Cl2 + Cl <=> ClH + C2H2Cl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCHCL + CL <=> CHCLCHCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CLCHCL + CL <=> CHCLCHCL + HCL +""", +) + +entry( + index = 250, + label = "C2H3Cl2-2 + Cl <=> ClH + C2H2Cl2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CHCL2 + CL <=> CH2CCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CHCL2 + CL <=> CH2CCL2 + HCL +""", +) + +entry( + index = 251, + label = "C2H3Cl2-3 + Cl <=> ClH + C2H2Cl2-3", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CCL2 + CL <=> CH2CCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CCL2 + CL <=> CH2CCL2 + HCL +""", +) + +entry( + index = 252, + label = "C2H2Cl3 + Cl <=> ClH + C2HCl3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCCL2 + CL <=> C2HCL3 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CLCCL2 + CL <=> C2HCL3 + HCL +""", +) + +entry( + index = 253, + label = "C2H2Cl3-2 + Cl <=> ClH + C2HCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCLCHCL2 + CL <=> C2HCL3 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCLCHCL2 + CL <=> C2HCL3 + HCL +""", +) + +entry( + index = 254, + label = "C2HCl4 + Cl <=> ClH + C2Cl4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2CCL2 + CL <=> C2CL4 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL2CCL2 + CL <=> C2CL4 + HCL +""", +) + +entry( + index = 255, + label = "C2H2Cl + Cl <=> ClH + C2HCl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CCL + CL <=> C2HCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CCL + CL <=> C2HCL + HCL +""", +) + +entry( + index = 256, + label = "C2H2Cl + HO <=> H2O + C2HCl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CCL + OH <=> C2HCL + H2O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CCL + OH <=> C2HCL + H2O +""", +) + +entry( + index = 257, + label = "C2H2Cl-2 + Cl <=> ClH + C2HCl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCHCL + CL <=> C2HCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCHCL + CL <=> C2HCL + HCL +""", +) + +entry( + index = 258, + label = "C2H2Cl-2 + HO <=> H2O + C2HCl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCHCL + OH <=> C2HCL + H2O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCHCL + OH <=> C2HCL + H2O +""", +) + +entry( + index = 259, + label = "C2HCl2 + Cl <=> ClH + C2Cl2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCLCCL + CL <=> C2CL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCLCCL + CL <=> C2CL2 + HCL +""", +) + +entry( + index = 260, + label = "C2HCl2 + HO <=> H2O + C2Cl2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCLCCL + OH <=> C2CL2 + H2O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCLCCL + OH <=> C2CL2 + H2O +""", +) + diff --git a/input/kinetics/families/H_Abstraction/groups.py b/input/kinetics/families/H_Abstraction/groups.py index e1c5d81fc9..c36172085a 100644 --- a/input/kinetics/families/H_Abstraction/groups.py +++ b/input/kinetics/families/H_Abstraction/groups.py @@ -2,15 +2,23 @@ # encoding: utf-8 name = "H_Abstraction/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ The reaction site *3 needs a lone pair in order to react. It cannot be 2S or 4S. """ -template(reactants=["X_H_or_Xrad_H_Xbirad_H_Xtrirad_H", "Y_rad_birad_trirad_quadrad"], products=["X_H_or_Xrad_H_Xbirad_H_Xtrirad_H", "Y_rad_birad_trirad_quadrad"], ownReverse=True) +template(reactants=["Root"], products=["Root"], ownReverse=True) reversible = True +reverseMap = {'*1': '*3', '*3': '*1'} + +reactantNum = 2 + +productNum = 2 + +autoGenerated = True + recipe(actions=[ ['BREAK_BOND', '*1', 1, '*2'], ['FORM_BOND', '*2', 1, '*3'], @@ -20,7772 +28,135267 @@ entry( index = 0, - label = "X_H_or_Xrad_H_Xbirad_H_Xtrirad_H", - group = "OR{Xtrirad_H, Xbirad_H, Xrad_H, X_H}", + label = "Root", + group = +""" +1 *1 R u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 R u[1,2,3,4] +""", kinetics = None, ) entry( index = 1, - label = "Y_rad_birad_trirad_quadrad", - group = "OR{Y_rad, Y_1centerbirad, Y_1centertrirad, Y_1centerquadrad}", + label = "Root_3R-u3", + group = +""" +1 *1 R u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 R u3 +""", kinetics = None, ) entry( index = 2, - label = "Xtrirad_H", - group = "OR{C_quartet_H, C_doublet_H}", + label = "Root_3R-u3_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 R u3 +""", kinetics = None, ) entry( index = 3, - label = "C_quartet_H", + label = "Root_3R-u3_N-1R->C", group = """ -1 *1 C u3 p0 {2,S} -2 *2 H u0 p0 {1,S} +1 *1 [N,F,I,Br,Cl,O,H,S] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 R u3 """, kinetics = None, ) entry( index = 4, - label = "C_doublet_H", + label = "Root_3R-u3_N-1R->C_1BrClFHINOS->N", group = """ -1 *1 C u1 p1 {2,S} -2 *2 H u0 p0 {1,S} +1 *1 N u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 R u3 """, kinetics = None, ) entry( index = 5, - label = "Xbirad_H", - group = "OR{CH2_triplet_H, CH2_singlet_H, NH_triplet_H, NH_singlet_H}", + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N", + group = +""" +1 *1 [O,H] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 R u3 +""", kinetics = None, ) entry( index = 6, - label = "CH2_triplet_H", + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0", group = """ -1 *1 Cs u2 {2,S} {3,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} +1 *1 [O,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 R u3 """, kinetics = None, ) entry( index = 7, - label = "CH2_singlet_H", + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_1HO->O", group = """ -1 *1 C u0 p1 {2,S} {3,S} +1 *1 O u0 {2,S} 2 *2 H u0 {1,S} -3 H u0 {1,S} +3 *3 R u3 """, kinetics = None, ) entry( index = 8, - label = "NH_triplet_H", + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_N-1HO->O", group = """ -1 *1 N u2 p1 {2,S} -2 *2 H u0 {1,S} +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u3 r0 """, kinetics = None, ) entry( index = 9, - label = "NH_singlet_H", + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_N-1HO-u0", group = """ -1 *1 N u0 p2 {2,S} -2 *2 H u0 {1,S} +1 *1 O u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u3 r0 """, kinetics = None, ) entry( index = 10, - label = "Xrad_H", + label = "Root_3R->F", group = """ -1 *1 R!H u1 {2,S} -2 *2 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 11, - label = "C_rad_H", + label = "Root_3R->F_Ext-1R-R", group = """ -1 *1 C u1 {2,S} -2 *2 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 12, - label = "CH3_rad_H", + label = "Root_3R->F_Ext-1R-R_4R!H->O", group = """ -1 *1 Cs u1 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 13, - label = "Cs/H2/OneDeN", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0", group = """ -1 *1 C u1 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [N3d,N5dc] u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 14, - label = "OH_rad_H", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R", group = """ -1 *1 O u1 {2,S} -2 *2 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 15, - label = "Srad_H", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C", group = """ -1 *1 S u1 {2,S} -2 *2 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 16, - label = "N3s_rad_H", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_Sp-4O-1R", group = """ -1 *1 N3s u1 {2,S} -2 *2 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 17, - label = "NH2_rad_H", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_N-Sp-4O-1R", group = """ -1 *1 N3s u1 {2,S} {3,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,D} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 18, - label = "N3s_rad_H_pri", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_N-5R!H->C", group = """ -1 *1 N3s u1 {2,S} {3,S} -2 *2 H u0 {1,S} -3 [C,N,O] u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 19, - label = "N3s_rad_H/H/NonDeN", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R", group = """ -1 *1 N3s u1 {2,S} {3,S} -2 *2 H u0 {1,S} -3 N3s u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 1000, - label = "N5sc_radH", - group = -""" -1 *1 N5sc u1 {2,S} -2 *2 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,S} """, kinetics = None, ) entry( index = 20, - label = "X_H", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_1R->C", group = """ -1 *1 R u0 {2,S} -2 *2 H u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,S} """, kinetics = None, ) entry( index = 21, - label = "H2", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_N-1R->C", group = """ -1 *1 H u0 {2,S} -2 *2 H u0 {1,S} +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,S} """, kinetics = None, ) entry( index = 22, - label = "Ct_H", + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_N-Sp-4O-1R", group = """ -1 *1 Ct u0 {2,S} {3,T} -2 *2 H u0 {1,S} -3 [C,N] u0 {1,T} +1 *1 R u[0,1,2,3] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u0 {1,D} """, kinetics = None, ) entry( index = 23, - label = "Ct/H/NonDeC", + label = "Root_3R->F_Ext-1R-R_4R!H->O_N-4O-u0", group = """ -1 *1 Ct u0 {2,S} {3,T} -2 *2 H u0 {1,S} -3 Ct u0 {1,T} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 O u1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 24, - label = "Ct/H/NonDeN", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O", group = """ -1 *1 Ct u0 {2,S} {3,T} -2 *2 H u0 {1,S} -3 N3t u0 {1,T} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 25, - label = "O_H", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 R u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux {1,T} """, kinetics = None, ) entry( index = 26, - label = "O_pri", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D]} """, kinetics = None, ) entry( index = 27, - label = "O_sec", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 R!H u0 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} """, kinetics = None, ) entry( index = 28, - label = "O/H/NonDeC", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 Cs u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} """, kinetics = None, ) entry( index = 29, - label = "O/H/NonDeO", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 30, - label = "H2O2", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C", group = """ -1 *1 O u0 {2,S} {3,S} -2 O u0 {1,S} {4,S} -3 *2 H u0 {1,S} -4 H u0 {2,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 R!H ux {1,S} """, kinetics = None, ) entry( index = 31, - label = "ROOH_pri", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R", group = """ -1 C u0 {2,S} {4,S} {5,S} {6,S} -2 O u0 {1,S} {3,S} -3 *1 O u0 {2,S} {7,S} -4 Cs u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 *2 H u0 {3,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 32, - label = "ROOH_sec", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C", group = """ -1 C u0 {2,S} {4,S} {5,S} {6,S} -2 O u0 {1,S} {3,S} -3 *1 O u0 {2,S} {7,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} -6 H u0 {1,S} -7 *2 H u0 {3,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 33, - label = "ROOH_ter", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R", group = """ -1 *1 O u0 {2,S} {7,S} -2 O u0 {1,S} {3,S} -3 C u0 {2,S} {4,S} {5,S} {6,S} -4 Cs u0 {3,S} -5 Cs u0 {3,S} -6 Cs u0 {3,S} -7 *2 H u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 34, - label = "O/H/NonDeN", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 N3s u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 35, - label = "O/H/OneDe", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 36, - label = "O/H/OneDeC", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_7BrCFINOPSSi->Br", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 Br ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 37, - label = "O/H/OneDeN", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 [N3d,N5dc] u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 F ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 38, - label = "OSrad_O_H", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 [O,S] u1 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 F ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 39, - label = "Orad_O_H", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R_Ext-5C-R", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 O u1 {1,S} +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 F u1 r0 +4 F u0 r0 {1,S} +5 C u0 r0 {1,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 F u0 r0 {1,S} +7 F u0 r0 {5,S} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 40, - label = "Srad_O_H", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C", group = """ -1 *1 O u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 S u1 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 [F,Cl] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 41, - label = "S_H", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl", group = """ -1 *1 S u0 {2,S} -2 *2 H u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 Cl ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 42, - label = "S_pri", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_6R!H->F", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 Cl ux {1,S} +6 F ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 43, - label = "S/H/single", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_N-6R!H->F", group = """ -1 *1 S u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 R!H u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 Cl ux {1,S} +6 Cl ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 44, - label = "S/H/NonDeC", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_N-5ClF->Cl", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 Cs u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 45, - label = "S/H/NonDeS", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 S u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 R!H ux {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 46, - label = "S/H/NonDeN", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 N u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 R!H ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 47, - label = "S/H/NonDeO", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 F u1 r0 +4 F u0 r0 {1,S} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 48, - label = "S/H/OneDe", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 C ux {1,S} """, kinetics = None, ) entry( index = 49, - label = "S/H/Ct", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 Ct u0 {1,S} +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 F u1 r0 +4 F u0 r0 {1,S} +5 F u0 r0 {1,S} """, kinetics = None, ) entry( index = 50, - label = "S/H/Cb", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_N-Sp-5R!H-1C", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 Cb u0 {1,S} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} +5 R!H ux {1,[B,D,T,Q]} """, kinetics = None, ) entry( index = 51, - label = "S/H/CO", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_N-1R->C", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 CO u0 {1,S} +1 *1 O u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 F ux {1,[S,D]} """, kinetics = None, ) entry( index = 52, - label = "S/H/Cd", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 Cd u0 {1,S} {4,D} -3 *2 H u0 {1,S} -4 C u0 {2,D} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [Br,C,Cl] ux {1,[S,D]} """, kinetics = None, ) entry( index = 53, - label = "S/H/CS", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 CS u0 {1,S} {4,D} -3 *2 H u0 {1,S} -4 S u0 {2,D} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [Br,C,Cl] ux {1,[S,D]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 54, - label = "S/H/Rad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C", group = """ -1 *1 S u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 R!H u1 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 55, - label = "S/H/CRad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 Cs u1 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 56, - label = "S/H/SRad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 S u1 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 57, - label = "S/H/NRad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R_Ext-4C-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 N u1 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 58, - label = "S/H/ORad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 O u1 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {6,[S,D,T,B,Q]} +5 R!H ux {1,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 59, - label = "S/H/MulBondRad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R_Ext-1R-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 [Cd,CO,CS] u1 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {6,[S,D,T,B,Q]} +5 R!H ux {1,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 60, - label = "S/H/CORad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-1R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 CO u1 {1,S} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {6,[S,D,T,B,Q]} +5 R!H ux {1,[B,D,T,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 61, - label = "S/H/CdRad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-1R-R", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 Cd u1 {1,S} {4,D} -4 C u0 {3,D} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 62, - label = "S/H/CSRad", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C", group = """ -1 *1 S2s u0 {2,S} {3,S} -2 *2 H u0 {1,S} -3 CS u1 {1,S} {4,D} -4 S u0 {3,D} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 Cl ux {1,[S,D]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 63, - label = "S/H/double", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C_Ext-1R-R", group = """ -1 *1 S u0 p[0,1] {2,S} {3,D} -2 *2 H u0 {1,S} -3 R!H ux {1,D} +1 *1 R u[0,1,2,3] {2,S} {4,[S,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 Cl ux {1,[S,D]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 64, - label = "S/H/double_val4", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C", group = """ -1 *1 S u0 p1 {2,S} {3,D} -2 *2 H u0 {1,S} -3 R!H ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [Br,C,Cl] ux {1,[S,D]} """, kinetics = None, ) entry( index = 65, - label = "S/H/double_val4C", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C", group = """ -1 *1 S u0 p1 {2,S} {3,D} -2 *2 H u0 {1,S} -3 C ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} """, kinetics = None, ) entry( index = 66, - label = "S/H/double_val4N", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R", group = """ -1 *1 S u0 p1 {2,S} {3,D} -2 *2 H u0 {1,S} -3 N ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 67, - label = "S/H/double_val4S", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F", group = """ -1 *1 S u0 p1 {2,S} {3,D} -2 *2 H u0 {1,S} -3 S ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 68, - label = "S/H/double_val4O", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R", group = """ -1 *1 S u0 p1 {2,S} {3,D} -2 *2 H u0 {1,S} -3 O ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 69, - label = "S/H/double_val6", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C", group = """ -1 *1 S6d u0 p0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 R!H ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 70, - label = "S/H/double_val6C", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C_Ext-4C-R", group = """ -1 *1 S6d u0 p0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 C ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 71, - label = "S/H/double_val6N", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_N-Sp-4C-1C", group = """ -1 *1 S6d u0 p0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 N ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 72, - label = "S/H/double_val6S", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F", group = """ -1 *1 S6d u0 p0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 S ux {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {5,[S,D,T,B,Q]} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 73, - label = "S/H/double_val6O", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C", group = """ -1 *1 S6d u0 p0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 O u0 {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {5,[S,D,T,B,Q]} +5 [Br,O] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 74, - label = "S/H/twoDoubles", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Sp-4C-1C", group = """ -1 *1 S6dd u0 p0 {2,S} {3,D} {4,D} -2 *2 H u0 {1,S} -3 R!H ux {1,D} -4 R!H ux {1,D} +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 F u1 r0 +4 C u0 r0 {1,S} {5,S} +5 O u0 r0 {4,S} """, kinetics = None, ) entry( index = 75, - label = "S/H/twoDoublesOO", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C", group = """ -1 *1 S6dd u0 p0 {2,S} {3,D} {4,D} -2 *2 H u0 {1,S} -3 O u0 {1,D} -4 O u0 {1,D} +1 *1 C u[0,1,2,3] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,D} {5,[S,D,T,B,Q]} +5 [Br,O] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 76, - label = "S/H/triple", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C_Ext-4C-R", group = """ -1 *1 S u0 p[0,1] {2,S} {3,T} -2 *2 H u0 {1,S} -3 R!H ux {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [Br,O] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 77, - label = "S/H/triple_val4", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-4C-R", group = """ -1 *1 S u0 p1 {2,S} {3,T} -2 *2 H u0 {1,S} -3 R!H ux {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 78, - label = "S/H/triple_val4C", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-5BrCClINOPSSi-R", group = """ -1 *1 S u0 p1 {2,S} {3,T} -2 *2 H u0 {1,S} -3 C ux {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,[S,D]} {5,[S,D,T,B,Q]} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 79, - label = "S/H/triple_val4N", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Sp-4C-1C", group = """ -1 *1 S u0 p1 {2,S} {3,T} -2 *2 H u0 {1,S} -3 N u0 {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,S} """, kinetics = None, ) entry( index = 80, - label = "S/H/triple_val4S", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_N-Sp-4C-1C", group = """ -1 *1 S u0 p1 {2,S} {3,T} -2 *2 H u0 {1,S} -3 S ux p[0,1] {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 C ux {1,D} """, kinetics = None, ) entry( index = 81, - label = "S/H/triple_val6", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C", group = """ -1 *1 S u0 p0 {2,S} {3,T} -2 *2 H u0 {1,S} -3 R!H ux {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [Br,Cl] ux {1,[S,D]} """, kinetics = None, ) entry( index = 82, - label = "S/H/triple_val6C", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_4BrCl->Br", group = """ -1 *1 S u0 p0 {2,S} {3,T} -2 *2 H u0 {1,S} -3 C ux {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 Br ux {1,[S,D]} """, kinetics = None, ) entry( index = 83, - label = "S/H/triple_val6N", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_N-4BrCl->Br", group = """ -1 *1 S u0 p0 {2,S} {3,T} -2 *2 H u0 {1,S} -3 N u0 {1,T} +1 *1 C u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 Cl ux {1,[S,D]} """, kinetics = None, ) entry( index = 84, - label = "S/H/triple_val6S", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C", group = """ -1 *1 S u0 p0 {2,S} {3,T} -2 *2 H u0 {1,S} -3 S ux p[0,1] {1,T} +1 *1 O u[0,1,2,3] {2,S} {4,[S,D]} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] +4 [Br,C,Cl] ux {1,[S,D]} """, kinetics = None, ) entry( index = 85, - label = "Cd_H", + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C_Ext-4BrCCl-R", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 [C,N] u0 {1,D} -3 *2 H u0 {1,S} -4 R u0 {1,S} +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 F u1 r0 +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} """, kinetics = None, ) entry( index = 86, - label = "Cd_pri", + label = "Root_3R->F_1R->O", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 [Cd,N] u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} +1 *1 O u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 87, - label = "Cd/H2/NonDeC", + label = "Root_3R->F_1R->O_1O-u0", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 88, - label = "Cd/H2/NonDeN", + label = "Root_3R->F_1R->O_N-1O-u0", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 N3d u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 89, - label = "Cd_sec", + label = "Root_3R->F_N-1R->O", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 [Cd,N] u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 R!H u0 {1,S} -5 R u0 {2,S} +1 *1 [Br,C,Cl,H] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 90, - label = "Cd/H/NonDeC", + label = "Root_3R->F_N-1R->O_1BrCClH->Br", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 91, - label = "Cd/H/NonDeO", + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 O u0 {1,S} -5 R u0 {2,S} +1 *1 [C,Cl,H] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 92, - label = "Cd/H/NonDeS", + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_1CClH->Cl", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 S u0 {1,S} -5 R u0 {2,S} +1 *1 Cl u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 93, - label = "Cd/H/NonDeN", + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 [N3s,N5sc] u0 {1,S} -5 R u0 {2,S} +1 *1 [C,H] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 94, - label = "Cd/H/OneDe", + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_1CH->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N3t,N3b,N5dc,N5ddc,N5tc,N5b] u0 {1,S} -5 R u0 {2,S} +1 *1 C u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 95, - label = "Cd/H/Ct", + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_N-1CH->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 Ct u0 {1,S} -5 R u0 {2,S} +1 *1 H u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 F u[1,2,3,4] """, kinetics = None, ) entry( index = 96, - label = "Cd/H/Cb", + label = "Root_N-3R->F", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 Cb u0 {1,S} -5 R u0 {2,S} +1 *1 R u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,C,H,S] u[1,2,3,4] """, kinetics = None, ) entry( index = 97, - label = "Cd/H/CO", + label = "Root_N-3R->F_3BrCClHINOS->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 CO u0 {1,S} -5 R u0 {2,S} +1 *1 R u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] """, kinetics = None, ) entry( index = 98, - label = "Cd/H/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_1R-u2", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {6,S} -3 Cd u0 {1,S} {5,D} -4 *2 H u0 {1,S} -5 C u0 {3,D} -6 R u0 {2,S} +1 *1 R u2 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] """, kinetics = None, ) entry( index = 99, - label = "Cd/H/CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} +1 *1 R u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] """, kinetics = None, ) entry( index = 100, - label = "Cd/H/DeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} -3 *2 H u0 {1,S} -4 [N3d,N3t,N3b,N5dc,N5ddc,N5tc,N5b] u0 {1,S} -5 R u0 {2,S} +1 *1 S u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] """, kinetics = None, ) entry( index = 101, - label = "Cd_allenic", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cdd u0 {1,D} -3 *2 H u0 {1,S} -4 R u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] """, kinetics = None, ) entry( index = 102, - label = "Cd_Cdd/H2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 Cdd u0 {1,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 """, kinetics = None, ) entry( index = 103, - label = "Cb_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R", group = """ -1 *1 Cb u0 {2,B} {3,B} {4,S} -2 [Cb,Cbf] u0 {1,B} -3 [Cb,Cbf] u0 {1,B} -4 *2 H u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 104, - label = "CO_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 O u0 {1,D} -3 *2 H u0 {1,S} -4 R u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 105, - label = "CO_pri", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 O u0 {1,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 106, - label = "CO_sec", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 O u0 {1,D} -3 *2 H u0 {1,S} -4 R!H u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux {1,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 107, - label = "CO/H/NonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 O u0 {1,D} -3 *2 H u0 {1,S} -4 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux {1,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} """, kinetics = None, ) entry( index = 108, - label = "CO/H/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 O u0 {1,D} -3 *2 H u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux {1,[S,D,T,B,Q]} {5,D} +5 S ux {4,D} """, kinetics = None, ) entry( index = 109, - label = "CO/H/Cs\Cs|Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_4C-inRing", group = """ -1 *1 C u0 {2,S} {4,D} {5,S} -2 Cs u0 {1,S} {3,S} -3 Cs u0 {2,S} {6,S} -4 O u0 {1,D} -5 *2 H u0 {1,S} -6 Cs u0 {3,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r1 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 110, - label = "CO/H/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-4C-inRing", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 O u0 {1,D} -3 *2 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r0 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 111, - label = "CS_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_N-4R!H->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 R u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 112, - label = "CS_pri", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 """, kinetics = None, ) entry( index = 113, - label = "CS_sec", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 R!H u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 114, - label = "CS/H/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 115, - label = "CS/H/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 116, - label = "CS/H/NonDeS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 117, - label = "CS/H/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Sp-6R!H-3C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {3,S} """, kinetics = None, ) entry( index = 118, - label = "CS/H/Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_N-Sp-6R!H-3C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 Ct u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[B,D,T,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {3,[B,D,T,Q]} """, kinetics = None, ) entry( index = 119, - label = "CS/H/Cb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 Cb u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 120, - label = "CS/H/CO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 CO u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 121, - label = "CS/H/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,D} {4,S} -2 Cd u0 {1,S} {5,D} -3 S u0 {1,D} -4 *2 H u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 122, - label = "CS/H/CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R", group = """ -1 *1 C u0 {2,D} {3,S} {4,S} -2 S u0 {1,D} -3 *2 H u0 {1,S} -4 CS u0 {1,S} {5,D} -5 S u0 {4,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 123, - label = "Cs_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 R u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 124, - label = "C_methane", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 125, - label = "C_pri", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 R!H u0 {1,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 126, - label = "C/H3/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 127, - label = "C/H3/Cs\H3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 128, - label = "C/H3/Cs\OneNonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 [Cs,O,S] u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 [N,P,F,I,Br,Cl,O,Si,S] ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 129, - label = "C/H3/Cs\H2\Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 Cs u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {10,T} +10 R!H ux {9,T} """, kinetics = None, ) entry( index = 130, - label = "C/H3/Cs\H2\Cs|O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *1 C u0 {1,S} {6,S} {7,S} {8,S} -3 Cs u0 {1,S} {9,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 *2 H u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 [O,S] u0 {3,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,Q,B]} +10 R!H ux {9,[S,D,Q,B]} """, kinetics = None, ) entry( index = 131, - label = "C/H3/Cs\H2\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 [O,S] u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {10,[S,D,Q,B]} +10 R!H ux {9,[S,D,Q,B]} """, kinetics = None, ) entry( index = 132, - label = "C/H3/Cs\TwoNonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 [Cs,O,S] u0 {2,S} -7 [Cs,O,S] u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,Q,B]} +10 R!H ux {9,[S,D,Q,B]} """, kinetics = None, ) entry( index = 133, - label = "C/H3/Cs\H\Cs\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_N-9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 Cs u0 {2,S} -7 [O,S] u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 134, - label = "C/H3/Cs\H\Cs\Cs|O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 Cs u0 {2,S} {9,S} -7 Cs u0 {2,S} -8 H u0 {2,S} -9 [O,S] u0 {6,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 135, - label = "C/H3/Cs\TwoDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 [Cd,CO,Cb,Ct] u0 {2,S} -7 [Cd,CO,Cb,Ct] u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 136, - label = "1_methyl_CPD", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R", group = """ -1 *1 Cs u0 {6,S} {7,S} {8,S} {9,S} -2 Cd u0 {3,D} {6,S} -3 Cd u0 {2,D} {4,S} -4 Cd u0 {3,S} {5,D} -5 Cd u0 {4,D} {6,S} -6 Cs u0 {1,S} {2,S} {5,S} {10,S} -7 *2 H u0 {1,S} -8 H u0 {1,S} -9 H u0 {1,S} -10 H u0 {6,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 137, - label = "C/H3/O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 138, - label = "C/H3/S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 R!H ux {8,T} """, kinetics = None, ) entry( index = 139, - label = "C/H3/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 140, - label = "C/H3/Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 141, - label = "C/H3/Cb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 142, - label = "C/H3/CO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_N-8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CO u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 143, - label = "C/H3/CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CS u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 144, - label = "C/H3/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 145, - label = "2_methyl_CPD", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C", group = """ -1 *1 Cs u0 {2,S} {7,S} {8,S} {9,S} -2 Cd u0 {1,S} {3,D} {4,S} -3 Cd u0 {2,D} {5,S} -4 C u0 {2,S} {6,S} -5 Cd u0 {3,S} {6,D} -6 Cd u0 {4,S} {5,D} -7 *2 H u0 {1,S} -8 H u0 {1,S} -9 H u0 {1,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 146, - label = "3_methyl_CPD", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R", group = """ -1 *1 Cs u0 {2,S} {7,S} {8,S} {9,S} -2 Cd u0 {1,S} {3,D} {4,S} -3 Cd u0 {2,D} {6,S} -4 Cd u0 {2,S} {5,D} -5 Cd u0 {4,D} {6,S} -6 C u0 {3,S} {5,S} -7 *2 H u0 {1,S} -8 H u0 {1,S} -9 H u0 {1,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 147, - label = "C/H3/Cd\H_Cd\H2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C", group = """ -1 *1 C u0 {2,S} {4,S} {5,S} {6,S} -2 Cd u0 {1,S} {3,D} {7,S} -3 Cd u0 {2,D} {8,S} {9,S} -4 *2 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {3,S} -9 H u0 {3,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 [N,P,F,I,Br,Cl,O,Si,S] ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 148, - label = "C/H3/Cd\H_Cd\H\Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C", group = """ -1 *1 C u0 {2,S} {4,S} {5,S} {6,S} -2 Cd u0 {1,S} {3,D} {7,S} -3 Cd u0 {2,D} {8,S} {9,S} -4 *2 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 Cs u0 {3,S} -9 H u0 {3,S} +1 *1 S u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C u0 {1,S} {10,T} +10 C u0 {9,T} """, kinetics = None, ) entry( index = 149, - label = "C/H3/Cd\Cs_Cd\H2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C", group = """ -1 *1 C u0 {2,S} {4,S} {5,S} {6,S} -2 Cd u0 {1,S} {3,D} {7,S} -3 Cd u0 {2,D} {8,S} {9,S} -4 *2 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 Cs u0 {2,S} -8 H u0 {3,S} -9 H u0 {3,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,Q,B]} +10 C ux {9,[S,D,Q,B]} """, kinetics = None, ) entry( index = 150, - label = "Cs/H3/NonDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 N3s u0 {1,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {10,[S,D,Q,B]} +10 C ux {9,[S,D,Q,B]} """, kinetics = None, ) entry( index = 151, - label = "Cs/H3/OneDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 [N3d,N5dc] u0 {1,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,Q,B]} +10 C ux {9,[S,D,Q,B]} """, kinetics = None, ) entry( index = 152, - label = "C_sec", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_N-9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 R!H u0 {1,S} -5 R!H u0 {1,S} +1 *1 S u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 153, - label = "C/H2/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 154, - label = "C/H2/Cs/Cs\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {1,S} -6 [O,S] u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 155, - label = "C/H2/Cs/Cs\Cs|O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R", group = """ -1 *1 C u0 {2,S} {4,S} {5,S} {6,S} -2 Cs u0 {1,S} {3,S} -3 Cs u0 {2,S} {7,S} -4 *2 H u0 {1,S} -5 H u0 {1,S} -6 Cs u0 {1,S} -7 [O,S] u0 {3,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 156, - label = "C/H2/NonDeC_5ring", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {6,S} {7,S} -2 Cs u0 {1,S} {4,S} -3 Cs u0 {1,S} {5,S} -4 Cs u0 {2,S} {5,S} -5 Cs u0 {3,S} {4,S} -6 *2 H u0 {1,S} -7 H u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 157, - label = "C/H2/NonDeC_5ring_fused6_1", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C", group = """ -1 *1 C u0 {2,S} {4,S} {8,S} {9,S} -2 Cs u0 {1,S} {5,S} {6,S} -3 Cs u0 {4,S} {5,S} {7,S} -4 Cs u0 {1,S} {3,S} -5 Cs u0 {2,S} {3,S} -6 Cs u0 {2,S} {7,S} -7 Cs u0 {3,S} {6,S} -8 *2 H u0 {1,S} -9 H u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 R!H ux {8,T} """, kinetics = None, ) entry( index = 158, - label = "C/H2/NonDeC_5ring_fused6_2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C", group = """ -1 *1 C u0 {2,S} {3,S} {8,S} {9,S} -2 Cs u0 {1,S} {4,S} {6,S} -3 Cs u0 {1,S} {5,S} {7,S} -4 Cs u0 {2,S} {5,S} -5 Cs u0 {3,S} {4,S} -6 Cs u0 {2,S} {7,S} -7 Cs u0 {3,S} {6,S} -8 *2 H u0 {1,S} -9 H u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 159, - label = "C/H2/NonDeC_5ring_alpha6ring", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing", group = """ -1 *1 C u0 {2,S} {4,S} {10,S} {11,S} -2 Cs u0 {1,S} {3,S} {6,S} -3 Cs u0 {2,S} {5,S} {7,S} -4 Cs u0 {1,S} {5,S} -5 Cs u0 {3,S} {4,S} -6 C u0 {2,S} {8,S} -7 C u0 {3,S} {9,S} -8 C u0 {6,S} {9,S} -9 C u0 {7,S} {8,S} -10 *2 H u0 {1,S} -11 H u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 160, - label = "C/H2/NonDeC_5ring_beta6ring", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing", group = """ -1 *1 C u0 {4,S} {5,S} {10,S} {11,S} -2 Cs u0 {3,S} {4,S} {6,S} -3 Cs u0 {2,S} {5,S} {7,S} -4 Cs u0 {1,S} {2,S} -5 Cs u0 {1,S} {3,S} -6 C u0 {2,S} {8,S} -7 C u0 {3,S} {9,S} -8 C u0 {6,S} {9,S} -9 C u0 {7,S} {8,S} -10 *2 H u0 {1,S} -11 H u0 {1,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 161, - label = "C/H2/Cs\H3/Cs\H3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_N-8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 Cs u0 {1,S} {9,S} {10,S} {11,S} -4 *2 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {3,S} -10 H u0 {3,S} -11 H u0 {3,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 162, - label = "C/H2/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} """, kinetics = None, ) entry( index = 163, - label = "C/H2/CsO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 S ux {3,S} """, kinetics = None, ) entry( index = 164, - label = "C/H2/Cs\Cs2/O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {6,S} -2 *1 C u0 {1,S} {5,S} {7,S} {8,S} -3 C u0 {1,S} {9,S} {10,S} {11,S} -4 C u0 {1,S} {12,S} {13,S} {14,S} -5 O u0 {2,S} {15,S} -6 H u0 {1,S} -7 *2 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {3,S} -10 H u0 {3,S} -11 H u0 {3,S} -12 H u0 {4,S} -13 H u0 {4,S} -14 H u0 {4,S} -15 H u0 {5,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} """, kinetics = None, ) entry( index = 165, - label = "C/H2/O2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -5 O u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 166, - label = "C/H2/NonDeS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 167, - label = "C/H2/CsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 168, - label = "C/H2/NonDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 N u0 {1,S} -5 [Cs,O,S,N] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 169, - label = "C/H2/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,CS,Cb] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 170, - label = "C/H2/OneDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,CS,Cb] u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 171, - label = "C/H2/CtCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 172, - label = "C/H2/CbCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {9,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 173, - label = "C/H2/COCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 CO u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 174, - label = "C/H2/CO\H/Cs\H3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cs u0 {1,S} {6,S} {7,S} {8,S} -3 CO u0 {1,S} {9,D} {10,S} -4 *2 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 O u0 {3,D} -10 H u0 {3,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {9,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 175, - label = "C/H2/CdCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {1,S} -6 Cd u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 176, - label = "C/H2/Cd\H_Cd\H2/Cs\H3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {5,S} {6,S} -2 Cs u0 {1,S} {7,S} {8,S} {9,S} -3 Cd u0 {1,S} {4,D} {10,S} -4 Cd u0 {3,D} {11,S} {12,S} -5 *2 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {3,S} -11 H u0 {4,S} -12 H u0 {4,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 177, - label = "C/H2/CSCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 CS u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {1,S} -6 S u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 178, - label = "C/H2/OneDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,CS,Cb] u0 {1,S} -5 O u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 S ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 179, - label = "C/H2/OneDeS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,CS,Cb] u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} """, kinetics = None, ) entry( index = 180, - label = "C/H2/CbS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 181, - label = "C/H2/CtS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 182, - label = "C/H2/CdS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 S u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 183, - label = "C/H2/CSS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 CS u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 S u0 {1,S} -6 S u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 184, - label = "C/H2/TwoDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Ct,CO,CS,Cb] u0 {1,S} -5 [Cd,Ct,CO,CS,Cb] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 185, - label = "C/H2/CtCt", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 186, - label = "C/H2/CtCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 Cb u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 187, - label = "C/H2/CtCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 CO u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {9,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 188, - label = "C/H2/CbCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 Cb u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 189, - label = "C/H2/CbCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 CO u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {9,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 190, - label = "C/H2/COCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 CO u0 {1,S} -5 CO u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 191, - label = "C/H2/CdCt", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 192, - label = "C/H2/CtCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 CS u0 {1,S} {6,D} -6 S u0 {5,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 193, - label = "C/H2/CdCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 S ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 194, - label = "C/H2/CbCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 CS u0 {1,S} {6,D} -6 S u0 {5,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 S ux {3,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 195, - label = "C/H2/CdCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 H u0 {1,S} -5 CO u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 S ux {3,S} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 196, - label = "C/H2/COCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 CO u0 {1,S} -5 CS u0 {1,S} {6,D} -6 S u0 {5,D} +1 *1 S u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {3,S} +7 C u0 {1,S} +8 C u0 {3,S} """, kinetics = None, ) entry( index = 197, - label = "C/H2/CdCd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 Cd u0 {1,S} {7,D} -4 *2 H u0 {1,S} -5 H u0 {1,S} -6 C u0 {2,D} -7 C u0 {3,D} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {3,S} +7 C u0 r1 {1,S} +8 C u0 r0 {3,S} """, kinetics = None, ) entry( index = 198, - label = "C/H2/CdCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cd u0 {1,S} {6,D} -5 CS u0 {1,S} {7,D} -6 C u0 {4,D} -7 S u0 {5,D} +1 *1 S u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 {3,S} """, kinetics = None, ) entry( index = 199, - label = "C/H2/CSCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 CS u0 {1,S} {6,D} -5 CS u0 {1,S} {7,D} -6 S u0 {4,D} -7 S u0 {5,D} +1 *1 S u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {3,S} +9 R!H u0 {7,D} """, kinetics = None, ) entry( index = 200, - label = "C_ter", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -5 R!H u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {3,S} +9 C u0 r0 {7,D} """, kinetics = None, ) entry( index = 201, - label = "C/H/NonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cs,O,S,N] u0 {1,S} -4 [Cs,O,S,N] u0 {1,S} -5 [Cs,O,S,N] u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {3,S} +9 [N,P,F,I,Br,Cl,O,Si,S] u0 r0 {7,D} """, kinetics = None, ) entry( index = 202, - label = "C/H/Cs3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {3,S} +7 C u0 r1 {1,S} """, kinetics = None, ) entry( index = 203, - label = "C/H/Cs2/Cs\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {6,S} -2 Cs u0 {1,S} {5,S} {7,S} {8,S} -3 Cs u0 {1,S} {9,S} {10,S} {11,S} -4 Cs u0 {1,S} {12,S} {13,S} {14,S} -5 [O,S] u0 {2,S} {15,S} -6 *2 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {3,S} -10 H u0 {3,S} -11 H u0 {3,S} -12 H u0 {4,S} -13 H u0 {4,S} -14 H u0 {4,S} -15 H u0 {5,S} +1 *1 S u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {3,S} +7 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 204, - label = "C/H/Cs2/Cs\Cs|O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", group = """ -1 *1 Cs u0 {2,S} {3,S} {4,S} {6,S} -2 Cs u0 {1,S} {5,S} {7,S} {8,S} -3 Cs u0 {1,S} {9,S} {10,S} {11,S} -4 Cs u0 {1,S} {13,S} {14,S} {15,S} -5 Cs u0 {2,S} {12,S} {16,S} {17,S} -6 *2 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {3,S} -10 H u0 {3,S} -11 H u0 {3,S} -12 H u0 {5,S} -13 H u0 {4,S} -14 H u0 {4,S} -15 H u0 {4,S} -16 H u0 {5,S} -17 [O,S] u0 {5,S} +1 *1 S u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 R!H u0 {7,D} """, kinetics = None, ) entry( index = 205, - label = "C/H/Cs3_5ring", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {6,S} {7,S} -2 Cs u0 {1,S} {4,S} -3 Cs u0 {1,S} {5,S} -4 Cs u0 {2,S} {5,S} -5 Cs u0 {3,S} {4,S} -6 *2 H u0 {1,S} -7 Cs u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} """, kinetics = None, ) entry( index = 206, - label = "C/H/Cs3_5ring_fused6", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", group = """ -1 *1 C u0 {3,S} {4,S} {5,S} {8,S} -2 Cs u0 {3,S} {6,S} {7,S} -3 Cs u0 {1,S} {2,S} -4 Cs u0 {1,S} {6,S} -5 Cs u0 {1,S} {7,S} -6 Cs u0 {2,S} {4,S} -7 Cs u0 {2,S} {5,S} -8 *2 H u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 [N,P,F,I,Br,Cl,O,Si,S] u0 r0 {7,D} """, kinetics = None, ) entry( index = 207, - label = "C/H/Cs3_5ring_adj5", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {9,S} -2 Cs u0 {1,S} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 Cs u0 {1,S} {8,S} -5 Cs u0 {2,S} {7,S} -6 Cs u0 {2,S} {8,S} -7 Cs u0 {3,S} {5,S} -8 Cs u0 {4,S} {6,S} -9 *2 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 S ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 208, - label = "C/H/Cs2N", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 N u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 S ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 209, - label = "C/H/NDMustO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} -4 [Cs,O] u0 {1,S} -5 [Cs,O] u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 S ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 210, - label = "C/H/Cs2O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 211, - label = "C/H/CsO2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} -4 O u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 212, - label = "C/H/O3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} -4 O u0 {1,S} -5 O u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 213, - label = "C/H/NDMustS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 S u0 {1,S} -4 [Cs,S] u0 {1,S} -5 [Cs,S] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 214, - label = "C/H/Cs2S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 215, - label = "C/H/CsS2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 S u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,T} """, kinetics = None, ) entry( index = 216, - label = "C/H/S3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_Sp-5C#4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 S u0 {1,S} -4 S u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,T} """, kinetics = None, ) entry( index = 217, - label = "C/H/NDMustOS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} -4 S u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D]} +5 C ux {4,[B,D]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,T} """, kinetics = None, ) entry( index = 218, - label = "C/H/CsOS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 O u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,D]} +5 C ux {4,[B,D]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,T} """, kinetics = None, ) entry( index = 219, - label = "C/H/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,D]} +5 C ux {4,[B,D]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,T} """, kinetics = None, ) entry( index = 220, - label = "C/H/Cs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 221, - label = "C/H/Cs2Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 222, - label = "C/H/Cs2Cb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 223, - label = "C/H/Cs2CO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_N-7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 224, - label = "C/H/Cs2Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 225, - label = "C/H/Cs2CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 CS u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {1,S} -6 S u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 226, - label = "C/H/CsO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 227, - label = "C/H/CsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[B,D]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {7,[B,D]} """, kinetics = None, ) entry( index = 228, - label = "C/H/CbCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Cb u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {3,S} +9 C u0 r1 {7,B} """, kinetics = None, ) entry( index = 229, - label = "C/H/CtCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Ct u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {3,S} +9 C u0 r1 {7,B} """, kinetics = None, ) entry( index = 230, - label = "C/H/CdCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 231, - label = "C/H/CSCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 CS u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 S u0 {1,S} -5 Cs u0 {1,S} -6 S u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 232, - label = "C/H/OO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} -5 O u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 233, - label = "C/H/OS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 234, - label = "C/H/SS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 S u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 235, - label = "C/H/TwoDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 236, - label = "C/H/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 237, - label = "C/H/CtCt", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 238, - label = "C/H/CtCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Ct u0 {1,S} -4 Cb u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 239, - label = "C/H/CtCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Ct u0 {1,S} -4 CO u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 240, - label = "C/H/CbCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Cb u0 {1,S} -4 Cb u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 241, - label = "C/H/CbCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Cb u0 {1,S} -4 CO u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 242, - label = "C/H/COCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 CO u0 {1,S} -4 CO u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 243, - label = "C/H/CdCt", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 244, - label = "C/H/CtCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Ct u0 {1,S} -4 CS u0 {1,S} {6,D} -5 Cs u0 {1,S} -6 S u0 {4,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 245, - label = "C/H/CdCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 Cb u0 {1,S} -5 Cs u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 246, - label = "C/H/CbCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_N-Sp-5C=4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Cb u0 {1,S} -4 CS u0 {1,S} -5 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 247, - label = "C/H/CdCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 *2 H u0 {1,S} -4 CO u0 {1,S} -5 Cs u0 {1,S} -6 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 248, - label = "C/H/COCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_Sp-5C#4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 CO u0 {1,S} -4 CS u0 {1,S} {6,D} -5 Cs u0 {1,S} -6 S u0 {4,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 249, - label = "C/H/CdCd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 Cd u0 {1,S} {6,D} -3 Cd u0 {1,S} {7,D} -4 *2 H u0 {1,S} -5 Cs u0 {1,S} -6 C u0 {2,D} -7 C u0 {3,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D]} +5 C ux {4,[B,D]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 250, - label = "C/H/CdCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 Cd u0 {1,S} {6,D} -4 CS u0 {1,S} {7,D} -5 Cs u0 {1,S} -6 C u0 {3,D} -7 S u0 {4,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,D]} +5 C ux {4,[B,D]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 251, - label = "C/H/CSCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 CS u0 {1,S} {6,D} -4 CS u0 {1,S} {7,D} -5 Cs u0 {1,S} -6 S u0 {3,D} -7 S u0 {4,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,D]} +5 C ux {4,[B,D]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 252, - label = "C/H/TDMustO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 O u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 253, - label = "C/H/TDMustS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 254, - label = "C/H/ThreeDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing", group = """ -1 *1 C u0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -5 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 255, - label = "N3_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_Sp-5C=4R!H", group = """ -1 *1 [N3s,N3d] u0 {2,S} -2 *2 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 256, - label = "N3s_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 257, - label = "NH3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_4R!H-inRing", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 258, - label = "N3s_pri_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 R!H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 259, - label = "N3s/H2/NonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_Sp-5C=4R!H", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [N3s,Cs,O2s] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 260, - label = "N3s/H2/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_N-Sp-5C=4R!H", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 261, - label = "N3s/H2/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_4R!H-inRing", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 O2s u0 {1,S} +1 *1 S u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,D,T,Q]} +5 C u0 {4,[B,D,T,Q]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} """, kinetics = None, ) entry( index = 262, - label = "N3s/H2/NonDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 N3s u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {3,S} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 263, - label = "N3s/H2/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_Sp-5C=4R!H", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [Cd,Cdd,Ct,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux r0 {4,D} +6 C ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 264, - label = "N3s/H2/OneDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 H u0 {1,S} -4 [N3d,N5dc] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r0 {4,[B,T]} +6 C ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 265, - label = "N3s_sec_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C", group = """ -1 *1 N3s u0 {2,S} {3,S} {4,S} -2 *2 H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 266, - label = "N3d_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R", group = """ -1 *1 N3d u0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 R!H u0 {1,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 267, - label = "N3d/H/NonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_Sp-5C=4R!H", group = """ -1 *1 N3d u0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 [N3d,O2d,Cd] u0 {1,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 268, - label = "N3d/H/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 *2 H u0 {2,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 269, - label = "N3d/H/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing", group = """ -1 *1 N3d u0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 O2d u0 {1,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 270, - label = "N3d/H/NonDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing", group = """ -1 *1 N3d u0 {2,S} {3,D} -2 *2 H u0 {1,S} -3 N3d u0 {1,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 271, - label = "N3d/H/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_4R!H-inRing", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 Cdd u0 {1,D} {4,D} -3 *2 H u0 {1,S} -4 R!H u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 272, - label = "N3d/H/CddO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 Cdd u0 {1,D} {4,D} -3 *2 H u0 {1,S} -4 O2d u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 273, - label = "N5_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_Sp-5C=4R!H", group = """ -1 *1 [N5sc,N5dc,N5ddc,N5tc,N5b] u0 p0 c+1 {2,S} -2 *2 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 274, - label = "N5dc_H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H", group = """ -1 *1 N5dc u0 p0 c+1 {2,S} -2 *2 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 275, - label = "N5dc/H/NonDeOO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R", group = """ -1 *1 N5dc u0 p0 c+1 {2,S} {3,S} {4,D} -2 *2 H u0 {1,S} -3 O2s u0 {1,S} -4 O2d u0 {1,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 276, - label = "HCl", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_Sp-5C=4R!H", group = """ -1 *1 Cl1s u0 {2,S} -2 *2 H u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 277, - label = "Y_1centerquadrad", - group = "OR{C_quintet, C_triplet}", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", kinetics = None, ) entry( index = 278, - label = "C_quintet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing", group = """ -1 *3 C u4 p0 +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 279, - label = "C_triplet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing", group = """ -1 *3 C u2 p1 +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,S} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 280, - label = "Y_1centertrirad", - group = "OR{N_atom_quartet, N_atom_doublet, CH_quartet, CH_doublet}", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_4R!H-inRing", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r1 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} +""", kinetics = None, ) entry( index = 281, - label = "N_atom_quartet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing", group = """ -1 *3 N u3 p1 +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux r0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,S} """, kinetics = None, ) entry( index = 282, - label = "N_atom_doublet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_Sp-5C=4R!H", group = """ -1 *3 N u1 p2 +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} """, kinetics = None, ) entry( index = 283, - label = "CH_quartet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_N-Sp-5C=4R!H", group = """ -1 *3 C u3 p0 {2,S} -2 H u0 p0 {1,S} +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} """, kinetics = None, ) entry( index = 284, - label = "CH_doublet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C", group = """ -1 *3 C u1 p1 {2,S} -2 H u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {3,D} """, kinetics = None, ) entry( index = 285, - label = "Y_1centerbirad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H", group = """ -1 *3 [Cs,Cd,CO,CS,O,S,N] u2 +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} """, kinetics = None, ) entry( index = 286, - label = "O_atom_triplet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R", group = """ -1 *3 O u2 +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 287, - label = "S_atom_triplet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C", group = """ -1 *3 S u2 +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 288, - label = "CH2_triplet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R", group = """ -1 *3 Cs u2 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 289, - label = "NH_triplet", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", group = """ -1 *3 N3s u2 {2,S} -2 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} """, kinetics = None, ) entry( index = 290, - label = "Y_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", group = """ -1 *3 R u1 +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 291, - label = "H_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", group = """ -1 *3 H u1 +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} """, kinetics = None, ) entry( index = 292, - label = "Y_2centeradjbirad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", group = """ -1 *3 [Ct,O2s,S2s] u1 {2,[S,T]} -2 [Ct,O2s,S2s] u1 {1,[S,T]} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 293, - label = "O2b", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", group = """ -1 *3 O2s u1 {2,S} -2 O2s u1 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 294, - label = "S2b", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", group = """ -1 *3 S2s u1 p2 {2,S} -2 S2s u1 p2 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 295, - label = "C2b", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H", group = """ -1 *3 Ct u1 {2,T} -2 Ct u1 {1,T} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} """, kinetics = None, ) entry( index = 296, - label = "Ct_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R", group = """ -1 *3 C u1 {2,T} -2 [C,N] u0 {1,T} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 297, - label = "Ct_rad/Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C", group = """ -1 *3 Ct u1 {2,T} -2 Ct u0 {1,T} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 298, - label = "Ct_rad/N", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R", group = """ -1 *3 Ct u1 {2,T} -2 [N3t,N5tc] u0 {1,T} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 299, - label = "O_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", group = """ -1 *3 O u1 {2,S} -2 R u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} """, kinetics = None, ) entry( index = 300, - label = "O_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", group = """ -1 *3 O u1 {2,S} -2 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 301, - label = "O_sec_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", group = """ -1 *3 O u1 {2,S} -2 R!H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} """, kinetics = None, ) entry( index = 302, - label = "O_rad/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", group = """ -1 *3 O u1 {2,S} -2 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 303, - label = "O_rad/Cs\H2\Cs|H|Cs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", group = """ -1 C u0 {2,S} {3,S} {4,S} {5,S} -2 C u0 {1,S} {7,S} {8,S} {9,S} -3 Cs u0 {1,S} {6,S} {10,S} {11,S} -4 C u0 {1,S} {12,S} {13,S} {14,S} -5 H u0 {1,S} -6 *3 O u1 {3,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {3,S} -11 H u0 {3,S} -12 H u0 {4,S} -13 H u0 {4,S} -14 H u0 {4,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 304, - label = "O_rad/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", group = """ -1 *3 O u1 {2,S} -2 O u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 305, - label = "OOC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C", group = """ -1 O u0 {2,S} {3,S} -2 *3 O u1 {1,S} -3 C u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 306, - label = "O_rad/NonDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H", group = """ -1 *3 O u1 {2,S} -2 N3s u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} """, kinetics = None, ) entry( index = 307, - label = "O_rad/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R", group = """ -1 *3 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N3t,N5dc] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 308, - label = "O_rad/OneDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C", group = """ -1 *3 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 309, - label = "O_rad/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R", group = """ -1 Cd u0 {2,S} {3,D} -2 *3 O u1 {1,S} -3 [Cd,Cdd] u0 {1,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 310, - label = "O_rad/Cd\H_Cd\H2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} {6,S} -3 *3 O u1 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 311, - label = "O_rad/Cd\H_Cd\H\Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} {6,S} -3 *3 O u1 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} """, kinetics = None, ) entry( index = 312, - label = "O_rad/Cd\H_Cd\Cs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", group = """ -1 *3 O u1 {2,S} -2 Cd u0 {1,S} {3,D} {4,S} -3 Cd u0 {2,D} {5,S} {6,S} -4 H u0 {2,S} -5 Cs u0 {3,S} -6 Cs u0 {3,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 313, - label = "O_rad/Cd\Cs_Cd\H2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 Cd u0 {1,D} {5,S} {6,S} -3 *3 O u1 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 314, - label = "O_rad/Cd\Cs_Cd\H\Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", group = """ -1 *3 O u1 {2,S} -2 Cd u0 {1,S} {3,D} {4,S} -3 Cd u0 {2,D} {5,S} {6,S} -4 Cs u0 {2,S} -5 Cs u0 {3,S} -6 H u0 {3,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 315, - label = "O_rad/Cd\Cs_Cd\Cs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-6R!H->C", group = """ -1 *3 O u1 {2,S} -2 Cd u0 {1,S} {3,D} {4,S} -3 Cd u0 {2,D} {5,S} {6,S} -4 Cs u0 {2,S} -5 Cs u0 {3,S} -6 Cs u0 {3,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,D} +5 C ux {4,D} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 316, - label = "O_rad/OneDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H", group = """ -1 *3 O u1 {2,S} -2 [N3d,N3t,N5dc] u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} """, kinetics = None, ) entry( index = 317, - label = "InChI=1S/NO3/c2-1(3)4", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R", group = """ -1 *3 O2s u1 {2,S} -2 N5dc u0 {1,S} {3,D} {4,S} -3 O2d u0 {2,D} -4 O2s u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 318, - label = "S_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C", group = """ -1 *3 S u1 +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 319, - label = "S_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_6C-inRing", group = """ -1 *3 S2s u1 {2,S} -2 H u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 320, - label = "S_rad/single", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing", group = """ -1 *3 S u1 {2,S} -2 R!H u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 321, - label = "S_rad/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R", group = """ -1 *3 S2s u1 {2,S} -2 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 322, - label = "S_rad/NonDeS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C", group = """ -1 *3 S2s u1 {2,S} -2 S u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 323, - label = "S_rad/NonDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C", group = """ -1 *3 S2s u1 {2,S} -2 N u0 p1 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} """, kinetics = None, ) entry( index = 324, - label = "S_rad/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C", group = """ -1 *3 S2s u1 {2,S} -2 O u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} """, kinetics = None, ) entry( index = 325, - label = "S_rad/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C", group = """ -1 *3 S2s u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 326, - label = "S_rad/Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-6R!H->C", group = """ -1 *3 S2s u1 {2,S} -2 Ct u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,T} +5 C ux {4,T} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 327, - label = "S_rad/Cb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R", group = """ -1 *3 S2s u1 {2,S} -2 Cb u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 328, - label = "S_rad/CO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C", group = """ -1 *3 S2s u1 {2,S} -2 CO u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 329, - label = "S_rad/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R", group = """ -1 Cd u0 {2,S} {3,D} -2 *3 S2s u1 {1,S} -3 C u0 {1,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 330, - label = "S_rad/CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", group = """ -1 *3 S2s u1 {2,S} -2 CS u0 {1,S} {3,D} -3 S u0 {2,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 331, - label = "S_rad/double", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", group = """ -1 *3 S u1 p[0,1] {2,D} -2 R!H u0 {1,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} """, kinetics = None, ) entry( index = 332, - label = "S_rad/double_val4", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", group = """ -1 *3 S u1 p1 {2,D} -2 R!H u0 {1,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 333, - label = "S_rad/double_val4C", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", group = """ -1 *3 S u1 p1 {2,D} -2 C u0 {1,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 334, - label = "S_rad/double_val4N", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", group = """ -1 *3 S u1 p1 {2,D} -2 N u0 {1,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 335, - label = "S_rad/double_val4S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_N-6R!H->C", group = """ -1 *3 S u1 p1 {2,D} -2 S u0 {1,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 336, - label = "S_rad/double_val4O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_N-Sp-4R!H-3C", group = """ -1 *3 S u1 p1 {2,D} -2 O u0 {1,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux {3,D} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 337, - label = "S_rad/double_val6", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C", group = """ -1 *3 [S6d,S6dc] u1 p0 {2,D} -2 R!H u0 {1,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 338, - label = "S_rad/double_val6C", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R", group = """ -1 *3 [S6d,S6dc] u1 p0 {2,D} -2 C u0 {1,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 339, - label = "S_rad/double_val6N", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S", group = """ -1 *3 [S6d,S6dc] u1 p0 {2,D} -2 N u0 {1,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 340, - label = "S_rad/double_val6S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R", group = """ -1 *3 [S6d,S6dc] u1 p0 {2,D} -2 S u0 {1,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 341, - label = "S_rad/double_val6O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R", group = """ -1 *3 [S6d,S6dc] u1 p0 {2,D} -2 O u0 {1,D} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 342, - label = "S_rad/twoDoubles", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C", group = """ -1 *3 [S6dd,S6dc] u1 p0 {2,D} {3,D} -2 R!H u0 {1,D} -3 R!H u0 {1,D} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 343, - label = "S_rad/twoDoublesOO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_8C-inRing", group = """ -1 *3 [S6dd,S6dc] u1 p0 {2,D} {3,D} -2 O u0 {1,D} -3 O u0 {1,D} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 344, - label = "S_rad/triple", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing", group = """ -1 *3 S u1 p[0,1] {2,T} -2 R!H u0 {1,T} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 345, - label = "S_rad/triple_val4", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R", group = """ -1 *3 S u1 p1 {2,T} -2 R!H u0 {1,T} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 346, - label = "S_rad/triple_val4C", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_9R!H->C", group = """ -1 *3 S u1 p1 {2,T} -2 C u0 {1,T} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 347, - label = "S_rad/triple_val4N", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_N-9R!H->C", group = """ -1 *3 S u1 p1 {2,T} -2 N u0 {1,T} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 348, - label = "S_rad/triple_val4S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C", group = """ -1 *3 S u1 p1 {2,T} -2 S u0 p[0,1] {1,T} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 349, - label = "S_rad/triple_val6", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R", group = """ -1 *3 S u1 p0 {2,T} -2 R!H u0 {1,T} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 350, - label = "S_rad/triple_val6C", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C", group = """ -1 *3 S u1 p0 {2,T} -2 C u0 {1,T} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 351, - label = "S_rad/triple_val6N", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing", group = """ -1 *3 S u1 p0 {2,T} -2 N u0 {1,T} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 352, - label = "S_rad/triple_val6S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing", group = """ -1 *3 S u1 p0 {2,T} -2 S u0 p[0,1] {1,T} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 353, - label = "Cd_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", group = """ -1 *3 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 R u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 354, - label = "Cd_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 H u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 355, - label = "Cd_Cd\H2_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 *3 C u1 {1,D} {5,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 356, - label = "Cd_Cd\H\Cs_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_N-7R!H->C", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 *3 C u1 {1,D} {5,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 357, - label = "Cd_Cd\H\Cs|H2|Cs_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S", group = """ -1 Cs u0 {2,S} {4,S} {5,S} {6,S} -2 Cd u0 {1,S} {3,D} {7,S} -3 *3 Cd u1 {2,D} {8,S} -4 C u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {3,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 358, - label = "Cd_Cd\Cs2_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 *3 Cd u1 {1,D} {5,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 359, - label = "Cd_sec_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 R!H u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 360, - label = "Cd_rad/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 Cs u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 361, - label = "Cd_Cd\H2_rad/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R", group = """ -1 Cd u0 {2,D} {3,S} {4,S} -2 *3 Cd u1 {1,D} {5,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 362, - label = "Cd_Cd\H\Cs_rad/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C", group = """ -1 Cs u0 {3,S} {4,S} {5,S} {6,S} -2 Cd u0 {3,D} {7,S} {8,S} -3 *3 Cd u1 {1,S} {2,D} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 Cs u0 {2,S} -8 H u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 363, - label = "Cd_rad/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 O u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 R!H ux {8,T} """, kinetics = None, ) entry( index = 364, - label = "Cd_rad/NonDeS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 S u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 365, - label = "Cd_rad/NonDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 N u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 366, - label = "Cd_rad/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} """, kinetics = None, ) entry( index = 367, - label = "Cd_rad/Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 Ct u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 368, - label = "Cd_rad/Cb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 Cb u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} """, kinetics = None, ) entry( index = 369, - label = "Cd_rad/CO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} -3 CO u0 {1,S} -4 R u0 {2,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 370, - label = "Cd_rad/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {5,S} -3 Cd u0 {1,S} {4,D} -4 C u0 {3,D} -5 R u0 {2,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 371, - label = "Cd_rad/CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cd u0 {1,D} {5,S} -3 CS u0 {1,S} {4,D} -4 S u0 {3,D} -5 R u0 {2,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 372, - label = "Cd_allenic_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cdd u0 {1,D} -3 R u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 373, - label = "Cd_Cdd_rad/H", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", group = """ -1 *3 Cd u1 {2,D} {3,S} -2 Cdd u0 {1,D} -3 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} """, kinetics = None, ) entry( index = 374, - label = "Cb_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C", group = """ -1 *3 Cb u1 {2,B} {3,B} -2 [Cb,Cbf] u0 {1,B} -3 [Cb,Cbf] u0 {1,B} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 C ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 375, - label = "CO_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_7C-inRing", group = """ -1 *3 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 R u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 376, - label = "CO_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_N-7C-inRing", group = """ -1 *3 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 377, - label = "CO_sec_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 R!H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 378, - label = "CO_rad/NonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C", group = """ -1 *3 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} """, kinetics = None, ) entry( index = 379, - label = "CO_rad/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R", group = """ -1 *3 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 380, - label = "CO_rad/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 381, - label = "CS_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 R u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 382, - label = "CS_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} """, kinetics = None, ) entry( index = 383, - label = "CS_sec_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 R!H u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 384, - label = "CS_rad/NonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} """, kinetics = None, ) entry( index = 385, - label = "CS_rad/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 Cs u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 386, - label = "CS_rad/O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 O u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 387, - label = "CS_rad/S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,C,Si] ux {3,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 388, - label = "CS_rad/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 389, - label = "CS_rad/Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 Ct u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 390, - label = "CS_rad/Cb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 Cb u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 391, - label = "CS_rad/CO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 CO u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 392, - label = "CS_rad/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R", group = """ -1 *3 C u1 {2,S} {3,D} -2 Cd u0 {1,S} {4,D} -3 S u0 {1,D} -4 C u0 {2,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 393, - label = "CS_rad/CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C", group = """ -1 *3 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 CS u0 {1,S} {4,D} -4 S u0 {3,D} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 394, - label = "Cs_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 R u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} """, kinetics = None, ) entry( index = 395, - label = "C_methyl", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} """, kinetics = None, ) entry( index = 396, - label = "C_pri_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 R!H u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 397, - label = "C_rad/H2/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 398, - label = "C_rad/H2/Cs\H3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u1 {1,S} {6,S} {7,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 399, - label = "C_rad/H2/Cs\Cs2\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u1 {1,S} {6,S} {7,S} -3 C u0 {1,S} -4 [O,S] u0 {1,S} -5 C u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 R!H ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 400, - label = "C_rad/H2/Cs\H\Cs\Cs|O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u1 {1,S} {6,S} {7,S} -3 C u0 {1,S} {8,S} -4 C u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 [O,S] u0 {3,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 401, - label = "C_rad/H2/Cs\H\Cs|Cs\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u1 {1,S} {6,S} {7,S} -3 C u0 {1,S} {8,S} -4 [O,S] u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 C u0 {3,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 402, - label = "C_rad/H2/Cs\H2\Cs|Cs|O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u1 {1,S} {8,S} {9,S} -3 C u0 {1,S} {6,S} {7,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 C u0 {3,S} -7 [O,S] u0 {3,S} -8 H u0 {2,S} -9 H u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 403, - label = "C_rad/H2/Cs\H2\Cs|Cs#O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C", group = """ -1 Cs u0 {2,S} {3,S} {5,S} {6,S} -2 *3 C u1 {1,S} {7,S} {8,S} -3 C u0 {1,S} {4,S} -4 C u0 {3,S} {9,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 [O,S] u0 {4,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 404, - label = "C_rad/H2/Ct", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 405, - label = "C_rad/H2/Cb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 406, - label = "C_rad/H2/CO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 CO u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 407, - label = "C_rad/H2/CS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 CS u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 408, - label = "C_rad/H2/O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 409, - label = "C_rad/H2/S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 410, - label = "C_rad/H2/Cd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 C u0 {1,S} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 411, - label = "C_rad/H2/Cd\H_Cd\H2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {4,S} {5,S} -2 C u0 {1,S} {3,D} {6,S} -3 C u0 {2,D} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 412, - label = "C_rad/H2/Cd\Cs_Cd\H2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C", group = """ -1 C u0 {2,S} {5,S} {6,S} {7,S} -2 C u0 {1,S} {3,D} {4,S} -3 C u0 {2,D} {8,S} {9,S} -4 *3 C u1 {2,S} {10,S} {11,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {1,S} -8 H u0 {3,S} -9 H u0 {3,S} -10 H u0 {4,S} -11 H u0 {4,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 413, - label = "C_rad/H2/N", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 N u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 414, - label = "C_sec_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 415, - label = "C_rad/H/NonDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 416, - label = "C_rad/H/NonDeC_5ring_fused6_1", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C", group = """ -1 Cs u0 {3,S} {4,S} {6,S} -2 Cs u0 {4,S} {5,S} {7,S} -3 *3 C u1 {1,S} {5,S} {8,S} -4 Cs u0 {1,S} {2,S} -5 Cs u0 {2,S} {3,S} -6 Cs u0 {1,S} {7,S} -7 Cs u0 {2,S} {6,S} -8 H u0 {3,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 417, - label = "C_rad/H/NonDeC_5ring_fused6_2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {8,S} -2 Cs u0 {1,S} {4,S} {6,S} -3 Cs u0 {1,S} {5,S} {7,S} -4 Cs u0 {2,S} {5,S} -5 Cs u0 {3,S} {4,S} -6 Cs u0 {2,S} {7,S} -7 Cs u0 {3,S} {6,S} -8 H u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 418, - label = "C_rad/H/Cs\H3/Cs\H3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_N-6R!H->C", group = """ -1 Cs u0 {3,S} {4,S} {5,S} {6,S} -2 Cs u0 {3,S} {7,S} {8,S} {9,S} -3 *3 C u1 {1,S} {2,S} {10,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {3,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 419, - label = "C_rad/H/NonDeC_5ring_alpha6ring", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S", group = """ -1 Cs u0 {2,S} {3,S} {5,S} -2 Cs u0 {1,S} {4,S} {7,S} -3 *3 C u1 {1,S} {6,S} {10,S} -4 Cs u0 {2,S} {6,S} -5 C u0 {1,S} {8,S} -6 Cs u0 {3,S} {4,S} -7 C u0 {2,S} {9,S} -8 C u0 {5,S} {9,S} -9 C u0 {7,S} {8,S} -10 H u0 {3,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 420, - label = "C_rad/H/NonDeC_5ring_beta6ring", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C", group = """ -1 Cs u0 {2,S} {4,S} {6,S} -2 Cs u0 {1,S} {5,S} {7,S} -3 *3 C u1 {4,S} {5,S} {10,S} -4 Cs u0 {1,S} {3,S} -5 Cs u0 {2,S} {3,S} -6 C u0 {1,S} {8,S} -7 C u0 {2,S} {9,S} -8 C u0 {6,S} {9,S} -9 C u0 {7,S} {8,S} -10 H u0 {3,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 421, - label = "C_rad/H/Cs\H2\CO/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u1 {1,S} {6,S} {7,S} -3 [CO,CS] u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 Cs u0 {2,S} -7 H u0 {2,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 422, - label = "C_rad/H/Cs\H2\Cs/Cs\H2\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R", group = """ -1 Cs u0 {3,S} {4,S} {6,S} {7,S} -2 Cs u0 {4,S} {5,S} {11,S} {12,S} -3 C u0 {1,S} {8,S} {9,S} {10,S} -4 *3 C u1 {1,S} {2,S} {13,S} -5 [O,S] u0 {2,S} {14,S} -6 H u0 {1,S} -7 H u0 {1,S} -8 H u0 {3,S} -9 H u0 {3,S} -10 H u0 {3,S} -11 H u0 {2,S} -12 H u0 {2,S} -13 H u0 {4,S} -14 H u0 {5,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 423, - label = "C_rad/H/Cs\H\Cs\O/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C", group = """ -1 Cs u0 {2,S} {4,S} {5,S} {6,S} -2 Cs u0 {1,S} {7,S} {8,S} {9,S} -3 Cs u0 {4,S} {10,S} {11,S} {12,S} -4 *3 C u1 {1,S} {3,S} {13,S} -5 [O2s,S2s] u0 {1,S} {14,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {3,S} -11 H u0 {3,S} -12 H u0 {3,S} -13 H u0 {4,S} -14 H u0 {5,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 424, - label = "C_rad/H/Cs\H2\Cs|O/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R", group = """ -1 Cs u0 {2,S} {4,S} {6,S} {7,S} -2 C u0 {1,S} {5,S} {8,S} {9,S} -3 Cs u0 {4,S} {10,S} {11,S} {12,S} -4 *3 C u1 {1,S} {3,S} {13,S} -5 [O,S] u0 {2,S} {14,S} -6 H u0 {1,S} -7 H u0 {1,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {3,S} -11 H u0 {3,S} -12 H u0 {3,S} -13 H u0 {4,S} -14 H u0 {5,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 425, - label = "C_rad/H/NonDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 O u0 {1,S} -4 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 426, - label = "C_rad/H/CsO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} """, kinetics = None, ) entry( index = 427, - label = "C_rad/H/Cs\H2\Cs/O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", group = """ -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *3 C u1 {1,S} {6,S} {7,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {1,S} -6 H u0 {2,S} -7 O u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 428, - label = "C_rad/H/Cs\H2\Cs|H2|Cs/O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", group = """ -1 Cs u0 {2,S} {3,S} {6,S} {7,S} -2 Cs u0 {1,S} {4,S} {8,S} {9,S} -3 C u0 {1,S} {10,S} {11,S} {12,S} -4 *3 C u1 {2,S} {5,S} {13,S} -5 O u0 {4,S} {14,S} -6 H u0 {1,S} -7 H u0 {1,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {3,S} -11 H u0 {3,S} -12 H u0 {3,S} -13 H u0 {4,S} -14 H u0 {5,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 429, - label = "C_rad/H/Cs\H\Cs2/O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", group = """ -1 Cs u0 {2,S} {4,S} {5,S} {6,S} -2 *3 C u1 {1,S} {3,S} {7,S} -3 O u0 {2,S} {8,S} -4 C u0 {1,S} -5 C u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {3,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 430, - label = "C_rad/H/O2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 O u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 431, - label = "C_rad/H/NonDeS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 [Cs,S,O] u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 432, - label = "C_rad/H/CsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 433, - label = "C_rad/H/S2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 434, - label = "C_rad/H/NonDeCN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R", group = """ -1 *3 Cs u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 N u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 435, - label = "C_rad/H/NonDeON", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 O u0 {1,S} -4 N u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 436, - label = "C_rad/H/NonDeNN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C#6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 N u0 {1,S} -4 N u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} """, kinetics = None, ) entry( index = 437, - label = "C_rad/H/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S,N] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[B,D]} +7 C ux {6,[B,D]} """, kinetics = None, ) entry( index = 438, - label = "C_rad/H/OneDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[B,D]} +7 C ux {6,[B,D]} """, kinetics = None, ) entry( index = 439, - label = "C_rad/H/CtCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_N-6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[B,D]} +7 C ux {6,[B,D]} """, kinetics = None, ) entry( index = 440, - label = "C_rad/H/CbCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 441, - label = "C_rad/H/CO/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 CO u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 442, - label = "C_rad/H/CO\H/Cs\H3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_N-4CO->C", group = """ -1 Cs u0 {2,S} {4,S} {5,S} {6,S} -2 *3 C u1 {1,S} {3,S} {7,S} -3 CO u0 {2,S} {8,D} {9,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 O u0 {3,D} -9 H u0 {3,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 443, - label = "C_rad/H/CdCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 R!H ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 444, - label = "C_rad/H/CSCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 445, - label = "C_rad/H/OneDeO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 446, - label = "C_rad/H/OneDeS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_5R!H->O", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 447, - label = "C_rad/H/CtS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Ct u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 448, - label = "C_rad/H/CbS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cb u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 449, - label = "C_rad/H/CdS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 H u0 {1,S} -4 S u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 450, - label = "C_rad/H/CSS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 CS u0 {1,S} {5,D} -3 H u0 {1,S} -4 S u0 {1,S} -5 S u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 451, - label = "C_rad/H/OneDeN", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cd u0 {1,S} -4 N u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 452, - label = "C_rad/H/TwoDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H#7C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,T} +8 R!H ux {7,T} """, kinetics = None, ) entry( index = 453, - label = "C_rad/H/CtCt", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,Q,B]} +8 R!H ux {7,[S,D,Q,B]} """, kinetics = None, ) entry( index = 454, - label = "C_rad/H/CtCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_7C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Ct u0 {1,S} -4 Cb u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,Q,B]} +8 R!H ux {7,[S,D,Q,B]} """, kinetics = None, ) entry( index = 455, - label = "C_rad/H/CtCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_N-7C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Ct u0 {1,S} -4 CO u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,Q,B]} +8 R!H ux {7,[S,D,Q,B]} """, kinetics = None, ) entry( index = 456, - label = "C_rad/H/CbCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cb u0 {1,S} -4 Cb u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 [C,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 457, - label = "C_rad/H/CbCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cb u0 {1,S} -4 CO u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 458, - label = "C_rad/H/COCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 CO u0 {1,S} -4 CO u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 459, - label = "C_rad/H/CdCt", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 460, - label = "C_rad/H/CtCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Ct u0 {1,S} -4 CS u0 {1,S} {5,D} -5 S u0 {4,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 461, - label = "C_rad/H/CdCb", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 462, - label = "C_rad/H/CbCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cb u0 {1,S} -4 CS u0 {1,S} {5,D} -5 S u0 {4,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 463, - label = "C_rad/H/CdCO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 H u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 464, - label = "C_rad/H/COCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_Sp-8R!H=7C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 CO u0 {1,S} -4 CS u0 {1,S} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} """, kinetics = None, ) entry( index = 465, - label = "C_rad/H/CdCd", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_N-Sp-8R!H=7C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cd u0 {1,S} {6,D} -4 H u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[B,T]} +8 R!H ux {7,[B,T]} """, kinetics = None, ) entry( index = 466, - label = "C_rad/H/CdCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cd u0 {1,S} {5,D} -4 CS u0 {1,S} {6,D} -5 C u0 {3,D} -6 S u0 {4,D} +1 *1 S u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 467, - label = "C_rad/H/CSCS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 CS u0 {1,S} {5,D} -4 CS u0 {1,S} {6,D} -5 S u0 {3,D} -6 S u0 {4,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 468, - label = "C_ter_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 R!H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 469, - label = "C_rad/NonDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cs,O,S] u0 {1,S} -3 [Cs,O,S] u0 {1,S} -4 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 470, - label = "C_rad/Cs3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 471, - label = "C_rad/Cs2/Cs\O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} {5,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 [O,S] u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 472, - label = "C_rad/Cs3_5ring_fused6", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", group = """ -1 *3 C u1 {3,S} {4,S} {5,S} -2 Cs u0 {3,S} {6,S} {7,S} -3 Cs u0 {1,S} {2,S} -4 Cs u0 {1,S} {6,S} -5 Cs u0 {1,S} {7,S} -6 Cs u0 {2,S} {4,S} -7 Cs u0 {2,S} {5,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} """, kinetics = None, ) entry( index = 473, - label = "C_rad/Cs3_5ring_adj5", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 Cs u0 {1,S} {8,S} -5 Cs u0 {2,S} {7,S} -6 Cs u0 {2,S} {8,S} -7 Cs u0 {3,S} {5,S} -8 Cs u0 {4,S} {6,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 474, - label = "C_rad/NDMustO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 O u0 {1,S} -3 [Cs,O] u0 {1,S} -4 [Cs,O] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 475, - label = "C_rad/Cs2O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 O u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 476, - label = "C_rad/OOH/Cs/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 O u0 {1,S} {5,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O u0 {2,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 477, - label = "C_rad/O/Cs/Cs\Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S", group = """ -1 Cs u0 {2,S} {4,S} {6,S} {7,S} -2 C u0 {1,S} {8,S} {9,S} {10,S} -3 Cs u0 {4,S} {11,S} {12,S} {13,S} -4 *3 C u1 {1,S} {3,S} {5,S} -5 O u0 {4,S} {14,S} -6 H u0 {1,S} -7 H u0 {1,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {2,S} -11 H u0 {3,S} -12 H u0 {3,S} -13 H u0 {3,S} -14 H u0 {5,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 478, - label = "C_rad/CsO2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 O u0 {1,S} -3 O u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 479, - label = "C_rad/O3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 O u0 {1,S} -3 O u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 480, - label = "C_rad/NDMustS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 S u0 {1,S} -3 [Cs,S] u0 {1,S} -4 [Cs,S] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 481, - label = "C_rad/Cs2S", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 S u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 482, - label = "C_rad/CsS2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 S u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} """, kinetics = None, ) entry( index = 483, - label = "C_rad/S3", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 S u0 {1,S} -3 S u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 484, - label = "C_rad/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cs,O,S] u0 {1,S} -4 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 485, - label = "C_rad/Cs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} """, kinetics = None, ) entry( index = 486, - label = "C_rad/CtCs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 487, - label = "C_rad/CbCs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} """, kinetics = None, ) entry( index = 488, - label = "C_rad/COCs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 489, - label = "C_rad/CdCs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 490, - label = "C_rad/CSCs2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 491, - label = "C_rad/CsO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 O u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 492, - label = "C_rad/CsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 493, - label = "C_rad/CtCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,T} +6 R!H ux {5,T} """, kinetics = None, ) entry( index = 494, - label = "C_rad/CbCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 495, - label = "C_rad/CdCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 S u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 496, - label = "C_rad/CSCsS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 S u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 497, - label = "C_rad/O2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 O u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 498, - label = "C_rad/OS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 S u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} """, kinetics = None, ) entry( index = 499, - label = "C_rad/S2", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 S u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 500, - label = "C_rad/TwoDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S] u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 501, - label = "C_rad/Cs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 502, - label = "C_rad/CtCtCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 503, - label = "C_rad/CtCbCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C#5C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} """, kinetics = None, ) entry( index = 504, - label = "C_rad/CtCOCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[B,D]} +6 C ux {5,[B,D]} """, kinetics = None, ) entry( index = 505, - label = "C_rad/CbCbCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_5C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux r1 {1,[S,D,T,B,Q]} {6,[B,D]} +6 C ux {5,[B,D]} """, kinetics = None, ) entry( index = 506, - label = "C_rad/CbCOCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_N-5C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[B,D]} +6 C ux {5,[B,D]} """, kinetics = None, ) entry( index = 507, - label = "C_rad/COCOCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 508, - label = "C_rad/CdCtCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 509, - label = "C_rad/CtCSCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux {3,D} """, kinetics = None, ) entry( index = 510, - label = "C_rad/CdCbCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} """, kinetics = None, ) entry( index = 511, - label = "C_rad/CbCSCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 512, - label = "C_rad/CdCOCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CO u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 513, - label = "C_rad/COCSCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 514, - label = "C_rad/CdCdCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cs u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {6,T} +6 R!H ux {5,T} """, kinetics = None, ) entry( index = 515, - label = "C_rad/CdCSCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CS u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 516, - label = "C_rad/CSCSCs", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 517, - label = "C_rad/TDMustO", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 518, - label = "C_rad/TDMustS", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 S u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 C ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 519, - label = "C_rad/ThreeDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_N-6R!H->C", group = """ -1 *3 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,Q,B]} +6 S ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 520, - label = "N3_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C", group = """ -1 *3 [N3s,N3d] u1 +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 521, - label = "N3s_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 R u[0,1] {1,S} -3 R u0 {1,S} +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} """, kinetics = None, ) entry( index = 522, - label = "NH2_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 523, - label = "N3s_rad_pri", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 H u0 {1,S} -3 R!H u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 524, - label = "N3s_rad_sec", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 R!H u0 {1,S} -3 R!H u0 {1,S} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 525, - label = "N3d_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_5C-inRing", group = """ -1 *3 N3d u1 {2,D} -2 R!H u0 {1,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 526, - label = "N3d_rad/OneDe", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing", group = """ -1 *3 N3d u1 {2,D} -2 [Cd,Cdd] u0 {1,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 527, - label = "N3d_rad/OneDeC", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_6R!H->C", group = """ -1 *3 N3d u1 {2,D} -2 Cdd u0 {1,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 528, - label = "N3d_rad/OneDeCdd_O", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_N-6R!H->C", group = """ -1 Cdd u0 {2,D} {3,D} -2 *3 N3d u1 {1,D} -3 O2d u0 {1,D} +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 S ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 529, - label = "N5_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C", group = """ -1 *3 [N5sc,N5dc,N5tc] u1 +1 *1 S u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 530, - label = "N5dc_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R", group = """ -1 *3 N5dc u1 +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 531, - label = "Cl_rad", + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C", group = """ -1 *3 Cl1s u1 +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( - index = 532, - label = "I_rad", - group = + index = 532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R", + group = """ -1 *3 I1s u1 +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 533, - label = "HI", - group = + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_5R!H->O", + group = """ -1 *1 I1s u0 {2,S} -2 *2 H u0 {1,S} +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} """, kinetics = None, ) -tree( -""" -L1: X_H_or_Xrad_H_Xbirad_H_Xtrirad_H - L2: Xtrirad_H - L3: C_quartet_H - L3: C_doublet_H - L2: Xbirad_H - L3: CH2_triplet_H - L3: CH2_singlet_H - L3: NH_triplet_H - L3: NH_singlet_H - L2: Xrad_H - L3: C_rad_H - L4: CH3_rad_H - L4: Cs/H2/OneDeN - L3: OH_rad_H - L3: Srad_H - L3: N3s_rad_H - L4: NH2_rad_H - L4: N3s_rad_H_pri - L5: N3s_rad_H/H/NonDeN - L3: N5sc_radH - L2: X_H - L3: H2 - L3: Ct_H - L4: Ct/H/NonDeC - L4: Ct/H/NonDeN - L3: O_H - L4: O_pri - L4: O_sec - L5: O/H/NonDeC - L5: O/H/NonDeO - L6: H2O2 - L6: ROOH_pri - L6: ROOH_sec - L6: ROOH_ter - L5: O/H/NonDeN - L5: O/H/OneDe - L6: O/H/OneDeC - L6: O/H/OneDeN - L3: OSrad_O_H - L4: Orad_O_H - L4: Srad_O_H - L3: S_H - L4: S_pri - L4: S/H/single - L5: S/H/NonDeC - L5: S/H/NonDeS - L5: S/H/NonDeN - L5: S/H/NonDeO - L5: S/H/OneDe - L6: S/H/Ct - L6: S/H/Cb - L6: S/H/CO - L6: S/H/Cd - L6: S/H/CS - L4: S/H/Rad - L5: S/H/CRad - L5: S/H/SRad - L5: S/H/NRad - L5: S/H/ORad - L5: S/H/MulBondRad - L6: S/H/CORad - L6: S/H/CdRad - L6: S/H/CSRad - L4: S/H/double - L5: S/H/double_val4 - L6: S/H/double_val4C - L6: S/H/double_val4N - L6: S/H/double_val4S - L6: S/H/double_val4O - L5: S/H/double_val6 - L6: S/H/double_val6C - L6: S/H/double_val6N - L6: S/H/double_val6S - L6: S/H/double_val6O - L5: S/H/twoDoubles - L6: S/H/twoDoublesOO - L4: S/H/triple - L5: S/H/triple_val4 - L6: S/H/triple_val4C - L6: S/H/triple_val4N - L6: S/H/triple_val4S - L5: S/H/triple_val6 - L6: S/H/triple_val6C - L6: S/H/triple_val6N - L6: S/H/triple_val6S - L3: Cd_H - L4: Cd_pri - L5: Cd/H2/NonDeC - L5: Cd/H2/NonDeN - L4: Cd_sec - L5: Cd/H/NonDeC - L5: Cd/H/NonDeO - L5: Cd/H/NonDeS - L5: Cd/H/NonDeN - L5: Cd/H/OneDe - L6: Cd/H/Ct - L6: Cd/H/Cb - L6: Cd/H/CO - L6: Cd/H/Cd - L6: Cd/H/CS - L6: Cd/H/DeN - L4: Cd_allenic - L5: Cd_Cdd/H2 - L3: Cb_H - L3: CO_H - L4: CO_pri - L4: CO_sec - L5: CO/H/NonDe - L6: CO/H/Cs - L7: CO/H/Cs\Cs|Cs - L5: CO/H/OneDe - L3: CS_H - L4: CS_pri - L4: CS_sec - L5: CS/H/NonDeC - L5: CS/H/NonDeO - L5: CS/H/NonDeS - L5: CS/H/OneDe - L6: CS/H/Ct - L6: CS/H/Cb - L6: CS/H/CO - L6: CS/H/Cd - L6: CS/H/CS - L3: Cs_H - L4: C_methane - L4: C_pri - L5: C/H3/Cs - L6: C/H3/Cs\H3 - L6: C/H3/Cs\OneNonDe - L7: C/H3/Cs\H2\Cs - L8: C/H3/Cs\H2\Cs|O - L7: C/H3/Cs\H2\O - L6: C/H3/Cs\TwoNonDe - L7: C/H3/Cs\H\Cs\O - L7: C/H3/Cs\H\Cs\Cs|O - L6: C/H3/Cs\TwoDe - L7: 1_methyl_CPD - L5: C/H3/O - L5: C/H3/S - L5: C/H3/OneDe - L6: C/H3/Ct - L6: C/H3/Cb - L6: C/H3/CO - L6: C/H3/CS - L6: C/H3/Cd - L7: 2_methyl_CPD - L7: 3_methyl_CPD - L7: C/H3/Cd\H_Cd\H2 - L7: C/H3/Cd\H_Cd\H\Cs - L7: C/H3/Cd\Cs_Cd\H2 - L5: Cs/H3/NonDeN - L5: Cs/H3/OneDeN - L4: C_sec - L5: C/H2/NonDeC - L6: C/H2/Cs/Cs\O - L6: C/H2/Cs/Cs\Cs|O - L6: C/H2/NonDeC_5ring - L7: C/H2/NonDeC_5ring_fused6_1 - L7: C/H2/NonDeC_5ring_fused6_2 - L7: C/H2/NonDeC_5ring_alpha6ring - L7: C/H2/NonDeC_5ring_beta6ring - L6: C/H2/Cs\H3/Cs\H3 - L5: C/H2/NonDeO - L6: C/H2/CsO - L7: C/H2/Cs\Cs2/O - L6: C/H2/O2 - L5: C/H2/NonDeS - L6: C/H2/CsS - L5: C/H2/NonDeN - L5: C/H2/OneDe - L6: C/H2/OneDeC - L7: C/H2/CtCs - L7: C/H2/CbCs - L7: C/H2/COCs - L8: C/H2/CO\H/Cs\H3 - L7: C/H2/CdCs - L8: C/H2/Cd\H_Cd\H2/Cs\H3 - L7: C/H2/CSCs - L6: C/H2/OneDeO - L6: C/H2/OneDeS - L7: C/H2/CbS - L7: C/H2/CtS - L7: C/H2/CdS - L7: C/H2/CSS - L5: C/H2/TwoDe - L6: C/H2/CtCt - L6: C/H2/CtCb - L6: C/H2/CtCO - L6: C/H2/CbCb - L6: C/H2/CbCO - L6: C/H2/COCO - L6: C/H2/CdCt - L6: C/H2/CtCS - L6: C/H2/CdCb - L6: C/H2/CbCS - L6: C/H2/CdCO - L6: C/H2/COCS - L6: C/H2/CdCd - L6: C/H2/CdCS - L6: C/H2/CSCS - L4: C_ter - L5: C/H/NonDe - L6: C/H/Cs3 - L7: C/H/Cs2/Cs\O - L7: C/H/Cs2/Cs\Cs|O - L7: C/H/Cs3_5ring - L8: C/H/Cs3_5ring_fused6 - L8: C/H/Cs3_5ring_adj5 - L6: C/H/Cs2N - L6: C/H/NDMustO - L7: C/H/Cs2O - L7: C/H/CsO2 - L7: C/H/O3 - L6: C/H/NDMustS - L7: C/H/Cs2S - L7: C/H/CsS2 - L7: C/H/S3 - L6: C/H/NDMustOS - L7: C/H/CsOS - L5: C/H/OneDe - L6: C/H/Cs2 - L7: C/H/Cs2Ct - L7: C/H/Cs2Cb - L7: C/H/Cs2CO - L7: C/H/Cs2Cd - L7: C/H/Cs2CS - L6: C/H/CsO - L6: C/H/CsS - L7: C/H/CbCsS - L7: C/H/CtCsS - L7: C/H/CdCsS - L7: C/H/CSCsS - L6: C/H/OO - L6: C/H/OS - L6: C/H/SS - L5: C/H/TwoDe - L6: C/H/Cs - L7: C/H/CtCt - L7: C/H/CtCb - L7: C/H/CtCO - L7: C/H/CbCb - L7: C/H/CbCO - L7: C/H/COCO - L7: C/H/CdCt - L7: C/H/CtCS - L7: C/H/CdCb - L7: C/H/CbCS - L7: C/H/CdCO - L7: C/H/COCS - L7: C/H/CdCd - L7: C/H/CdCS - L7: C/H/CSCS - L6: C/H/TDMustO - L6: C/H/TDMustS - L5: C/H/ThreeDe - L3: N3_H - L4: N3s_H - L5: NH3 - L5: N3s_pri_H - L6: N3s/H2/NonDe - L7: N3s/H2/NonDeC - L7: N3s/H2/NonDeO - L7: N3s/H2/NonDeN - L6: N3s/H2/OneDe - L7: N3s/H2/OneDeN - L5: N3s_sec_H - L4: N3d_H - L5: N3d/H/NonDe - L6: N3d/H/NonDeC - L6: N3d/H/NonDeO - L6: N3d/H/NonDeN - L5: N3d/H/OneDe - L6: N3d/H/CddO - L3: N5_H - L4: N5dc_H - L5: N5dc/H/NonDeOO - L3: HCl - L3: HI -L1: Y_rad_birad_trirad_quadrad - L2: Y_1centerquadrad - L3: C_quintet - L3: C_triplet - L2: Y_1centertrirad - L3: N_atom_quartet - L3: N_atom_doublet - L3: CH_quartet - L3: CH_doublet - L2: Y_1centerbirad - L3: O_atom_triplet - L3: S_atom_triplet - L3: CH2_triplet - L3: NH_triplet - L2: Y_rad - L3: H_rad - L3: Y_2centeradjbirad - L4: O2b - L4: S2b - L4: C2b - L3: Ct_rad - L4: Ct_rad/Ct - L4: Ct_rad/N - L3: O_rad - L4: O_pri_rad - L4: O_sec_rad - L5: O_rad/NonDeC - L6: O_rad/Cs\H2\Cs|H|Cs2 - L5: O_rad/NonDeO - L6: OOC - L5: O_rad/NonDeN - L5: O_rad/OneDe - L6: O_rad/OneDeC - L7: O_rad/Cd - L8: O_rad/Cd\H_Cd\H2 - L8: O_rad/Cd\H_Cd\H\Cs - L8: O_rad/Cd\H_Cd\Cs2 - L8: O_rad/Cd\Cs_Cd\H2 - L8: O_rad/Cd\Cs_Cd\H\Cs - L8: O_rad/Cd\Cs_Cd\Cs2 - L6: O_rad/OneDeN - L7: InChI=1S/NO3/c2-1(3)4 - L3: S_rad - L4: S_pri_rad - L4: S_rad/single - L5: S_rad/NonDeC - L5: S_rad/NonDeS - L5: S_rad/NonDeN - L5: S_rad/NonDeO - L5: S_rad/OneDe - L6: S_rad/Ct - L6: S_rad/Cb - L6: S_rad/CO - L6: S_rad/Cd - L6: S_rad/CS - L4: S_rad/double - L5: S_rad/double_val4 - L6: S_rad/double_val4C - L6: S_rad/double_val4N - L6: S_rad/double_val4S - L6: S_rad/double_val4O - L5: S_rad/double_val6 - L6: S_rad/double_val6C - L6: S_rad/double_val6N - L6: S_rad/double_val6S - L6: S_rad/double_val6O - L5: S_rad/twoDoubles - L6: S_rad/twoDoublesOO - L4: S_rad/triple - L5: S_rad/triple_val4 - L6: S_rad/triple_val4C - L6: S_rad/triple_val4N - L6: S_rad/triple_val4S - L5: S_rad/triple_val6 - L6: S_rad/triple_val6C - L6: S_rad/triple_val6N - L6: S_rad/triple_val6S - L3: Cd_rad - L4: Cd_pri_rad - L5: Cd_Cd\H2_pri_rad - L5: Cd_Cd\H\Cs_pri_rad - L6: Cd_Cd\H\Cs|H2|Cs_pri_rad - L5: Cd_Cd\Cs2_pri_rad - L4: Cd_sec_rad - L5: Cd_rad/NonDeC - L6: Cd_Cd\H2_rad/Cs - L6: Cd_Cd\H\Cs_rad/Cs - L5: Cd_rad/NonDeO - L5: Cd_rad/NonDeS - L5: Cd_rad/NonDeN - L5: Cd_rad/OneDe - L6: Cd_rad/Ct - L6: Cd_rad/Cb - L6: Cd_rad/CO - L6: Cd_rad/Cd - L6: Cd_rad/CS - L4: Cd_allenic_rad - L5: Cd_Cdd_rad/H - L3: Cb_rad - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L6: CO_rad/Cs - L5: CO_rad/OneDe - L3: CS_rad - L4: CS_pri_rad - L4: CS_sec_rad - L5: CS_rad/NonDe - L6: CS_rad/Cs - L6: CS_rad/O - L6: CS_rad/S - L5: CS_rad/OneDe - L6: CS_rad/Ct - L6: CS_rad/Cb - L6: CS_rad/CO - L6: CS_rad/Cd - L6: CS_rad/CS - L3: Cs_rad - L4: C_methyl - L4: C_pri_rad - L5: C_rad/H2/Cs - L6: C_rad/H2/Cs\H3 - L6: C_rad/H2/Cs\Cs2\O - L6: C_rad/H2/Cs\H\Cs\Cs|O - L6: C_rad/H2/Cs\H\Cs|Cs\O - L6: C_rad/H2/Cs\H2\Cs|Cs|O - L6: C_rad/H2/Cs\H2\Cs|Cs#O - L5: C_rad/H2/Ct - L5: C_rad/H2/Cb - L5: C_rad/H2/CO - L5: C_rad/H2/CS - L5: C_rad/H2/O - L5: C_rad/H2/S - L5: C_rad/H2/Cd - L6: C_rad/H2/Cd\H_Cd\H2 - L6: C_rad/H2/Cd\Cs_Cd\H2 - L5: C_rad/H2/N - L4: C_sec_rad - L5: C_rad/H/NonDeC - L6: C_rad/H/NonDeC_5ring_fused6_1 - L6: C_rad/H/NonDeC_5ring_fused6_2 - L6: C_rad/H/Cs\H3/Cs\H3 - L6: C_rad/H/NonDeC_5ring_alpha6ring - L6: C_rad/H/NonDeC_5ring_beta6ring - L6: C_rad/H/Cs\H2\CO/Cs - L6: C_rad/H/Cs\H2\Cs/Cs\H2\O - L6: C_rad/H/Cs\H\Cs\O/Cs - L6: C_rad/H/Cs\H2\Cs|O/Cs - L5: C_rad/H/NonDeO - L6: C_rad/H/CsO - L7: C_rad/H/Cs\H2\Cs/O - L8: C_rad/H/Cs\H2\Cs|H2|Cs/O - L7: C_rad/H/Cs\H\Cs2/O - L6: C_rad/H/O2 - L5: C_rad/H/NonDeS - L6: C_rad/H/CsS - L6: C_rad/H/S2 - L5: C_rad/H/NonDeCN - L5: C_rad/H/NonDeON - L5: C_rad/H/NonDeNN - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L7: C_rad/H/CtCs - L7: C_rad/H/CbCs - L7: C_rad/H/CO/Cs - L8: C_rad/H/CO\H/Cs\H3 - L7: C_rad/H/CdCs - L7: C_rad/H/CSCs - L6: C_rad/H/OneDeO - L6: C_rad/H/OneDeS - L7: C_rad/H/CtS - L7: C_rad/H/CbS - L7: C_rad/H/CdS - L7: C_rad/H/CSS - L6: C_rad/H/OneDeN - L5: C_rad/H/TwoDe - L6: C_rad/H/CtCt - L6: C_rad/H/CtCb - L6: C_rad/H/CtCO - L6: C_rad/H/CbCb - L6: C_rad/H/CbCO - L6: C_rad/H/COCO - L6: C_rad/H/CdCt - L6: C_rad/H/CtCS - L6: C_rad/H/CdCb - L6: C_rad/H/CbCS - L6: C_rad/H/CdCO - L6: C_rad/H/COCS - L6: C_rad/H/CdCd - L6: C_rad/H/CdCS - L6: C_rad/H/CSCS - L4: C_ter_rad - L5: C_rad/NonDe - L6: C_rad/Cs3 - L7: C_rad/Cs2/Cs\O - L7: C_rad/Cs3_5ring_fused6 - L7: C_rad/Cs3_5ring_adj5 - L6: C_rad/NDMustO - L7: C_rad/Cs2O - L8: C_rad/OOH/Cs/Cs - L8: C_rad/O/Cs/Cs\Cs - L7: C_rad/CsO2 - L7: C_rad/O3 - L6: C_rad/NDMustS - L7: C_rad/Cs2S - L7: C_rad/CsS2 - L7: C_rad/S3 - L5: C_rad/OneDe - L6: C_rad/Cs2 - L7: C_rad/CtCs2 - L7: C_rad/CbCs2 - L7: C_rad/COCs2 - L7: C_rad/CdCs2 - L7: C_rad/CSCs2 - L6: C_rad/CsO - L6: C_rad/CsS - L7: C_rad/CtCsS - L7: C_rad/CbCsS - L7: C_rad/CdCsS - L7: C_rad/CSCsS - L6: C_rad/O2 - L6: C_rad/OS - L6: C_rad/S2 - L5: C_rad/TwoDe - L6: C_rad/Cs - L7: C_rad/CtCtCs - L7: C_rad/CtCbCs - L7: C_rad/CtCOCs - L7: C_rad/CbCbCs - L7: C_rad/CbCOCs - L7: C_rad/COCOCs - L7: C_rad/CdCtCs - L7: C_rad/CtCSCs - L7: C_rad/CdCbCs - L7: C_rad/CbCSCs - L7: C_rad/CdCOCs - L7: C_rad/COCSCs - L7: C_rad/CdCdCs - L7: C_rad/CdCSCs - L7: C_rad/CSCSCs - L6: C_rad/TDMustO - L6: C_rad/TDMustS - L5: C_rad/ThreeDe - L3: N3_rad - L4: N3s_rad - L5: NH2_rad - L5: N3s_rad_pri - L5: N3s_rad_sec - L4: N3d_rad - L5: N3d_rad/OneDe - L6: N3d_rad/OneDeC - L7: N3d_rad/OneDeCdd_O - L3: N5_rad - L4: N5dc_rad - L3: Cl_rad - L3: I_rad +entry( + index = 534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O", + group = """ +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, ) -forbidden( - label = "disprop1_OS_rad", +entry( + index = 535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", group = """ -1 *1 [C,N] u0 {2,S} {3,S} -2 [O,S] u1 {1,S} -3 *2 H u0 {1,S} -""", - shortDesc = u"""""", - longDesc = -u""" -This group forbids `H[C,N][O,S].`, where the radical site is O or S, but the non-rad site isn't O or S. +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {5,T} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,T} """, + kinetics = None, ) -forbidden( - label = "disprop1_base_case", +entry( + index = 536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", group = """ -1 *1 R u0 {2,S} {3,S} -2 [C,N] u1 {1,S} -3 *2 H u0 {1,S} -""", - shortDesc = u"""""", - longDesc = -u""" -Generally, we'd like to forbid `HR[R.]` from reacting here (`.` marks a radical), since this is a disprop reaction. -However, the following specific cases must not be forbidden here: `HO2`, `HSS`, `HOS`, `HSO` -(since they form the ground state triplets O2, S2, and SO). -This group forbids `HR[C,N].`, where the radical site isn't O or S +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {5,[B,D]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[B,D]} """, + kinetics = None, ) -forbidden( - label = "disprop1_hyperS_H", +entry( + index = 537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_4C-inRing", group = """ -1 *1 S u0 p[0,1] {2,S} {3,S} -2 [O,S] u1 {1,S} -3 *2 H u0 {1,S} -""", - shortDesc = u"""""", - longDesc = -u""" -This group forbids `H[S p0,1][O,S].`, where hypervalance S is allowed at the H site +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {5,[B,D]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[B,D]} """, + kinetics = None, ) -forbidden( - label = "disprop1_hyperS_rad", +entry( + index = 538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing", group = """ -1 *1 [O,S] u0 {2,S} {3,S} -2 S u1 p[0,1] {1,S} -3 *2 H u0 {1,S} -""", - shortDesc = u"""""", - longDesc = -u""" -This group forbids `H[O,S][S p0,1].`, where hypervalance S is allowed at the rad site +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {5,[B,D]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[B,D]} """, + kinetics = None, ) -forbidden( +entry( + index = 539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_5BrCClFINPSSi->C", + group = +""" +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {5,[B,D]} +5 C ux {4,[B,D]} +""", + kinetics = None, +) + +entry( + index = 540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_N-5BrCClFINPSSi->C", + group = +""" +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {5,[B,D]} +5 S ux {4,[B,D]} +""", + kinetics = None, +) + +entry( + index = 541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_N-4R!H->C", + group = +""" +1 *1 S u0 {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0", + group = +""" +1 *1 S u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0_Ext-3C-R", + group = +""" +1 *1 S u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 Cl ux {3,S} +""", + kinetics = None, +) + +entry( + index = 548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_6R!H->Cl", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_N-6R!H->Cl", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O,F] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} +4 F ux {3,S} +5 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,S} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_7R!H->Cl", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [Br,F] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Br ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br_Ext-5C-R", + group = +""" +1 *1 F u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 F u0 r0 {3,S} +5 C u0 r0 {3,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 F u0 r0 {3,S} +7 F u0 r0 {5,S} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} +4 F ux {3,S} +5 R!H ux {3,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} +4 F ux {3,S} +5 R!H ux {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 F u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 F u0 r0 {3,S} +5 C u0 r0 {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_5R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,S} +4 F ux {3,S} +5 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_N-5R!H->C", + group = +""" +1 *1 F u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 F ux {3,S} +5 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[B,D,T,Q]} +4 F ux {3,S} +5 R!H ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_5R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[B,D,T,Q]} +4 F ux {3,S} +5 C ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_N-5R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[B,D,T,Q]} +4 F ux {3,S} +5 [O,F] ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {6,[S,D,T,B,Q]} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-4BrCO-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {6,[S,D,T,B,Q]} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {6,[S,D,T,B,Q]} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {6,[S,D,T,B,Q]} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R_Ext-6C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {6,[S,D,T,B,Q]} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_N-6R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {6,[S,D,T,B,Q]} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R_Ext-4BrCO-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_5BrClFINOPSSi->O", + group = +""" +1 *1 F u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,S} +5 O u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_N-5BrClFINOPSSi->O", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [C,Br,O] ux {3,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 [Br,C] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} +4 [Br,C] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [Br,C] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_4BrC->Br", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 Br ux {3,S} +""", + kinetics = None, +) + +entry( + index = 600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_N-4BrC->Br", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_5R!H->Br", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Br ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_N-5R!H->Br", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [C,O,F] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_N-Sp-4C=3C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,T} +4 C ux {3,T} +""", + kinetics = None, +) + +entry( + index = 609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C", + group = +""" +1 *1 F u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 [Br,O,F,Cl] ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +""", + kinetics = None, +) + +entry( + index = 614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +""", + kinetics = None, +) + +entry( + index = 615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +""", + kinetics = None, +) + +entry( + index = 616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_5R!H->C", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_N-5R!H->C", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_4R!H->N", + group = +""" +1 *1 O u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,T} +4 N u0 r0 {3,T} +""", + kinetics = None, +) + +entry( + index = 620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_N-4R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C ux {3,T} +""", + kinetics = None, +) + +entry( + index = 621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +""", + kinetics = None, +) + +entry( + index = 622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +""", + kinetics = None, +) + +entry( + index = 623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_Sp-5R!H=1BrBrCCClClHHIINN", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 R!H ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN_Ext-1BrCClHIN-R", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 R!H ux {3,T} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 N ux {3,T} +""", + kinetics = None, +) + +entry( + index = 629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_1BrCClHIN->H", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,T} +4 N u0 r0 {3,T} +""", + kinetics = None, +) + +entry( + index = 630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H", + group = +""" +1 *1 [N,C,Cl] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 N ux {3,T} +""", + kinetics = None, +) + +entry( + index = 631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_1CClN->N", + group = +""" +1 *1 N u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 N ux {3,T} +""", + kinetics = None, +) + +entry( + index = 632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_N-1CClN->N", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 N ux {3,T} +""", + kinetics = None, +) + +entry( + index = 633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N", + group = +""" +1 *1 [N,I,Br,Cl,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C ux {3,T} +""", + kinetics = None, +) + +entry( + index = 634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_1BrCClHIN->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C ux {3,T} +""", + kinetics = None, +) + +entry( + index = 635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C ux {3,T} +""", + kinetics = None, +) + +entry( + index = 636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C u0 {3,T} +""", + kinetics = None, +) + +entry( + index = 637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_1CHN->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C u0 {3,T} +""", + kinetics = None, +) + +entry( + index = 638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C u0 {3,T} +""", + kinetics = None, +) + +entry( + index = 639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C u0 {3,T} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_N-4C-u0", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,T} +4 C u1 {3,T} +""", + kinetics = None, +) + +entry( + index = 641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D]} +4 R!H ux {3,[S,D]} +""", + kinetics = None, +) + +entry( + index = 642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C_Ext-4C-R", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 C ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R_Ext-4C-R", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {6,S} +4 C u0 r0 {3,D} {7,S} +5 O u0 r0 {1,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-4C-R", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {6,S} +5 O u0 r0 {1,S} +6 C u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F_Ext-3C-R", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_N-6R!H->F", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +6 [N,P,I,Br,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_6R!H->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_5R!H->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 Br ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 [C,F,Cl] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_5CClF->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_N-5CClF->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_5R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 [Br,C,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [F,Cl] ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [F,Cl] ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O", + group = +""" +1 *1 [N,Br,Cl,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R", + group = +""" +1 *1 [N,Br,Cl,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_6R!H->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 F ux {3,[S,D,T,B,Q]} +6 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 F ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 [C,S,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_6R!H->S", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {6,D} +6 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [C,F] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_Sp-6CF=5C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_N-Sp-6CF=5C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_N-5CClS->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_Sp-6R!H#1BrBrBrCCCClClClNNN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,T} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,T} +""", + kinetics = None, +) + +entry( + index = 714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,[S,D,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,B]} +""", + kinetics = None, +) + +entry( + index = 715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,D} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 C ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_N-Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_N-Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_N-Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 S ux {5,[S,D,T,B,Q]} +9 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {5,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_N-Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {5,D} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_N-9R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {1,S} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +""", + kinetics = None, +) + +entry( + index = 792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {5,T} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {5,D} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {5,D} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {5,D} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {5,T} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {5,T} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {5,T} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux r0 {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,T} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 S ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,D} +7 R!H ux {6,D} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 R!H ux {5,[S,D,T,B,Q]} +9 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 R!H ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,D} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,D} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,T} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,T} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 S ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,T} +7 R!H ux {6,T} +8 S ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {1,S} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 R!H ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} {11,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_N-Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_N-Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,[S,T,Q,B]} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,[S,T,Q,B]} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,D} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,T} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux r0 {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,T} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {5,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {5,D} +""", + kinetics = None, +) + +entry( + index = 904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,D} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {5,D} +""", + kinetics = None, +) + +entry( + index = 906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,T} +""", + kinetics = None, +) + +entry( + index = 909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,T} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,T} +""", + kinetics = None, +) + +entry( + index = 911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 S ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,T} +7 R!H ux {6,T} +8 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,D} +7 R!H ux {6,D} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,T} +7 R!H ux {6,T} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 {3,D} +5 C u0 {3,S} {9,[S,D,T,B,Q]} +6 C u0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +10 C u0 {1,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {5,D} +10 C u0 r1 {1,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {5,T} +10 C u0 r1 {1,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 {3,D} +5 C u0 {3,S} {9,[S,D,T,B,Q]} +6 C u0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} {12,S} +12 C u0 {11,S} +""", + kinetics = None, +) + +entry( + index = 952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +10 C u0 r1 {1,S} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} {12,S} +12 C u0 r1 {11,S} +""", + kinetics = None, +) + +entry( + index = 953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r0 {5,T} +10 C u0 r1 {1,S} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} {12,S} +12 C u0 r1 {11,S} +""", + kinetics = None, +) + +entry( + index = 954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 C ux r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {5,D} +10 R!H ux {8,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,T} +6 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,T} +6 C ux r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {5,T} +10 R!H ux {8,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r1 {1,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r1 {1,S} {10,S} +10 C u0 r1 {9,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-1BrCClN-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_N-1BrCClN-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,D} +6 C ux r1 {1,S} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,T} +6 C ux r1 {1,S} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {5,T} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,D} +6 C ux r1 {1,S} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u[0,1] r1 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,T} +6 C ux r1 {1,S} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 {3,D} +5 C u0 {3,S} +6 C u0 {1,S} {7,S} +7 C u0 {6,S} +""", + kinetics = None, +) + +entry( + index = 971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-1BrCClN-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,S} +7 C u0 r1 {6,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-1BrCClN-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 {1,S} {7,S} +7 C u0 {6,S} +""", + kinetics = None, +) + +entry( + index = 973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,T} +6 C ux {1,S} +7 C ux {5,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C ux {1,S} +7 C u0 r0 {5,D} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C ux {1,S} +7 C u0 r0 {5,T} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 S u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 S u0 r0 {5,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C ux {1,S} +7 S u0 r0 {5,D} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 S u0 r0 {5,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 S u0 r0 {5,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 S u0 r0 {5,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_Sp-7C-1BrCClN", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C ux {1,S} +7 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_N-Sp-7C-1BrCClN", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_Sp-7S-1BrCClN", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_N-Sp-7S-1BrCClN", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,D} +6 S ux {1,S} +7 C ux {5,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,S} +7 C u0 r0 {5,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,S} +7 C u0 r0 {5,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,T} +6 S ux {1,S} +7 C ux {5,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 S u0 r0 {1,S} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 S u0 r0 {1,S} +7 C u0 r0 {5,T} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,S} +7 S ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,S} +7 S u0 r0 {5,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,S} +7 S u0 r0 {5,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,D} +6 S ux {1,S} +7 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,S} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,S} +7 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 S u0 r0 {1,S} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C ux {1,S} +7 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 S u0 r0 {1,S} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-1BrCClN-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 1068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,D} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,D} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,D} +7 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,D} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,D} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 S u0 r0 {1,D} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,D} +7 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,[S,D,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,B]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 [N,C,Br,Cl] u[0,1] {2,S} {6,[S,D,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {7,D} +6 R!H ux {1,[S,D,B]} +7 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_7R!H->C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r1 {1,B} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_N-7R!H->C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r1 {1,B} +7 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r1 {1,B} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_5R!H->C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 1090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-5R!H->C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 1091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {6,D} +6 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 C u0 r0 {3,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 C u0 r0 {3,D} +5 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 1099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_5R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 1114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {9,[S,D,T,B,Q]} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {9,D} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 1120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +""", + kinetics = None, +) + +entry( + index = 1122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} +""", + kinetics = None, +) + +entry( + index = 1124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {9,D} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 S u0 r0 {1,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {4,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 S u0 r0 {1,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 1132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} +""", + kinetics = None, +) + +entry( + index = 1134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,D} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,D} +6 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 S u0 r0 {1,D} +6 S u0 r0 {1,S} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 S u0 r0 {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 S u0 r0 {1,S} +6 C u0 r0 {1,D} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {6,D} +5 S u0 r0 {1,S} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {6,D} +5 S u0 r0 {1,D} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_6R!H->Br", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 Br ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 [C,O,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_8R!H->Cl", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 Cl ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_8BrCFINOPSSi->Br", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 Br ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_N-8BrCFINOPSSi->Br", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [C,F] ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_8BrCFINOPSSi->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_N-8BrCFINOPSSi->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [Br,F] ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_8R!H->F", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_N-8R!H->F", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [N,P,I,Br,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 [Br,O,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_6BrFO->O", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_N-6BrFO->O", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_8R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_8R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_Sp-7R!H=6C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 1216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_N-Sp-7R!H=6C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 R!H ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_8R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_N-8R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 R!H ux {4,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_N-7R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 R!H ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 F ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_5BrCO->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {6,S} +6 F ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_N-5BrCO->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 O ux {1,[S,D,T,B,Q]} {6,S} +6 F ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 [C,O] ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_N-1BrCHN-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,S} +6 O u0 r0 {5,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {6,S} +6 C ux {5,S} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {6,S} +6 C ux {5,S} {8,S} +7 C ux {1,[S,D,T,B,Q]} +8 C u0 {6,S} {9,[S,D,T,B,Q]} +9 C ux {1,S} {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN_Ext-5BrCO-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} {6,S} {10,[S,D,T,B,Q]} +6 C ux r1 {5,S} {8,S} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C u0 r1 {6,S} {9,[S,D,T,B,Q]} +9 C ux r1 {1,S} {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-9R!H-R_Ext-5BrCO-R", + group = +""" +1 *1 C u0 r1 {2,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} {6,S} {11,[S,D,T,B,Q]} +6 C u0 r1 {5,S} {8,S} +7 C u0 r1 {1,S} +8 C u0 r1 {6,S} {9,S} +9 C u0 r1 {8,S} {10,S} +10 C u0 r1 {9,S} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-5BrCO-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} {6,S} {10,[S,D,T,B,Q]} +6 C ux r1 {5,S} {8,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->O", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 O ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,S} {6,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,S} {6,S} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R_Ext-5BrCO-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,D} {6,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,D} {6,S} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {9,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {9,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {4,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {9,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {9,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {4,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,S} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} +8 C u0 r0 {4,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 R!H ux {1,S} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} +8 C u0 r0 {4,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,S} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {1,S} +8 C u0 r0 {4,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,D} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,D} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,[S,D,T,B,Q]} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,[B,D,T,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,S} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,[B,D,T,Q]} +8 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 1284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C_Ext-8R!H-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {8,S} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +7 R!H ux {1,[B,D,T,Q]} +8 R!H ux {4,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_N-Sp-8R!H-4C", + group = +""" +1 *1 C u0 r1 {2,S} {5,B} {7,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r1 {1,B} {6,B} +6 C u0 r1 {5,B} +7 C u0 r1 {1,B} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,S} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,S} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-6C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,S} {6,D} +6 C ux {5,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,S} {6,T} +6 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 1291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[B,D]} {6,[B,D,T,Q]} +6 C ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 C u0 r0 {1,D} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 [S,O,F,Cl] ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 [S,O,F,Cl] ux {5,[B,D,T,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 [S,O,F,Cl] ux {5,[B,D,T,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 [S,O,F,Cl] ux {5,[B,D,T,Q]} +7 R!H ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {9,D} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +7 C u0 r0 {1,S} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [C,Br,O] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 [S,O,F,Cl] ux {5,[B,D,T,Q]} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {8,D} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +7 C u0 r0 {1,D} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 O ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_Sp-5O-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 O ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_N-Sp-5O-1BrCHN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 O ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [Br,C] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [Br,C] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [Br,C] ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,[S,D,T,B,Q]} +5 [Br,C] ux {1,D} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,S} +5 [Br,C] ux {1,D} +6 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 1314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {6,S} {7,[S,D,T,B,Q]} +5 [Br,C] ux {1,D} +6 R!H ux {4,S} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_N-Sp-6R!H-4C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {6,D} +5 C u0 r0 {1,D} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 [Br,C] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_5BrC->Br", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 Br ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R", + group = +""" +1 *1 [N,C,Br,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {7,[S,D,T,B,Q]} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {7,D} +5 C u0 r0 {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 r0 {4,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-1BrCHN-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {6,D} +5 C u0 r0 {1,S} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 1324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C", + group = +""" +1 *1 [N,Br,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 1332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_5R!H->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 Br ux {4,S} +""", + kinetics = None, +) + +entry( + index = 1333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 [C,F,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 1334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 1335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_6R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_N-6R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_N-5CClF->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,S} +5 [C,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 1339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H", + group = +""" +1 *1 [N,Br] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N", + group = +""" +1 *1 N u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N_Ext-4C-R", + group = +""" +1 *1 N u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_N-1BrN->N", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,F,Br,Cl,O,S] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 1357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,D} +7 S ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,D} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,D} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 S ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 S ux {1,D} +7 S ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,D} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 S u0 r0 {1,D} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r1 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r1 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_Sp-10R!H=5C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {10,D} +6 C u0 r1 {1,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_N-Sp-10R!H=5C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {10,T} +6 C u0 r1 {1,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,D} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {10,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,T} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,T} +""", + kinetics = None, +) + +entry( + index = 1439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {10,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,D} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {10,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {5,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {10,T} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,T} +""", + kinetics = None, +) + +entry( + index = 1444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {10,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {5,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C ux {1,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C ux {1,[S,D,T,B,Q]} +9 C u0 r0 {5,T} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {5,D} +10 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {5,T} +10 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {1,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {1,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux r1 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {5,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux r0 {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux r0 {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,S} +9 C u0 r0 {5,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {5,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux {1,[S,T,Q,B]} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,D} +6 R!H ux {1,[S,T,Q,B]} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {5,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,S} +9 C u0 r0 {5,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {5,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {5,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {1,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 C u0 r0 {5,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {5,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[B,D]} +7 R!H ux {6,[B,D]} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[B,T]} +7 R!H ux {6,[B,T]} +8 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 C ux {6,D} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 C ux {6,D} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 S ux {6,D} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_1BrCClHINOPSSi-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 1534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 R!H ux {6,T} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,T} +7 C ux {6,T} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 1551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,D} +7 C ux {6,D} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 1555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,T} +7 C ux {6,T} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 1560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 1561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 S ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 1567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 1570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 1571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,D} +6 S u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-9R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {9,T} +6 S u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 S u0 r0 {1,S} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 S u0 r0 {1,S} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 S u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {5,T} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C_Ext-1BrCClHINOPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 1609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 S ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 C u0 r0 {3,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_N-5R!H->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 S u0 r0 {3,D} +5 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 1615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {1,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 S ux {1,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,T} +6 S ux {1,S} +7 R!H ux {5,T} +""", + kinetics = None, +) + +entry( + index = 1623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,T} +6 S u0 r0 {1,S} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[B,D]} +6 S ux {1,S} +7 R!H ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 1625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[B,D]} +6 S ux {1,S} +7 R!H ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 1626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[B,D]} +6 S ux {1,S} +7 R!H ux {5,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[B,D]} +6 S ux {1,S} +7 C ux {5,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 S u0 r0 {1,S} +7 S u0 r0 {5,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 S u0 r0 {1,S} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 S u0 r0 {1,S} +7 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r1 {1,S} {7,B} +6 S u0 r0 {1,S} +7 C u0 r1 {5,B} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,S} {8,[S,D,T,B,Q]} +7 R!H ux {5,D} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {5,D} +8 C u0 r0 {6,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,S} {8,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,T} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {5,T} +8 C u0 r0 {6,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,S} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 1640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {1,S} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,S} +7 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 1642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,T} +6 C u0 r0 {1,S} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r1 {1,S} {7,B} +6 C u0 r0 {1,S} +7 C u0 r1 {5,B} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,S} +7 S ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {1,S} +7 S u0 r0 {5,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_N-6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} +6 C ux {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,S} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C ux {1,S} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C", + group = +""" +1 *1 C u[0,1] {2,S} {5,D} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,D} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,D} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,D} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u[0,1] {2,S} {5,D} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,D} +6 R!H ux {1,S} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 1655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 1656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 1657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 1658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,D} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[S,D,T,B,Q]} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 1661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {5,B} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r1 {1,B} +6 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 1662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {5,[S,D,T,B,Q]} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 1663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {5,[S,D,T,B,Q]} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[B,D]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 S u0 r0 {1,D} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_N-Sp-7R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {7,T} +6 S u0 r0 {1,D} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,D]} {6,[S,D]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 S u0 r0 {1,[S,D]} +6 S u0 r0 {1,[S,D]} +""", + kinetics = None, +) + +entry( + index = 1667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_5R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 1671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_Sp-6C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_N-Sp-6C=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 1674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 R!H ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 1678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {5,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 S ux {3,D} +5 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 1679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 C u0 r0 {1,D} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +5 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_N-1BrCClHINOPSSi->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 S u0 r0 {3,D} +""", + kinetics = None, +) + +entry( + index = 1682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_5R!H->C", + group = +""" +1 *1 Cl u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 O u0 r0 {3,D} +5 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 1686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 Cl u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {5,S} +4 O u0 r0 {3,D} +5 Cl u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 1687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl", + group = +""" +1 *1 [N,Br,O,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_4NO->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 R!H ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 R!H ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_6R!H->Br", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 Br ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 [C,F,Cl] ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 [C,F,Cl] ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 [C,F,Cl] ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_6CClF->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 F ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {9,[S,D,T,B,Q]} +6 F ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 F ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} +6 [C,F,Cl] ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 [C,F,Cl] ux {5,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 Cl ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 Cl ux {5,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} +6 [Br,C,F] ux {5,S} +""", + kinetics = None, +) + +entry( + index = 1726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 [Br,C,F] ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_6BrCF->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 O u0 r0 {3,D} +5 C u0 r0 {1,S} {6,S} {7,D} +6 C u0 r0 {5,S} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 1728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 F ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 F ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_N-Sp-6R!H-5BrCFINOPSSi", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,S} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} +4 O u0 r0 {3,D} +5 C u0 r0 {1,S} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_6BrClFINOPSSi->O", + group = +""" +1 *1 C u0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,S} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_N-6BrClFINOPSSi->O", + group = +""" +1 *1 C u0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,S} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 1746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,D} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {1,D} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [Br,S,O,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [Br,S,O,F] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [Br,S,O,F] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 O ux {3,D} +5 [Br,S,O,F] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 O ux {3,D} +5 [Br,S,O,F] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_N-8R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 O ux {3,D} +5 [Br,S,O,F] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 O ux {3,D} +5 [Br,S,O,F] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +5 [Br,O] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 O ux {3,D} +5 [Br,O] ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_N-1C-u0", + group = +""" +1 *1 C u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C", + group = +""" +1 *1 [N,O,Br,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br_Ext-3C-R", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 R!H u0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H u0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H u0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_1HNO->N", + group = +""" +1 *1 N u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 O u0 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 O u0 {1,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {6,S} +4 O u0 r0 {3,D} +5 O u0 r0 {1,S} +6 C u0 r0 {3,S} {7,S} +7 C u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 1782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_N-6R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 O u0 {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 [Br,C,Cl] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_5BrCCl->C", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 [Br,Cl] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_Ext-3C-R", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 [Br,Cl] u0 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_5BrCl->Br", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 Br u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_N-5BrCl->Br", + group = +""" +1 *1 O u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 Cl u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +5 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H u[1,2,3] {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_6R!H->C", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,D} {6,S} +4 O u0 r0 {3,D} +5 O u1 r0 {1,S} +6 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 1792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_N-6R!H->C", + group = +""" +1 *1 [N,O,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H u[1,2,3] {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0", + group = +""" +1 *1 [N,O,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_4NO->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_5R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_4NO->N", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 O ux {3,D} +""", + kinetics = None, +) + +entry( + index = 1818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_5R!H->F", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C", + group = +""" +1 *1 [N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 O ux {3,D} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 1825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 1826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_5R!H->Cl", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [Br,F] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_5BrF->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Br ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_7R!H->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 Br ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_7CClFINOPSSi->Cl", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_N-7CClFINOPSSi->Cl", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 F ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_N-6R!H->C", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br", + group = +""" +1 *1 [O,C,Cl,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R", + group = +""" +1 *1 [O,C,Cl,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_9R!H->Br", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_N-5R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_5R!H->O", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [C,F] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_8R!H->O", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 O ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 [Br,F,Cl] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_8BrClF->Br", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 Br ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 [F,Cl] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 [F,Cl] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_8ClF->Cl", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 Cl ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_N-8ClF->Cl", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +8 F ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_N-5CF->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_8R!H->Br", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +8 Br ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +8 [F,Cl] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +8 [F,Cl] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_8ClF->Cl", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +8 Cl ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_N-8ClF->Cl", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +8 F ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_N-5R!H->C", + group = +""" +1 *1 O u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [O,F] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_6R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [Br,C,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_6BrCCl->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Br ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_7R!H->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 O ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_7BrCClFINPSSi->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 Br ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [F,Cl] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 [F,Cl] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 [F,Cl] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_7ClF->Cl", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_N-7ClF->Cl", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 F ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_N-6CCl->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_N-5R!H->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [Br,C,Cl] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_6R!H->F", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_N-6R!H->F", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [Br,C,F] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_7R!H->Br", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Br ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [F,Cl] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [F,Cl] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_7ClF->Cl", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_N-7ClF->Cl", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_N-5BrCF->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O", + group = +""" +1 *1 [C,Cl,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_6R!H->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_N-6R!H->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 [Br,C,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [Br,C,F] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [Br,F] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Br ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [Br,F] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_5BrF->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 Br ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_N-5BrF->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_9R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 [Br,F] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_9BrF->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_N-9BrF->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 [O,F] ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_9R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 [O,F] ux {1,[S,D,T,B,Q]} +9 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 [O,F] ux {1,[S,D,T,B,Q]} +9 [Br,F] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_9BrF->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 [O,F] ux {1,[S,D,T,B,Q]} +9 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_N-9BrF->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 [O,F] ux {1,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_N-8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +9 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_9CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_N-9CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_9CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +9 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_N-9CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 1954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_8R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} +8 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} +8 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} +8 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} +8 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 1959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_8BrClFINOPSSi->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 [F,Cl] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 [F,Cl] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 [F,Cl] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_8ClF->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 Cl ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_N-8ClF->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[B,D,T,Q]} +8 F ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_8R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +8 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_8CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +8 Cl ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_N-8CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +8 F ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_10R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_10CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 F ux {5,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 F ux {5,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +12 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_9R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 F ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_8R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_8BrCFINOPSSi->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 Br ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_N-8BrCFINOPSSi->Br", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 F ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_7R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Br ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_7CClFINOPSSi->Cl", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_N-7CClFINOPSSi->Cl", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_7R!H->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_N-7R!H->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [Br,F,Cl] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Br ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Br ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_8R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[S,D,T,B,Q]} +8 Br ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[S,D,T,B,Q]} +8 [C,F,Cl] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[S,D,T,B,Q]} +8 F ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[S,D,T,B,Q]} +8 F ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_N-8CClF->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_9R!H->O", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_8R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 Cl ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 [Br,F] ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 [Br,F] ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 [Br,F] ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +12 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_8BrF->Br", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 Br ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +12 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_N-8BrF->Br", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 F ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +12 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_N-9BrCClFINPSSi->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [C,Cl] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_9BrCClFINPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_N-9BrCClFINPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 F ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_8R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 [Br,F,Cl] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 [Br,F,Cl] ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 [Br,F,Cl] ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_8BrClFINOPSSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [F,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [F,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [F,Cl] ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_N-6ClF->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Cl ux {3,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 [F,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 [C,Br,O,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 [C,Br,O,Cl] ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 [C,Br,O,Cl] ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_8R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_N-8R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 [O,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_N-7BrCClO->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 [O,Cl] ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_Sp-7O-1C", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_N-Sp-7O-1C", + group = +""" +1 *1 C u[0,1] {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 [Br,C,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_7BrCCl->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 [Br,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_7BrCl->Br", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 Br ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_N-7BrCl->Br", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {3,[S,D,T,B,Q]} +7 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_6ClF->F", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_N-6ClF->F", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_6R!H->F", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 [Br,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_6BrCl->Br", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Br ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_N-6BrCl->Br", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_N-5BrClF->F", + group = +""" +1 *1 [C,Cl] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 F ux {3,S} +5 [Br,Cl] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_6R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_Sp-6O-1C", + group = +""" +1 *1 C u[0,1] {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 O ux {1,D} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 O ux {1,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 O ux {1,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [C,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_9R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 Br ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Cl,O,C,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_9CClFINOPSSi->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 Cl ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 F ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 F ux {7,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 F ux {7,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_7R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-6C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 C u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_6R!H->C", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_N-5R!H->C", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [O,Cl,H] u[0,1] {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_N-5R!H->C", + group = +""" +1 *1 O u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 F u0 r0 {3,S} +5 F u0 r0 {3,S} +6 O u1 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_1ClHO->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl", + group = +""" +1 *1 [O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_N-5R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_N-5R!H->C", + group = +""" +1 *1 O u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 F u0 r0 {3,S} +5 F u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 2176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_N-5R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 F ux {3,S} +5 F ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_1BrCClHINOPSSi->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl", + group = +""" +1 *1 [O,Br,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_1BrCHO->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_1CHO->O", + group = +""" +1 *1 O u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_N-1CHO->O", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O u0 {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_N-5O-u0", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 O u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Br", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 Br ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 [F,Cl] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 [F,Cl] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_7ClF->Cl", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 F ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 F ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 [F,Cl] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 [F,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C_Ext-1CHO-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 F ux {1,S} +6 [F,Cl] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_N-5BrCClFINPSSi->F", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [C,Cl] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_6R!H->O", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} +6 O ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R", + group = +""" +1 *1 [O,C,H] u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_1CHO->O", + group = +""" +1 *1 O u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_N-1CHO->O", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_1CHO->O", + group = +""" +1 *1 O u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_N-1CHO->O", + group = +""" +1 *1 C u[0,1] {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} {6,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_1CHO->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C", + group = +""" +1 *1 [O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0", + group = +""" +1 *1 [O,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_1HO->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 F ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_N-1HO->O", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 F u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 2231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_N-1HO-u0", + group = +""" +1 *1 O u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 F u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 2232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl,C,O,S] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_4BrCClNOS->O", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_N-4BrCClNOS->O", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [Br,C] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C_Ext-4C-R", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [Br,O] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_4BrO->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_N-4BrO->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br", + group = +""" +1 *1 [N,I,Cl,C,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->F", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->F", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-3C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R_Ext-4O-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-4O-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_4C-inRing", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_N-4C-inRing", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_4C-inRing", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-5R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-8C-R_Ext-8C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_Sp-5R!H#4C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,T} +5 R!H ux {4,T} +""", + kinetics = None, +) + +entry( + index = 2277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 R!H ux {4,D} +""", + kinetics = None, +) + +entry( + index = 2279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} {6,[S,D,T,B,Q]} +5 R!H ux {4,D} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} +5 R!H ux {4,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} +5 R!H ux {4,[S,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} +5 R!H ux {4,[S,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_4C-inRing", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[S,B]} +5 R!H ux {4,[S,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,B]} +5 R!H ux {4,[S,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,B]} +5 R!H ux {4,[S,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,B]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,B]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {4,[S,B]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} {6,[S,D,T,B,Q]} +5 [O,Cl] ux {4,[S,B]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C_Ext-4C-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [O,Cl] ux {4,[S,B]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_5R!H->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} +5 Cl ux {4,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} +5 [C,O] ux {4,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_5CO->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} +5 C ux {4,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_N-5CO->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,B]} +5 O ux {4,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl", + group = +""" +1 *1 [N,I,C,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_5R!H-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 S u0 r0 {3,S} +5 C u0 r1 {3,S} {7,B} +6 C u0 r0 {3,S} +7 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 2303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_Sp-7C=5R!H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {7,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_N-Sp-7C=5R!H", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 S u0 r0 {3,S} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {3,S} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 2306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-7R!H->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 S u0 r0 {3,S} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {3,S} +7 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 2307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_Sp-6C=5R!H", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 S u0 r0 {3,S} +5 C u0 r0 {3,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 2310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 S ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[B,T]} +6 C ux {5,[B,T]} +""", + kinetics = None, +) + +entry( + index = 2311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_5R!H-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 S u0 r0 {3,S} +5 C u0 r1 {3,S} {6,B} +6 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 2312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_N-5R!H-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 S u0 r0 {3,S} +5 C u0 r0 {3,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 2313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_N-6R!H->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 S u0 r0 {3,S} +5 C u0 r0 {3,S} {6,D} +6 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 2314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_4BrCClNO->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [C,N,O,Cl] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-3C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 N ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-4N-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [C,O,Cl] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [C,O,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,O,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_4CClO->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [C,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_Sp-7O-4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_N-Sp-7O-4C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {7,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 2336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 2337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 2338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_7BrCClFINPSSi->S", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {7,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-7BrCClFINPSSi->S", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {7,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,T,B]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 2341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,T,B]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 2342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_4C-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 2343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_N-4C-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 2344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-5R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,T,B]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 2345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_N-4CCl->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 [C,O] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,D} +""", + kinetics = None, +) + +entry( + index = 2353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_Ext-5C-R", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 2354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_6R!H->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,T,Q,B]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-5C-R", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 2358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_4C-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 2359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_N-4C-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 2360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_N-5CO->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 O u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 2361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_N-4CClO->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [O,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_4CClO->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [C,O] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_4C-inRing", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} +""", + kinetics = None, +) + +entry( + index = 2366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 2367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 [N,Cl,C,O,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_6R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_N-6R!H->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 [N,O,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_5ClNO->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 [N,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_Ext-4C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 [N,Cl] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_5ClN->N", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 N ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_N-5ClN->N", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_5R!H->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 O ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 [N,F,Cl,C,S] ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Ext-5C-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Sp-5C=4C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_N-Sp-5C=4C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 2389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 [N,S] ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_5NS->N", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 N ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_N-5NS->N", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C_Ext-4O-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H", + group = +""" +1 *1 [C,N,O,I] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I", + group = +""" +1 *1 I u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I_Ext-3C-R", + group = +""" +1 *1 I u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl,C,O,S] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I", + group = +""" +1 *1 [C,N,O] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N", + group = +""" +1 *1 N u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-3C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 N ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-4N-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_Sp-7R!H#4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,T} +""", + kinetics = None, +) + +entry( + index = 2408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,Q,B]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_Sp-7R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_N-Sp-7R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,D} +""", + kinetics = None, +) + +entry( + index = 2411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,S} {7,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,S} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_N-Sp-6R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,D,T,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,S} +5 R!H ux {4,S} +6 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C_Ext-5R!H-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,S} +5 R!H ux {4,S} {7,[S,D,T,B,Q]} +6 R!H ux {4,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-Sp-6R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[B,D,T,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_Sp-6R!H-5R!H", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 R!H ux {4,S} {6,S} +6 R!H ux {5,S} +""", + kinetics = None, +) + +entry( + index = 2423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_N-Sp-6R!H-5R!H", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_5R!H->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 N ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_N-5R!H->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 2426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_Sp-5R!H=4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_N-Sp-5R!H=4C", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,T} +5 R!H ux {4,T} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_N-1N-u0", + group = +""" +1 *1 N u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N", + group = +""" +1 *1 [C,O] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0", + group = +""" +1 *1 [C,O] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [O,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_Sp-7O-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 O ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [C,Cl] ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {1,S} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {1,S} +8 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_N-7CCl->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,D} {9,[S,D,T,B,Q]} +8 R!H ux {7,D} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,D} +8 O ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,T,Q,B]} +8 [O,Cl] ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 [O,Cl] ux {7,[S,T,Q,B]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [F,Cl] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_7ClF->F", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 F ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_N-7ClF->F", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_8R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 Cl ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [C,O] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_Sp-8C-7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,S} {8,S} +8 C ux {7,S} +""", + kinetics = None, +) + +entry( + index = 2502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_N-Sp-8C-7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_N-Sp-7C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,D} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_Sp-7C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_N-Sp-7C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,D} {8,[S,D,T,B,Q]} +8 O ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Sp-7C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_N-Sp-7C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_7BrClFINOPSSi->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_N-7BrClFINOPSSi->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_N-Sp-7BrClFINOPSSi-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 C ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} {8,[S,D,T,B,Q]} +7 C ux {6,S} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C", + group = +""" +1 *1 C u0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,S} +7 C ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,S} +7 C ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,S} +7 C ux {6,S} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,S} +7 C ux {6,S} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 [O,Cl] ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} {8,[S,D,T,B,Q]} +7 [O,Cl] ux {6,S} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 [O,Cl] ux {6,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,B]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,B]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,B]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 [O,Cl] ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_Sp-6R!H-1C", + group = +""" +1 *1 C u0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 [O,Cl] ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_N-Sp-6R!H-1C", + group = +""" +1 *1 C u0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[B,D]} {7,[B,D,T,Q]} +7 [O,Cl] ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [O,Cl] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [O,Cl] ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,O] ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_N-6CO->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_Sp-6O-1C", + group = +""" +1 *1 C u0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C", + group = +""" +1 *1 C u0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[B,D]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 O ux {1,[B,D]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} +7 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,S} +7 C ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,S} {8,[S,D,T,B,Q]} +7 C ux {6,S} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,S} +7 [O,Cl] ux {6,S} +""", + kinetics = None, +) + +entry( + index = 2569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,S} {8,[S,D,T,B,Q]} +7 [O,Cl] ux {6,S} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,S} {7,[B,D,T,Q]} +7 [O,Cl] ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[B,D]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[B,D]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[B,D]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[B,D]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[B,D]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C ux {1,[B,D]} {7,[S,D,T,B,Q]} +7 O ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 [F,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_6ClF->F", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 Cl ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,S} {6,D} {7,[S,D,T,B,Q]} +6 R!H ux {5,D} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,S} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,S} {6,D} +6 O ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C", + group = +""" +1 *1 C u0 {2,S} {5,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[B,D]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[B,D]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[B,D]} {6,D} +6 O ux {5,D} +""", + kinetics = None, +) + +entry( + index = 2594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,D} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,D} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,D} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} {6,[S,T,Q,B]} +6 Cl ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} {6,[S,T,Q,B]} +6 Cl ux {5,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +6 Cl ux {5,[S,T,Q,B]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_5R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [O,F,Cl] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [O,F,Cl] ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 Cl ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 Cl ux {1,[S,B]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 Cl ux {1,[S,B]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 Cl ux {1,[S,B]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [C,O,F] ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_5CFO->F", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 F ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [C,O] ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [C,O] ux {1,[S,B]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_5CO->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 C ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_N-5CO->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 O ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 2620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_5R!H->O", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C", + group = +""" +1 *1 C u0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [C,N,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,D} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,D} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 R!H ux {1,D} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 2650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 2651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 [N,P,F,I,Br,Cl,O,Si,S] ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {1,D} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,D} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} +""", + kinetics = None, +) + +entry( + index = 2658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-Sp-10R!H=9C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,D} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 R!H ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 [N,P,F,I,Br,Cl,O,Si,S] ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux {1,D} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} +""", + kinetics = None, +) + +entry( + index = 2682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 S ux {1,D} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 S ux {1,D} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 {4,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {10,B} +9 S u0 {1,[S,D,T,B,Q]} +10 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 2709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 C u0 r1 {1,S} {10,B} +9 S u0 {1,S} +10 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 2710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r1 {1,S} {10,B} +9 S u0 r0 {1,S} +10 C u0 r1 {8,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {10,B} +9 S u0 {1,[S,D,T,B,Q]} +10 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 2712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r1 {1,[S,D,T,B,Q]} {10,B} +9 S u0 {1,[S,D,T,B,Q]} +10 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 2713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r1 {1,[S,D,T,B,Q]} {10,B} +9 S u0 r0 {1,[S,D,T,B,Q]} +10 C u0 r1 {8,B} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 r1 {1,S} {10,B} +9 S u0 {1,S} +10 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 2715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,S} {10,B} +9 S u0 r0 {1,S} +10 C u0 r1 {8,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S u0 r0 {1,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 S ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 S ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 S u0 {1,[S,D,T,B,Q]} +10 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 S u0 r0 {1,[S,D,T,B,Q]} +10 S u0 r0 {8,D} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S u0 {1,[S,D,T,B,Q]} +10 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S u0 {1,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S u0 {1,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {7,B} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,B} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S u0 {1,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {7,B} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r1 {4,B} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 S u0 r0 {1,[S,D,T,B,Q]} +10 C u0 r0 {8,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,T} +9 S u0 r0 {1,S} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S u0 {1,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,T} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 S u0 r0 {1,[S,D,T,B,Q]} +10 C u0 r0 {8,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,T} +9 S u0 r0 {1,S} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 S u0 {1,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,T} +9 S u0 r0 {1,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 S u0 {1,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,T} +9 S u0 r0 {1,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 r0 {1,S} {10,D} +9 S u0 {1,S} +10 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 C u0 r0 {1,S} {10,D} +9 S u0 {1,S} +10 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 S u0 {1,S} +10 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 r1 {1,S} {10,B} +9 C ux {1,S} +10 C ux {8,B} +""", + kinetics = None, +) + +entry( + index = 2747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 C u0 r1 {1,S} {10,B} +9 C u0 {1,S} +10 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 2748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 r1 {1,S} {10,B} +9 C ux {1,S} +10 C ux {8,B} +""", + kinetics = None, +) + +entry( + index = 2750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,D} +8 C u0 r1 {1,S} {10,B} +9 C ux {1,S} +10 C ux {8,B} +""", + kinetics = None, +) + +entry( + index = 2751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 {4,D} +8 C u0 r1 {1,S} {10,B} +9 C ux {1,S} +10 C ux r1 {8,B} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 r1 {1,S} {10,B} +9 C u0 {1,S} +10 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 2753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +11 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C u0 {9,[S,D,T,B,Q]} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +11 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux {8,D} +11 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux {8,D} +11 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux r0 {8,D} +11 C ux {9,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 {1,S} {11,D} +10 C u0 {8,D} +11 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux {8,T} +11 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,D} +8 C u0 r0 {1,S} {10,T} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux {8,T} +11 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,T} +9 C ux {1,S} {11,[S,D,T,B,Q]} +10 C ux r0 {8,T} +11 C ux {9,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 {1,S} {11,T} +10 C u0 {8,T} +11 C u0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 r0 {1,S} {10,D} +9 C u0 {1,S} +10 C u0 {8,D} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Sp-7C#4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,D]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,D]} +8 C u0 r0 {1,S} {10,D} +9 C u0 {1,S} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,D]} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 {4,[B,D]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 r0 {1,S} {10,T} +9 C u0 {1,S} +10 C u0 {8,T} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 {1,S} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,T]} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,[B,T]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C ux {1,S} +10 S ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C ux {1,S} +10 S ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C ux {1,S} +10 S ux {8,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 {1,S} {10,D} +9 C u0 {1,S} +10 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 {1,S} {10,D} +9 C u0 {1,S} +10 S u0 {8,D} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,D} +8 S ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 R!H u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 S u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,D} +8 S ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,T]} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,[B,T]} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,T]} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,[B,T]} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux r0 {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 {1,S} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {1,S} {9,[B,D]} +9 C ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {9,[B,D]} +9 C ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r1 {1,S} {9,[B,D]} +9 C ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {9,[B,D]} +9 C ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 {1,S} {9,[B,D]} +9 C u0 {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 C u0 {1,S} {9,[B,D]} +9 C u0 {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 2837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {9,[B,D]} +9 C u0 {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 2839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 2840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {1,S} {9,D} +9 S ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 S ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 {1,S} {9,D} +9 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,B} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,D} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 {4,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 {4,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {4,[B,T]} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 2857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 2858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 2859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 2860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 2879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} +""", + kinetics = None, +) + +entry( + index = 2888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 2907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 2908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,D} +9 C ux {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 S u0 {4,D} +8 C u0 r1 {1,S} {9,B} +9 C u0 {8,B} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 S u0 {3,S} +7 S u0 {4,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 {8,T} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 2915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux r0 {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 2924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 2927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {9,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {9,T} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 S u0 r0 {1,S} +9 C u0 r0 {7,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {9,T} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {9,T} +8 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {7,T} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {1,S} {9,D} +8 C u0 {1,S} {10,D} +9 C u0 {7,D} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C ux {1,[S,D,T,B,Q]} +9 C u0 r0 {7,D} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +10 [N,P,F,I,Br,Cl,O,Si,S] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 S u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 S ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C ux {1,[S,D,T,B,Q]} +9 S u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C ux {1,[S,D,T,B,Q]} +9 S u0 {7,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C ux {1,[S,D,T,B,Q]} +9 S u0 r0 {7,D} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +10 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 S u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 S u0 {3,S} +7 C u0 {1,S} {9,B} +8 R!H u0 {1,S} +9 C u0 {7,B} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 S u0 r0 {1,S} +9 C u0 r1 {7,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 S u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 2983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {3,S} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 2996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {10,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux r0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {3,[S,D,T,B,Q]} +7 C u0 {4,D} +8 C ux {5,[S,D,T,B,Q]} +9 C ux r1 {1,S} {10,S} {15,[S,D,T,B,Q]} +10 C u0 r1 {9,S} {11,[S,D,T,B,Q]} {12,S} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C u0 r1 {10,S} {13,[S,D,T,B,Q]} +13 C ux r1 {12,[S,D,T,B,Q]} {14,S} +14 C u0 r1 {13,S} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} {15,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 C ux {5,[S,D,T,B,Q]} +9 C ux r1 {1,S} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux r1 {10,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux r1 {12,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux r1 {13,[S,D,T,B,Q]} +15 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r1 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 3002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {1,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {10,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux r0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {3,[S,D,T,B,Q]} +7 C u0 {4,T} +8 C ux {5,[S,D,T,B,Q]} +9 C ux r1 {1,S} {10,S} {15,[S,D,T,B,Q]} +10 C u0 r1 {9,S} {11,[S,D,T,B,Q]} {12,S} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C u0 r1 {10,S} {13,[S,D,T,B,Q]} +13 C ux r1 {12,[S,D,T,B,Q]} {14,S} +14 C u0 r1 {13,S} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} {15,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux {5,[S,D,T,B,Q]} +9 C ux r1 {1,S} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux r1 {10,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux r1 {12,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux r1 {13,[S,D,T,B,Q]} +15 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r1 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {9,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {9,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {9,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,S} +10 R!H ux r1 {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 R!H ux r1 {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 R!H ux r1 {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 S ux {1,S} +10 C u0 r0 {1,S} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} {8,D} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,D} +8 C ux {5,D} +9 S ux {1,S} +10 C u0 r0 {1,S} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} {8,D} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,D} +8 C ux {5,D} +9 S ux {1,S} +10 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +11 C u0 {1,S} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} {8,D} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,D} +8 C ux {5,D} +9 S ux {1,S} +10 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +11 C u0 {1,S} +12 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux r0 {3,[S,D,T,B,Q]} {8,D} +6 C ux r0 {3,[S,D,T,B,Q]} +7 C u0 {4,D} +8 C ux {5,D} +9 S ux {1,S} +10 C u0 r0 {1,S} {12,D} +11 C u0 {1,S} +12 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 3023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {12,T} +11 C u0 r0 {1,S} +12 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {12,D} +11 C u0 r0 {1,S} +12 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} {8,T} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,T} +8 C ux {5,T} +9 S ux {1,S} +10 C u0 r0 {1,S} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} {8,T} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,T} +8 C ux {5,T} +9 S ux {1,S} +10 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +11 C u0 {1,S} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} {8,T} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {4,T} +8 C ux {5,T} +9 S ux {1,S} +10 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +11 C u0 {1,S} +12 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux r0 {3,[S,D,T,B,Q]} {8,T} +6 C ux r0 {3,[S,D,T,B,Q]} +7 C u0 {4,T} +8 C ux {5,T} +9 S ux {1,S} +10 C u0 r0 {1,S} {12,D} +11 C u0 {1,S} +12 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 3029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {12,T} +11 C u0 r0 {1,S} +12 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {12,D} +11 C u0 r0 {1,S} +12 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,S} +10 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,S} +10 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,S} +10 R!H u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,S} +10 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} {8,D} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {5,D} +9 S u0 {1,S} +10 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} {8,D} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {5,D} +9 S u0 {1,S} +10 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +11 R!H u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} {8,D} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {5,D} +9 S u0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 R!H u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,[S,T,Q,B]} +11 C u0 r0 {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Sp-10C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_N-Sp-10C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} {8,T} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {5,T} +9 S u0 {1,S} +10 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} {8,T} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {5,T} +9 S u0 {1,S} +10 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +11 R!H u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} {8,T} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {5,T} +9 S u0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 R!H u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,[S,T,Q,B]} +11 C u0 r0 {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Sp-10C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,S} +10 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +10 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +10 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,D} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,D} +10 C u0 {1,S} {11,D} +11 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,D} +10 C u0 {1,S} {11,[S,T,Q,B]} +11 C u0 {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,D} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 R!H u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} {8,D} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {5,D} +9 C u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_N-Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} {8,T} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {5,T} +9 C u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_N-Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,D} +10 C u0 {1,S} {11,D} +11 S u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r1 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r1 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r1 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r1 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r1 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r1 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {1,S} {13,[S,D,T,B,Q]} +11 C u0 {1,S} +12 C u0 {9,[S,D,T,B,Q]} +13 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,D} +10 C u0 {1,S} {13,D} +11 C u0 {1,S} +12 C u0 {9,D} +13 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {1,S} {13,D} +11 C u0 r0 {1,S} +12 C u0 r0 {9,D} +13 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {1,S} {13,D} +11 C u0 r0 {1,S} +12 C u0 r0 {9,D} +13 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,T} +10 C u0 {1,S} {13,T} +11 C u0 {1,S} +12 C u0 {9,T} +13 C u0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {12,T} +10 C u0 r0 {1,S} {13,T} +11 C u0 r0 {1,S} +12 C u0 r0 {9,T} +13 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {12,T} +10 C u0 r0 {1,S} {13,T} +11 C u0 r0 {1,S} +12 C u0 r0 {9,T} +13 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {12,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {12,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 S u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {12,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {12,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,T} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 C u0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {12,T} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {12,T} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {1,S} +11 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {1,S} +11 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,D} +10 C u0 {1,S} +11 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,D} +10 C u0 {1,S} {12,D} +11 C u0 {9,D} +12 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} {12,D} +11 C u0 r0 {9,D} +12 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} {12,D} +11 C u0 r0 {9,D} +12 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,T} +10 C u0 {1,S} +11 C u0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,T} +10 C u0 {1,S} {12,T} +11 C u0 {9,T} +12 C u0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {1,S} {12,T} +11 C u0 r0 {9,T} +12 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {1,S} {12,T} +11 C u0 r0 {9,T} +12 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {1,S} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {1,S} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,D} +10 C u0 {1,S} +11 S u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} +11 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} +11 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} {8,D} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {5,D} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} {8,T} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {5,T} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,D} +10 S u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 C u0 r0 {1,D} {10,D} +10 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} {8,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 S u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +9 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} {8,D} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} {8,T} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C u0 r1 {1,S} {9,S} {10,S} +9 C ux r1 {8,S} +10 C u0 r1 {8,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 C ux r1 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,D]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,D]} +8 C u0 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[B,D]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,D]} +8 C u0 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 C u0 {1,S} {12,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {7,[B,D]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,D]} +8 C u0 r1 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 C u0 r1 {1,S} {12,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_N-4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[B,D]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[B,D]} +8 C u0 r1 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 C u0 r1 {1,S} {12,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} +8 C u0 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r1 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 C ux r1 {1,[S,D,T,B,Q]} {12,S} +12 C u0 r1 {11,S} {13,[S,D,T,B,Q]} +13 R!H ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r1 {1,S} {9,S} {10,S} +9 C u0 r1 {8,S} +10 C u0 r1 {8,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r1 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 C ux r1 {1,[S,D,T,B,Q]} {12,S} +12 C u0 r1 {11,S} {13,[S,D,T,B,Q]} +13 R!H ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r1 {1,S} {9,S} {10,S} +9 C u0 r1 {8,S} +10 C u0 r1 {8,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,[S,D,T,B,Q]} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,[B,T]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 3185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_Sp-7R!H#4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,D]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[B,D]} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,[B,D]} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 {4,[B,D]} +8 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_N-4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[B,D]} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 {4,[B,D]} +8 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 R!H u0 {4,[S,D,T,B,Q]} +8 C u0 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 R!H u0 {4,D} +8 C u0 {1,B} +""", + kinetics = None, +) + +entry( + index = 3191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_7R!H->C", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_N-7R!H->C", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[B,T]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[B,T]} +8 C u0 {1,B} +""", + kinetics = None, +) + +entry( + index = 3194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} +8 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_N-4C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 O u0 {4,S} +""", + kinetics = None, +) + +entry( + index = 3198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 O u0 {4,S} +8 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 O u0 {4,S} +8 C u0 {1,S} +9 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 O u0 r0 {4,S} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 O u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 O u0 {4,S} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 O u0 {4,S} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 O u0 r0 {4,S} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 O u0 r0 {4,S} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 [C,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 R!H u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,D} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,D} +10 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,D} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 R!H u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_Sp-11C=10C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_N-Sp-11C=10C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,D} +10 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 S u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 S u0 {1,D} +10 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 S u0 {1,D} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} {11,[S,T,Q,B]} +11 C u0 r0 {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,D} +10 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 S ux {1,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 S ux {1,[S,T,Q,B]} +10 C u0 {1,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 S u0 {1,S} +10 C u0 r1 {1,S} {11,B} +11 C u0 {10,B} +""", + kinetics = None, +) + +entry( + index = 3231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 C u0 r1 {1,S} {11,B} +11 C u0 r1 {10,B} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 S ux {1,[S,T,Q,B]} +10 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} {10,S} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 S ux {1,[S,T,Q,B]} +10 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} {10,S} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 S ux {1,[S,T,Q,B]} +10 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,[S,T,Q,B]} {10,S} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,[S,D,T,B,Q]} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} +9 S ux {1,[S,T,Q,B]} +10 C u0 r0 {1,S} {11,D} +11 C ux r0 {10,D} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_N-Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 S u0 r0 {10,D} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 S u0 {1,S} +10 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_N-Sp-11C=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,T} +11 C u0 r0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} {11,D} +11 S u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,S} {11,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r1 {1,S} {11,B} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {9,B} +""", + kinetics = None, +) + +entry( + index = 3247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r1 {1,S} {11,B} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r1 {9,B} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {1,S} {12,[S,D,T,B,Q]} +11 C u0 {9,[S,D,T,B,Q]} +12 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,D} +10 C u0 {1,S} {12,D} +11 C u0 {9,D} +12 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 3252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {13,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} {12,D} +11 C u0 r0 {9,D} +12 C u0 r0 {10,D} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,T} +10 C u0 {1,S} {12,T} +11 C u0 {9,T} +12 C u0 {10,T} +""", + kinetics = None, +) + +entry( + index = 3254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,S} {13,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {1,S} {12,T} +11 C u0 r0 {9,T} +12 C u0 r0 {10,T} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {11,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {9,D} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,T} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {11,T} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {9,T} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 r0 {1,S} {11,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 S u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {11,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 S u0 r0 {9,D} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_Sp-10C#9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,B} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C u0 {1,S} {10,[B,D]} +10 C u0 {9,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r1 {1,S} {10,B} +10 C u0 r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 3267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_N-9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r1 {3,S} {7,B} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 [C,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,[S,D,T,B,Q]} +8 R!H u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,[S,D,T,B,Q]} +8 C u0 {1,D} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,D} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-Sp-7CS=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 R!H u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 C u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,D} +9 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,D} +9 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,D} +9 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,D} +9 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 S u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 S u0 {1,D} +9 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 S u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 S u0 {1,D} +9 C u0 {1,S} {10,D} +10 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 S u0 {1,D} +9 C u0 {1,S} {10,[S,T,Q,B]} +10 C u0 {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 S u0 {1,D} +9 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 S u0 {1,D} +9 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 R!H u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,D} +9 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,D} +9 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 S u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 S u0 {1,D} +9 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 S u0 {1,D} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,[S,T,Q,B]} +10 C u0 r0 {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 [C,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 [C,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 [C,S] ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,[S,T,Q,B]} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 S u0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 {9,B} +""", + kinetics = None, +) + +entry( + index = 3339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,D} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,D} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 S u0 {1,S} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 S ux {1,[S,T,Q,B]} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 S u0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 {9,B} +""", + kinetics = None, +) + +entry( + index = 3352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {4,T} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,T} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {4,T} +8 S ux {1,[S,T,Q,B]} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 S u0 {1,S} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 S u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 S u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 S ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 S ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 S ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 C u0 {1,S} {10,D} +10 R!H u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 S ux {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 C u0 {1,S} {10,D} +10 R!H u0 {9,D} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,T,Q,B]} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 S ux r0 {4,[S,D,T,B,Q]} +8 S ux {1,[S,T,Q,B]} +9 C u0 {1,S} {10,D} +10 C u0 {9,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 S u0 {1,S} +9 C u0 {1,S} {10,[S,T,Q,B]} +10 C u0 {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 S u0 {1,S} +9 C u0 {1,S} {10,[S,T,Q,B]} +10 C u0 {9,[S,T,Q,B]} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 3380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,[S,D,T,B,Q]} +8 S u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_N-Sp-7C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,[S,D,T,B,Q]} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,[S,D,T,B,Q]} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,[S,D,T,B,Q]} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {1,S} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {1,S} +11 C u0 r0 {8,D} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {11,[B,T]} +9 C u0 r0 {1,S} {12,T} +10 C u0 r0 {1,S} +11 C u0 r0 {8,[B,T]} +12 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {11,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {11,[B,T]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {8,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r1 {1,S} {11,B} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {11,T} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {11,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {1,S} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_Sp-11R!H=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {1,S} +11 C u0 r0 {8,D} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_N-Sp-11R!H=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {11,[B,T]} +9 C u0 r0 {1,S} {12,T} +10 C u0 r0 {1,S} +11 C u0 r0 {8,[B,T]} +12 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r1 {1,S} {11,B} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {11,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_N-Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {11,[B,T]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {8,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {11,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} +10 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} {10,D} +9 C u0 {1,S} {11,D} +10 C u0 {8,D} +11 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} {10,[B,T]} +9 C u0 {1,S} {11,T} +10 C u0 {8,[B,T]} +11 C u0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_Sp-10C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_N-Sp-10C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,[B,T]} +9 C u0 r0 {1,S} +10 C u0 r0 {8,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_Sp-10C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_N-Sp-10C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {10,[B,T]} +9 C u0 r0 {1,S} +10 C u0 r0 {8,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} {10,D} +9 C u0 {1,S} +10 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {1,S} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {1,S} +11 C u0 r0 {8,D} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {1,S} {12,T} +10 C u0 r0 {1,S} +11 C u0 r0 {8,T} +12 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {11,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_N-Sp-11C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {11,T} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_N-11R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {11,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} +10 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_Sp-10R!H=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_N-Sp-10R!H=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,[B,T]} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,[B,T]} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Sp-10R!H#8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {10,[B,D]} +9 C u0 {1,S} +10 R!H u0 {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {10,[B,D]} +9 C u0 {1,S} +10 C u0 {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,D} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {9,[B,T]} +9 C u0 r0 {8,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {4,D} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,[B,T]} +9 C u0 r0 {8,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_Sp-9C#8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,T} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {4,T} +8 C u0 {1,S} {9,[B,D]} +9 C u0 {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,T} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,T} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} {7,D} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {4,D} +""", + kinetics = None, +) + +entry( + index = 3484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 3485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,D} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 3486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_N-Sp-7CCSS=4C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} {7,[S,T,B]} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 3487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R_Ext-9R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {8,S} +8 C u0 {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {8,S} {11,[S,D,T,B,Q]} +8 C u0 r1 {7,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {8,S} +8 C u0 r1 {7,S} {9,S} {10,S} +9 C u0 r1 {8,S} +10 C u0 r1 {8,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,[B,D,T,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 R!H u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 O u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 O u0 {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 [C,S] u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_Ext-7CS-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,D} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,D} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 R!H u0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 3524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 C ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 3528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,S} +8 C ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 S u0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H u0 {7,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {9,T} +8 C u0 {1,S} +9 C u0 {7,T} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {7,T} +10 C u0 r0 {1,S} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {9,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H u0 {7,[B,D]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r1 {7,B} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H u0 {7,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {7,D} +10 C u0 r0 {1,S} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {7,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 S u0 r0 {7,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[B,T]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,[B,T]} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_N-Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[B,T]} +8 C u0 r0 {1,S} +9 C u0 r0 {7,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 {3,S} +5 C u0 {3,S} +6 C u0 {3,S} +7 C u0 {1,S} {8,[B,T]} +8 C u0 {7,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-Sp-7R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,T} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,T} +""", + kinetics = None, +) + +entry( + index = 3565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +9 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {5,[S,D,T,B,Q]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,[S,D,T,B,Q]} +9 C u0 {1,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 {9,B} +""", + kinetics = None, +) + +entry( + index = 3593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r1 {1,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,D} +10 R!H ux {9,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_10R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 {1,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,D} +10 C ux r0 {9,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 S u0 {1,S} +9 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 C u0 r1 {1,S} {12,S} +12 C u0 r1 {11,S} {13,S} +13 C u0 r1 {12,S} +""", + kinetics = None, +) + +entry( + index = 3610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,S} {9,S} {10,S} +9 C u0 r1 {8,S} +10 C u0 r1 {8,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-9R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Sp-8BrCClFINOPSi-1C", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_N-Sp-8BrCClFINOPSi-1C", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r1 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H u0 {8,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 C u0 {1,S} +12 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=8BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=8BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {12,T} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +12 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_Sp-10C=8BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {8,D} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_N-Sp-10C=8BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,T} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {8,T} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,D} +9 R!H ux {1,[S,D,T,B,Q]} +10 S u0 r0 {8,D} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 {1,S} +10 R!H u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 {1,S} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 r0 {1,S} {10,T} +9 C u0 {1,S} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} {7,D} +6 C u0 {4,D} +7 C u0 {5,D} +8 C u0 {1,S} {9,[B,D]} +9 C u0 {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_8BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-8BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_N-Sp-10C=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 S u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 3659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,T} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {8,T} +""", + kinetics = None, +) + +entry( + index = 3664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,T} +9 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {8,T} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,T} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {8,T} +""", + kinetics = None, +) + +entry( + index = 3667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,T} +9 S u0 r0 {1,S} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {8,T} +""", + kinetics = None, +) + +entry( + index = 3669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,B]} {10,[S,D,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,B]} {10,[S,D,Q,B]} +9 S ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,S} {10,B} +9 S u0 r0 {1,S} +10 C u0 r1 {8,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 3680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 S ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,S} {10,B} +9 S u0 r0 {1,S} +10 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} +10 S ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 S ux {1,[S,D,T,B,Q]} +10 S ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} {10,[S,D,Q,B]} +9 C ux {1,[S,D,T,B,Q]} +10 S ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,[S,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,B]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {5,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Int-12R!H-9R!H_Ext-12R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C u0 r1 {1,[S,D,T,B,Q]} {12,S} +10 C ux r1 {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 C u0 r1 {10,[S,D,T,B,Q]} +12 C ux r1 {9,S} {10,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 R!H ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {5,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r1 {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {5,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r1 {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +13 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,S} +9 C u0 r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {8,[B,D,T,Q]} {9,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,[B,D,T,Q]} +9 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 3704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H#8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,S} {9,[S,D,Q,B]} +9 R!H ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,S} {9,[S,D,Q,B]} +9 C ux {8,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 3709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u0 {2,S} {8,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {8,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[B,T]} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 3720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} +10 C u0 r0 {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {1,S} +10 C u0 r0 {7,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 {3,S} +6 C u0 {4,D} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,[B,T]} +8 C u0 r0 {1,S} +9 C u0 r0 {7,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_Sp-8C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {8,[B,D]} +8 C ux {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 C ux r1 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r1 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 C ux r1 {1,[S,D,T,B,Q]} {11,S} +11 C u0 r1 {10,S} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,S} {8,S} {9,S} +8 C u0 r1 {7,S} +9 C u0 r1 {7,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r1 {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Sp-7C-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-Sp-7C-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,[B,T,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,[B,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 3792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 3805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} +10 C u0 r0 {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {1,S} +10 C u0 r0 {7,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Sp-9R!H#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {8,[B,D]} +8 C ux {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C u0 r1 {1,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 C ux r1 {1,[S,D,T,B,Q]} {11,S} +11 C u0 r1 {10,S} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 C ux r1 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r1 {1,S} {8,S} {9,S} +8 C u0 r1 {7,S} +9 C u0 r1 {7,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,[B,D,T,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 C u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r1 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 C ux r1 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 C ux r1 {1,[S,D,T,B,Q]} {11,S} +11 C u0 r1 {10,S} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} {8,S} {9,S} +8 C u0 r1 {7,S} +9 C u0 r1 {7,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {7,[B,D,T,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 R!H u0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 R!H u0 {1,D} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,D} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 S u0 {1,D} +8 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 S u0 {1,D} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,T,Q,B]} +8 C u0 {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 S u0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 3896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,T,Q,B]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,T,Q,B]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,T,Q,B]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} +7 S ux {1,[S,T,Q,B]} +8 C u0 r0 {1,S} {9,D} +9 C ux r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 S u0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-10R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} +10 C u0 r0 {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-10R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {10,[B,T]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {1,S} +10 C u0 r0 {7,[B,T]} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {10,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {10,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} {10,B} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} +9 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} +9 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_N-Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,D} +8 C u0 {1,S} +9 R!H u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,B} +5 C u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {8,[B,D]} +8 C u0 {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 C u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_Sp-9R!H=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_N-Sp-9R!H=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 3952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} +8 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {7,B} {8,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,B} +8 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 3957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} {9,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,T} +""", + kinetics = None, +) + +entry( + index = 3960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} {9,T} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {7,T} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} {9,T} +8 S ux {1,[S,D,T,B,Q]} +9 R!H ux {7,T} +""", + kinetics = None, +) + +entry( + index = 3963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,T} +8 S u0 r0 {1,S} +9 C u0 r0 {7,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} {9,T} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {7,T} +""", + kinetics = None, +) + +entry( + index = 3965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 S ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 S ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 S ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 S ux {7,[S,D,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 S u0 r0 {1,S} +9 S u0 r0 {7,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 S u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 {3,S} {6,D} +5 C u0 {3,S} +6 S u0 {4,D} +7 C u0 {1,S} {9,B} +8 R!H u0 {1,S} +9 C u0 {7,B} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {9,B} +8 S u0 r0 {1,S} +9 C u0 r1 {7,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {9,B} +8 S u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 3992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 3995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 3998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u0 {2,S} {7,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 4002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 O u0 r0 {4,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [O,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Sp-6R!H#1C", + group = +""" +1 *1 C u0 {2,S} {6,T} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,T} +""", + kinetics = None, +) + +entry( + index = 4032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 S ux {1,[S,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 S u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,O,F,Cl] ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 Cl ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 Br ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 F ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 F ux {1,[S,B]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,O,Cl] ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 O u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_9R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {9,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 O u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 4066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,C,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,C,Si,S] ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_N-9BrCClFINPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {9,[S,T]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,C,Si,S] ux {6,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {6,T} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {6,T} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux r0 {1,[S,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux r0 {1,[S,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_Sp-8C=6CCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_N-Sp-8C=6CCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [C,Cl] ux {1,[S,B]} {8,[S,D,T,B,Q]} +7 Cl ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +7 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_N-6CCl->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 4093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r0 {1,[S,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_N-Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_N-6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 Cl ux {1,[S,B]} +""", + kinetics = None, +) + +entry( + index = 4101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {10,S} +10 C u0 r1 {9,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} {7,S} {8,S} +7 C u0 r1 {6,S} +8 C u0 r1 {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r1 {1,[S,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Sp-6CCl-1C", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-Sp-6CCl-1C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 4108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 N ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 [O,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 [O,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_7R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 O u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 O u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [Br,C,F] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_7BrCF->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 Br ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_N-7BrCF->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 F ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 O u0 r0 {3,S} +6 C u0 r0 {1,S} {7,[S,D]} {8,[S,D]} +7 C u0 r0 {6,[S,D]} +8 C u0 r0 {6,[S,D]} +""", + kinetics = None, +) + +entry( + index = 4123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 O u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 O ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 C u0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 S u0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 {8,B} +""", + kinetics = None, +) + +entry( + index = 4157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r1 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} +7 S ux r0 {1,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 S u0 {1,S} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r1 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,D} +8 C u0 {1,S} {10,D} +9 C u0 {7,D} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,T} +8 C u0 {1,S} {10,T} +9 C u0 {7,T} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {7,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {7,T} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 r0 {1,S} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 S u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 S u0 r0 {7,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 R!H u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H", + group = +""" +1 *1 C u0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 {3,S} +6 C u0 {4,B} +7 C u0 {1,S} {8,[B,D]} +8 C u0 {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 4191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 4192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r1 {3,S} {6,B} +5 S u0 r0 {3,S} +6 C u0 r1 {4,B} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} +10 C u0 r0 {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {1,S} +10 C u0 r0 {7,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r0 {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r0 {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,D} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 C ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 4265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 4266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 4267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 S ux {1,[S,T,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 4300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux r0 {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux r0 {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux r0 {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux r0 {1,[S,T,Q,B]} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 4310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {1,S} +10 C u0 r0 {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux r0 {1,[S,T,Q,B]} {10,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 4312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {1,S} +10 C u0 r0 {7,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-10R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_N-8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 4319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux {1,[S,T,Q,B]} {9,[B,T]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[B,T]} +""", + kinetics = None, +) + +entry( + index = 4321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {1,S} +9 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 4322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 C ux r0 {1,[S,T,Q,B]} {9,[B,T]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[B,T]} +""", + kinetics = None, +) + +entry( + index = 4323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {7,T} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux r0 {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux r0 {3,S} {6,[B,T]} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {4,[B,T]} +7 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,T} +5 S u0 r0 {3,S} +6 C u0 r0 {4,T} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 S ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,D} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {7,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 4356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,D} +8 R!H ux {7,D} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,D} +8 R!H ux {7,D} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,D} +8 C ux {7,D} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[B,T]} +8 R!H ux {7,[B,T]} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,T,Q,B]} {8,[B,T]} +8 R!H ux {7,[B,T]} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,T,Q,B]} {8,[B,T]} +8 R!H ux {7,[B,T]} +9 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 S u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {1,S} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 4376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {1,S} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 4377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Sp-8C#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[B,D]} +8 C ux {7,[B,D]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {1,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 4383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 4384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[B,T]} +8 C ux {7,[B,T]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} {8,[B,D]} +8 C ux {7,[B,D]} +""", + kinetics = None, +) + +entry( + index = 4393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 4394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 S u0 r0 {3,S} +6 S u0 r0 {4,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 [C,O] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_Ext-6CO-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_N-6CO->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} {7,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r1 {1,B} +7 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 4428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {8,B} +7 S u0 r0 {1,S} +8 C u0 r1 {6,B} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {8,B} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r1 {6,B} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,D} +7 S ux {1,[S,D,T,B,Q]} +8 C ux {6,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,T} +7 S u0 r0 {1,S} +8 C u0 r0 {6,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 S u0 r0 {1,S} +8 S u0 r0 {6,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 S u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_N-Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,T} +7 S u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 S u0 r0 {1,S} +8 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {6,D} +9 C u0 r0 {7,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_N-Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {6,T} +9 C u0 r0 {7,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_N-Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {6,T} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 4456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 S ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 S u0 r0 {6,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 S u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_N-6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_Sp-7C#6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,T,Q,B]} {7,[B,D]} +7 C ux {6,[B,D]} +""", + kinetics = None, +) + +entry( + index = 4468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 4469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 S u0 r0 {3,S} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_Sp-8R!H=1C", + group = +""" +1 *1 C u0 {2,S} {8,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C", + group = +""" +1 *1 C u0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,S} {6,S} +5 C u0 r0 {4,S} {7,S} +6 C u0 r0 {4,S} +7 O u0 r0 {5,S} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,S} {6,S} +5 C u0 r0 {4,S} {7,S} +6 C u0 r0 {4,S} +7 O u0 r0 {5,S} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C u0 r0 {3,S} {5,S} {6,D} +5 C ux {4,S} +6 C u0 r0 {4,D} +7 O u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C u0 r0 {3,S} {5,S} {6,D} +5 C ux {4,S} +6 C u0 r0 {4,D} +7 C u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 Cl ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 Cl ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_8R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 Cl ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 Br ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 F ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_N-7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 [F,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 [C,Cl] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 [C,Cl] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-6CCl-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 [C,Cl] ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_6CCl->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_N-6CCl->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 [N,F,Cl,O,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_6R!H->O", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 O ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_8R!H->O", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 F ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 F ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_7R!H->O", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_6R!H->O", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 O ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_7BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_N-7BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_6R!H->O", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 F ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 [N,O,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,S} +8 R!H ux {7,S} +""", + kinetics = None, +) + +entry( + index = 4553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,S} {9,[S,D,T,B,Q]} +8 R!H ux {7,S} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,S} +8 R!H ux {7,S} +""", + kinetics = None, +) + +entry( + index = 4555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,S} +8 C ux {7,S} +""", + kinetics = None, +) + +entry( + index = 4556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,S} +8 Cl ux {7,S} +""", + kinetics = None, +) + +entry( + index = 4557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,S} +8 R!H ux {7,S} +""", + kinetics = None, +) + +entry( + index = 4558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,S} +8 R!H ux {7,S} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 4559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,S} +8 R!H ux {7,S} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[B,D,T,Q]} +8 R!H ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[B,D,T,Q]} +8 R!H ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[B,D,T,Q]} +8 C ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[B,D,T,Q]} +8 O ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[B,D,T,Q]} +8 R!H ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[B,D,T,Q]} +8 C ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} {8,[B,D,T,Q]} +8 O ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 [O,Cl] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 [O,Cl] ux {1,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} +8 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 Cl ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 [O,Cl] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_7ClO->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_N-7ClO->O", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 4587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 C ux {6,S} +""", + kinetics = None, +) + +entry( + index = 4589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} {8,[S,D,T,B,Q]} +7 C ux {6,S} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,S} {7,S} +7 C ux {6,S} +""", + kinetics = None, +) + +entry( + index = 4591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,D} {7,S} +7 C ux {6,S} +""", + kinetics = None, +) + +entry( + index = 4592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,D} {7,S} +7 C ux {6,S} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 4593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,D} {7,S} +7 C ux {6,S} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,S} +7 Cl ux {6,S} +""", + kinetics = None, +) + +entry( + index = 4595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,S} {7,[B,D,T,Q]} +7 O ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,D} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,D} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,D} {7,[B,D,T,Q]} +7 O ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 Cl ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 Cl ux {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 Cl ux {1,[S,D,T,B,Q]} +7 [O,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 [C,O] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_6CO->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 O ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_N-6CO->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_Sp-6O-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_N-Sp-6O-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 [C,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 [C,Cl] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_N-6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_N-Sp-6CCl-1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 Cl ux {4,S} +6 [C,Cl] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 [N,O] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_5NO->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 N ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_7R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,O,C,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_7BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 Br ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 F ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +7 C u0 r1 {1,S} {8,B} +8 C u0 {7,B} +""", + kinetics = None, +) + +entry( + index = 4652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 C ux r0 {7,D} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 S u0 {1,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {6,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_N-Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {9,[B,T]} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {6,[B,T]} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {1,S} {9,[B,D]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {6,[B,D]} +""", + kinetics = None, +) + +entry( + index = 4674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_6BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r1 {1,S} {9,B} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 4675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-6BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_6BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r1 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} +7 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 {1,S} +8 R!H u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 {1,S} +8 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} {8,D} +7 C u0 {1,S} +8 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} {8,T} +7 C u0 {1,S} +8 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {6,T} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_6BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +7 R!H u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_Sp-7C=6BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_N-Sp-7C=6BrCClFINOPSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {10,S} +10 C u0 r1 {9,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r1 {1,S} {7,S} {8,S} +7 C u0 r1 {6,S} +8 C u0 r1 {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-6R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} +6 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {6,[B,D,T,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r1 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,S,Cl] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_Ext-6CClS-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,O,Cl] ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,O,Cl] ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,O,Cl] ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,O,Cl] ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,O,Cl] ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,O,Cl] ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {6,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_N-Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {6,T} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,O,Cl] ux {1,[S,T,Q,B]} {9,[S,D]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,C,Si] ux {6,[S,D]} +""", + kinetics = None, +) + +entry( + index = 4755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_9BrCClFINOPSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_N-9BrCClFINOPSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 O u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 4757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_6CClO->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_N-6CClO->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 Cl ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_6CClO->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 O u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,Cl] ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,Cl] ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,Cl] ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {6,T} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,Cl] ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_Sp-8C#6CCCClClCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,Cl] ux {1,[S,T,Q,B]} {8,[S,D,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,B]} +""", + kinetics = None, +) + +entry( + index = 4768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_6CCl-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {1,S} +8 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 4769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_N-6CCl-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,Cl] ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [S,Cl] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [C,Cl] ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 Cl ux {1,[S,D,T,B,Q]} +8 [S,Cl] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} +7 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_N-6CCl->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 Cl ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_Sp-7C-6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {7,S} +7 C u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 4781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 4782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_Sp-7C#6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} {7,[B,D]} +7 C ux {6,[B,D]} +""", + kinetics = None, +) + +entry( + index = 4784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 4785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_N-6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6CClO->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [O,Cl] ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r1 {1,S} {10,S} +10 C u0 r1 {9,S} {11,S} +11 C u0 r1 {10,S} +""", + kinetics = None, +) + +entry( + index = 4793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {7,S} {8,S} +7 C u0 r1 {6,S} +8 C u0 r1 {6,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Sp-6R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {6,[B,D,T,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 4805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 C u0 r1 {1,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r1 {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r1 {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r1 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_N-Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 4857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux r0 {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,D} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,D} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,D} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,D} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,D} +7 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 S ux {1,[S,T,Q,B]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} {8,D} +8 S u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} {9,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {6,T} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r1 {1,S} {9,B} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 4915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_N-6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {6,B} {7,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r1 {1,B} +7 C u0 r1 {1,B} +""", + kinetics = None, +) + +entry( + index = 4917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_Sp-8C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 4922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_N-Sp-8C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {6,T} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 4923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {1,S} +8 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 4924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 C ux r0 {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_Sp-8C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_N-Sp-8C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 S ux {4,[B,D,T,Q]} +6 R!H ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-6C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_Sp-5R!H#1C", + group = +""" +1 *1 C u0 r0 {2,S} {5,T} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,T} +""", + kinetics = None, +) + +entry( + index = 4947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,D,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {1,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,D} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,D} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,D} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [O,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 4960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [O,S] ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_5OS->O", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 O ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,D} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_5OS->O", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_N-5OS->O", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 S ux {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 4985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 4986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Br,Cl,C,O] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Br,Cl,C,O] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 Cl ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 Cl ux {1,S} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 Cl ux {1,S} +6 [F,Cl] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [C,O,F] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_8R!H->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 Cl ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,O,C,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 Br ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 F ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {8,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 5001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {8,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 5002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {5,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {8,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {8,T} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,T} +""", + kinetics = None, +) + +entry( + index = 5006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {5,T} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 5007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {8,[S,B]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,B]} +""", + kinetics = None, +) + +entry( + index = 5008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C_N-5C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 O u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 5009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_5BrCClFO->O", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 O u0 r0 {1,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [C,F,Cl] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 5015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} {7,[B,T]} +7 C ux {6,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 5018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[B,T]} +7 C ux {6,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 5020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_N-5CClF->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 Cl ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_5R!H->Br", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 Br ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_Sp-6R!H#5CCCClClClFFFOOOSSS", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 5029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} {6,[S,D,Q,B]} +6 R!H ux {5,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} {6,[S,D,Q,B]} +6 C ux {5,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_Sp-6C-5CClFOS", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,S} +6 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 5032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} {6,[B,D]} +6 C ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_5CClFOS-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 5034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_N-5CClFOS-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} {6,[S,D,Q,B]} +6 [S,Cl] ux {5,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_6ClS->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} {6,[S,D,Q,B]} +6 Cl ux {5,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S_Ext-5CClFOS-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [F,Cl,C,O,S] ux {1,S} {6,[S,D,Q,B]} {7,[S,D,T,B,Q]} +6 Cl ux {5,[S,D,Q,B]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_5CClFOS->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 [S,Cl] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_5ClS->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_N-5ClS->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,S} {5,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {9,S} +9 C u0 r1 {8,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} {6,S} {7,S} +6 C u0 r1 {5,S} +7 C u0 r1 {5,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Ext-1C-R", + group = +""" +1 *1 C u0 r1 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_N-Sp-5R!H-1C", + group = +""" +1 *1 C u0 r1 {2,S} {5,[B,D,T,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N_Ext-4N-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 C ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 O ux {3,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R_Ext-4S-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 5075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,D} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,D} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,D} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,D} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 5086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,D} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 5093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,D} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,D} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,D} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r1 {1,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 S ux {1,[S,T,Q,B]} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 5108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,D} +7 S u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 5111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} {8,T} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 5117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {5,T} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 5118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} {8,[B,D]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_5C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 5120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux r0 {1,[S,T,Q,B]} {8,[B,D]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {5,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_5C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r1 {1,S} {7,B} +6 C u0 r0 {1,S} +7 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 5126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux r0 {1,[S,T,Q,B]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux r0 {1,[S,T,Q,B]} {7,D} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 5128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {5,D} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 C ux r0 {1,[S,T,Q,B]} {7,[B,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {5,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {7,T} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {5,T} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 5131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {1,S} +7 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,[S,T,Q,B]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,[S,T,Q,B]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_Sp-6C#5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 5135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {5,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 S ux {3,S} +5 R!H ux {1,[S,T,Q,B]} {6,[B,D]} +6 C ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_5R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 5137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_N-5R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 S u0 r0 {3,S} +5 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R_Ext-7R!H-R_Ext-8R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R_Ext-3C-R", + group = +""" +1 *1 O u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {8,S} +4 O u0 r0 {3,S} +5 C u0 r0 {3,S} {6,S} +6 C u0 r0 {5,S} +7 O u0 r0 {1,S} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 5150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-1O-R", + group = +""" +1 *1 O u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 O u0 r0 {3,S} +5 C u0 r0 {3,S} +6 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_5R!H-u0", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_N-5R!H-u0", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_5R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 N ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 [P,F,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 [P,F,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_9R!H-u0", + group = +""" +1 *1 O u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_N-9R!H-u0", + group = +""" +1 *1 O u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_7R!H->C", + group = +""" +1 *1 O u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} {6,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_8R!H-u0", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_N-8R!H-u0", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_Sp-7BrClFINOPSSi-6R!H", + group = +""" +1 *1 O u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,S} +5 C u0 r0 {3,S} +6 C u0 r0 {4,S} {7,S} +7 O u0 r0 {6,S} +8 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_N-Sp-7BrClFINOPSSi-6R!H", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R", + group = +""" +1 *1 O u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C u0 r0 {3,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,S} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,S} +5 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {4,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R_Ext-1O-R", + group = +""" +1 *1 O u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,S} +5 C u0 r0 {3,S} {7,S} +6 C u0 r0 {4,S} +7 O u0 r0 {5,S} +8 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,S} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C_Ext-7R!H-R", + group = +""" +1 *1 O u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} {6,D} +5 C u0 r0 {3,S} +6 C u0 r0 {4,D} +7 O u0 r0 {1,S} {8,S} +8 C u0 r0 {7,S} +""", + kinetics = None, +) + +entry( + index = 5201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,D} +5 C ux {3,[S,D,T,B,Q]} +6 O ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_6R!H->C", + group = +""" +1 *1 O u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,S} +4 C u0 r0 {3,S} +5 C u0 r0 {3,S} +6 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_7R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 O u0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} +""", + kinetics = None, +) + +entry( + index = 5230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_5R!H-u0", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} +5 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_N-5R!H-u0", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} +5 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 5234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} {6,[S,D,T,B,Q]} +5 C ux {4,D} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} {6,[S,D,T,B,Q]} +5 C ux {4,D} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_Sp-8R!H-7R!H", + group = +""" +1 *1 O u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} {6,S} +5 C u0 r0 {4,D} +6 C u0 r0 {4,S} +7 C u0 r0 {1,S} {8,S} +8 C u0 r0 {7,S} +""", + kinetics = None, +) + +entry( + index = 5240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_N-Sp-8R!H-7R!H", + group = +""" +1 *1 O u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} {6,S} +5 C u0 r0 {4,D} +6 C u0 r0 {4,S} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 5241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_6R!H->C", + group = +""" +1 *1 O u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux {4,D} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C_Ext-5C-R", + group = +""" +1 *1 O u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} {7,S} +6 O u0 r0 {1,S} +7 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 5245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,T]} +5 C ux {4,[S,T]} +""", + kinetics = None, +) + +entry( + index = 5246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 O ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 O ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 O ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-1O-R", + group = +""" +1 *1 O u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C u0 r0 {3,S} {5,S} {6,S} +5 C ux {4,S} +6 O u0 r0 {4,S} +7 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 O u0 r0 {2,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,S} +5 C u0 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 O u0 r0 {1,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 5259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,T} +5 C ux {4,T} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_8R!H-u0", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_N-8R!H-u0", + group = +""" +1 *1 O u0 {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_N-5BrClFINOPSSi->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [O,Cl] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_5BrClFINOPSSi->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [F,Cl] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_7R!H-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_N-7R!H-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_7R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_N-7R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_N-7R!H-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 N ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 [O,F,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_6R!H-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_N-6R!H-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 [O,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 [O,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +6 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +6 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +6 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +6 O u0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +6 O u0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_N-6R!H-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,S} +5 Cl ux {4,S} +6 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 [O,Cl] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 [O,Cl] ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 [O,Cl] ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 [O,Cl] ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,S} +6 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 5309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 r0 {2,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 O u1 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_7R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R_Ext-7R!H-R", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [N,Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_5R!H->Br", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 Br u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_N-5R!H->Br", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_N-5R!H-u0", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +5 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Cl] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N_Ext-4N-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_5R!H->C", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 O u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 O u0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R_Ext-6R!H-R", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 O u0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_N-5BrClFINOPSSi->O", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 Cl u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0", + group = +""" +1 *1 O u0 {2,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Cl ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_Ext-4BrCClNS-R_Ext-4BrCClNS-R_Ext-4BrCClNS-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,S] ux {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0", + group = +""" +1 *1 [C,O] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C", + group = +""" +1 *1 C u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [N,Br,Cl,C,O,S] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl,C,O,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 O ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 O ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,C,Br,Cl] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,S} {7,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R_Ext-3C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_4C-inRing", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} +""", + kinetics = None, +) + +entry( + index = 5373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 5374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 [O,F] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_Ext-5FO-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 [O,F] ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_5FO->O", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [N,Br,Cl] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1_Ext-4N-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 {4,S} +4 N ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_N-3C-u1", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[2,3,4] r0 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 [Br,Cl] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} {5,[S,D,T,B,Q]} +4 [Br,Cl] ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 O u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 Cl u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_4BrCl->Br", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 Br ux {3,S} +""", + kinetics = None, +) + +entry( + index = 5394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_N-4BrCl->Br", + group = +""" +1 *1 O u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 {4,S} +4 Cl u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 5395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_1BrCClHINOPSSi->I", + group = +""" +1 *1 I u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I", + group = +""" +1 *1 [N,Br,Cl,C,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 5397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 5398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_3C-u1", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_N-3C-u1", + group = +""" +1 *1 Br u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u2 r0 +""", + kinetics = None, +) + +entry( + index = 5400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br", + group = +""" +1 *1 [N,Cl,C,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 5401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 5402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_3C-u1", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_N-3C-u1", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u2 r0 +""", + kinetics = None, +) + +entry( + index = 5404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 5405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N", + group = +""" +1 *1 N u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N_Ext-1N-R", + group = +""" +1 *1 N u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 O ux {1,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O ux {1,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O ux {1,D} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O ux {1,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O ux {1,D} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O ux {1,D} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O ux {1,D} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_N-3C-u1", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u2 r0 +4 O ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,Cl,C,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,Cl,C,S] ux {1,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_1CHNO->N", + group = +""" +1 *1 N u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,D} {5,D} +5 O u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 5422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,Cl,C,S] ux {1,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,Cl,C,S] ux {1,D} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R_Ext-4BrCClFNS-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,Cl,C,S] ux {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_1CHNO->N", + group = +""" +1 *1 N u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,D} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C=5C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 5434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,D} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,D} +5 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_1CHNO->N", + group = +""" +1 *1 N u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_4NS->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S ux {1,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S ux {1,D} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,D} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 5445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,D} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,D} +5 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_6R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +5 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_1CHNO->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_N-1CHNO->C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,C,O,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,C,O,S] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 S ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C_Ext-1CHNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,S} +5 C u0 r0 {1,S} {6,D} +6 S u0 r0 {5,D} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing_Ext-1CHNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux r0 {1,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 5471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux r0 {1,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux r0 {1,[S,D,T,B,Q]} {6,[B,T]} +6 R!H ux {5,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-1CHNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,S} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_5R!H->O", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +5 O ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_N-5R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 S u0 r0 {1,S} +5 C u0 r0 {1,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,C,O] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_5R!H->Br", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 Br ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 [C,N,O,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Cl", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 Cl ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 [Br,F] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 [Br,F] ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_7BrF->Br", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 Br ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_N-7BrF->Br", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 F ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,N,O,Br] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_4BrCNO->N", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-3C-u1", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u2 r0 +4 [C,Br,O] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,D} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,D} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {1,S} +7 C u0 r0 {4,D} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_N-7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,D} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 5506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_Ext-4BrCO-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_1CHNO-inRing", + group = +""" +1 *1 [C,N,O,H] u[0,1] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_N-1CHNO-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,T} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {1,S} +7 C u0 r0 {4,T} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 5510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_4BrCO-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {7,B} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 5512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_N-4BrCO-inRing", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_7R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,T} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 5514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_N-7R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,Br,O] u0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_4BrCO->O", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-4BrCO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 [C,Br,O] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_4BrCO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 O u0 r0 {1,S} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 {1,S} {6,D} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 {1,S} {6,D} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,D} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {4,D} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,D} +5 C u0 r0 {1,S} +6 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 5525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 {1,S} {6,T} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,T} +""", + kinetics = None, +) + +entry( + index = 5526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {6,T} +5 C u0 r0 {1,S} {7,T} +6 C u0 r0 {4,T} +7 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 5527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 {1,S} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_Ext-4C-R", + group = +""" +1 *1 C u0 r1 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C u0 r1 {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {5,[S,D,T,B,Q]} {8,S} +8 C u0 r1 {7,S} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 {1,S} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-4C-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-1CHNO-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,B} +5 C u0 r0 {1,S} +6 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 5532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_N-3C-u1", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u2 r0 +4 [C,Br,O] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N", + group = +""" +1 *1 N u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,C,O,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C", + group = +""" +1 *1 N u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C_Ext-4C-R", + group = +""" +1 *1 N u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C u0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C", + group = +""" +1 *1 N u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,O,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_Ext-4BrFNOS-R", + group = +""" +1 *1 N u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,O,S] u0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_4BrFNOS->N", + group = +""" +1 *1 N u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 N u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_N-4BrFNOS->N", + group = +""" +1 *1 N u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,C,O,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 S u0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [N,F,Br,C,O] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Br u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_1CO->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Br u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_N-1CO->C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 Br u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,N,O,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,N,O,F] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C_Ext-4N-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C_Ext-4N-R", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N", + group = +""" +1 *1 [C,O] u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O,F] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O,F] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_4CFO->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 F u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_5R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,D} +5 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 5562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,C,Si] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,C,Si] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_5BrCClFINOPSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,C,F,Cl] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F_Ext-4CO-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [C,Cl] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_5CCl->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_N-5CCl->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_5BrCClFINOPSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 [N,C,F,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_5CClFN->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 [N,C,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,D} +5 [N,C,Cl] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO_Ext-5CClN-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,D} +5 [N,C,Cl] ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,T]} +5 [N,C,Cl] ux {4,[S,T]} +""", + kinetics = None, +) + +entry( + index = 5578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_5CClN->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 5579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,T]} +5 [N,Cl] ux {4,[S,T]} +""", + kinetics = None, +) + +entry( + index = 5580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_5ClN->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,T]} +5 N ux {4,[S,T]} +""", + kinetics = None, +) + +entry( + index = 5581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_N-5ClN->N", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O] u0 r0 {1,S} {5,[S,T]} +5 Cl ux {4,[S,T]} +""", + kinetics = None, +) + +entry( + index = 5582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_4CO->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_N-4CO->C", + group = +""" +1 *1 C u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 [C,O,F] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 [C,O,F] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C_Ext-4O-R", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +4 O u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_N-3C-u1", + group = +""" +1 *1 O u[0,1] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u2 r0 +4 [C,O,F] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_N-4BrCFNOS-u0", + group = +""" +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +4 O u1 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing", + group = +""" +1 *1 [C,N,O,H] u[0,1] r1 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] r1 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[B,T]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-4R!H-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] r1 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[B,T]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 [C,N,O,H] u[0,1] r1 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[B,T]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing", + group = +""" +1 *1 [C,N,O,H] u[0,1] r0 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0", + group = +""" +1 *1 [C,N,O,H] u[0,1] r0 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 {1,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_4R!H->N", + group = +""" +1 *1 [C,N,O,H] u[0,1] r0 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 N u0 {1,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_N-4R!H->N", + group = +""" +1 *1 [C,N,O,H] u[0,1] r0 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 C u0 {1,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_N-4R!H-u0", + group = +""" +1 *1 [C,N,O,H] u[0,1] r0 {2,S} {4,[B,T]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r0 +4 R!H u1 {1,[B,T]} +""", + kinetics = None, +) + +entry( + index = 5605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0", + group = +""" +1 *1 [C,N,O,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_1CHNO->O", + group = +""" +1 *1 O u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O", + group = +""" +1 *1 [N,C,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_1CHN->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_1HN->N", + group = +""" +1 *1 N u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_N-1HN->N", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0", + group = +""" +1 *1 [C,N,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_1CHNO->N", + group = +""" +1 *1 N u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_N-1CHNO->N", + group = +""" +1 *1 [C,O,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 5616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_N-3C-u1", + group = +""" +1 *1 [C,N,O,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u2 r0 +""", + kinetics = None, +) + +entry( + index = 5617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 5618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R", + group = +""" +1 *1 O u[0,1] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0", + group = +""" +1 *1 O u[0,1] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0_Ext-3C-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {5,[S,D,T,B,Q]} +4 R!H u0 {1,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_N-4R!H-u0", + group = +""" +1 *1 O u[0,1] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 R!H u[1,2,3] {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 5623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 5626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {9,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-4R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} {9,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-3C-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 O u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C", + group = +""" +1 *1 [N,P,I,Br,Cl,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-7R!H-6R!H", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 5643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_1CH->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H_Ext-5R!H-R", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} {8,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_N-Sp-5R!H-4R!H", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} {6,B} +5 C u0 r1 {4,B} +6 C u0 r1 {4,B} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 5649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_5R!H-u1", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u1 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 5652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_1CH->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 5653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_N-1CH->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 5654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 [C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S ux {1,S} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,T} +9 S ux {1,S} +10 R!H ux {8,T} +""", + kinetics = None, +) + +entry( + index = 5662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,T} +9 S u0 r0 {1,S} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[B,D]} +9 S ux {1,S} +10 R!H ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {10,[B,D]} +9 S ux {1,S} +10 R!H ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {10,[B,D]} +9 S ux {1,S} +10 C ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {10,[B,D]} +9 S ux {1,S} +10 C ux {8,[B,D]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} {10,[B,D]} +9 S ux {1,S} +10 S ux {8,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,S} {10,B} +9 S u0 r0 {1,S} +10 C u0 r1 {8,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 S ux {1,[B,D]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 S u0 r0 {1,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,T} +9 S u0 r0 {1,D} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 5673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 [C,Cl] ux {1,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 [C,Cl] ux {1,[S,D,T,B,Q]} +10 S ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 [C,Cl] ux {1,S} +10 S ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 S u0 r0 {8,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_N-Sp-9CCl-1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,D} +10 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,S} +9 [C,Cl] ux {1,[S,D,T,B,Q]} +10 R!H ux {8,S} +""", + kinetics = None, +) + +entry( + index = 5679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,S} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,S} +""", + kinetics = None, +) + +entry( + index = 5680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,S} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C", + group = +""" +1 *1 C u[0,1] r1 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux {1,S} {10,S} +9 C ux {1,S} +10 C u0 {8,S} {11,S} +11 C u0 {10,S} {12,[S,D,T,B,Q]} +12 C ux {1,S} {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] r1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux r1 {6,[B,D,T,Q]} +8 C ux r1 {1,S} {10,S} {13,[S,D,T,B,Q]} +9 C ux r1 {1,S} +10 C u0 r1 {8,S} {11,S} +11 C u0 r1 {10,S} {12,[S,D,T,B,Q]} +12 C ux r1 {1,S} {11,[S,D,T,B,Q]} +13 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-12R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,S} {10,S} {14,[S,D,T,B,Q]} +9 C u0 r1 {1,S} +10 C u0 r1 {8,S} {11,S} +11 C u0 r1 {10,S} {12,S} +12 C u0 r1 {11,S} {13,S} +13 C u0 r1 {12,S} +14 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] r1 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] r1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux r1 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux r1 {6,[B,D,T,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {10,S} {13,[S,D,T,B,Q]} +9 C ux r1 {1,[S,D,T,B,Q]} +10 C ux r1 {8,S} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] r1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux r1 {6,[B,D,T,Q]} +8 C ux {1,S} {10,S} +9 [C,Cl] ux {1,S} +10 R!H u0 {8,S} +""", + kinetics = None, +) + +entry( + index = 5686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[B,D,T,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[B,D,T,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_10R!H-u1", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 {1,[S,D,T,B,Q]} {10,[B,D,T,Q]} +9 C u0 {1,[S,D,T,B,Q]} +10 C u1 {8,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[B,D,T,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C u0 {8,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {10,[B,D,T,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C u0 {8,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0", + group = +""" +1 *1 C u0 {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r1 {1,[S,D,T,B,Q]} {10,B} +9 C u0 {1,[S,D,T,B,Q]} +10 C u0 {8,B} {11,B} +11 C u0 {10,B} +""", + kinetics = None, +) + +entry( + index = 5692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {8,B} {9,B} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,B} {10,B} +9 C u0 r1 {1,B} +10 C u0 r1 {8,B} {11,B} +11 C u0 r1 {10,B} +""", + kinetics = None, +) + +entry( + index = 5693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r1 {1,S} {10,B} +9 C u0 {1,S} +10 C u0 {8,B} {11,B} +11 C u0 {10,B} +""", + kinetics = None, +) + +entry( + index = 5694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,S} {10,B} +9 C u0 r0 {1,S} +10 C u0 r1 {8,B} {11,B} +11 C u0 r1 {10,B} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_N-11R!H-u0", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] r1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux r1 {6,[B,D,T,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} {10,[B,D,T,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C u0 r1 {8,[B,D,T,Q]} {11,B} +11 C u[1,2,3] r1 {10,B} +""", + kinetics = None, +) + +entry( + index = 5696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r0 {1,S} {10,[B,D,T,Q]} +9 C u0 {1,[S,D,T,B,Q]} +10 C u0 {8,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r0 {1,S} {10,[B,D,T,Q]} +9 C u0 {1,S} +10 C u0 {8,[B,D,T,Q]} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 {1,S} +10 C u0 {8,D} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H_Ext-9CCl-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {12,D} +10 C u0 r0 {8,D} +11 C u0 r0 {1,S} +12 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 5700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 {1,S} +10 C u0 {8,T} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H_Ext-9CCl-R", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {12,T} +10 C u0 r0 {8,T} +11 C u0 r0 {1,S} +12 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 5702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r0 {1,S} {10,[B,D,T,Q]} +9 C u0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 {8,[B,D,T,Q]} +11 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} {11,D} +10 C u0 r0 {8,D} +11 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 5704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} {11,T} +10 C u0 r0 {8,T} +11 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 5705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 {1,[S,D,T,B,Q]} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_Sp-9CCl-1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_N-Sp-9CCl-1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {1,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,B} +4 C u0 {3,B} {5,B} +5 C u0 {4,B} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 {1,[S,D,T,B,Q]} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 5709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_Sp-9CCl-1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 5710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_N-Sp-9CCl-1C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {1,D} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 5711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_N-6R!H-u0", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u[0,2,3] r1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u1 r1 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 C ux r1 {6,[B,D,T,Q]} +8 C ux {1,[S,D,T,B,Q]} {10,[B,D,T,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C u0 {8,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 Cl ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 Cl ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_9R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 Cl ux {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_N-9R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 Cl ux {1,[S,D,T,B,Q]} +9 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 [C,S] ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 [C,S] ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_8CS->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_N-8CS->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C", + group = +""" +1 *1 C u[0,1] {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 [C,S] ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C", + group = +""" +1 *1 C u[0,1] {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 C ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C", + group = +""" +1 *1 C u[0,1] {2,S} {8,D} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 S ux {1,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,D} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_N-9R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,D} +9 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 [C,S] ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_8CS->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_N-8CS->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +9 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 Cl ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 Cl ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,O,C,Si,S] ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_8R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {1,S} {9,B} +9 C u0 r1 {8,B} +""", + kinetics = None, +) + +entry( + index = 5736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux r0 {1,S} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,O,C,Si,S] ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux r0 {1,S} {9,D} +9 [N,P,F,I,Br,O,C,Si,S] ux {8,D} +""", + kinetics = None, +) + +entry( + index = 5738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_9BrCFINOPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_N-9BrCFINOPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {9,D} +9 S u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_N-Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 5741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 [S,Cl] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_8ClS->S", + group = +""" +1 *1 C u0 r0 {2,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_N-8ClS->S", + group = +""" +1 *1 C u[0,1] {2,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1] {2,S} {8,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[B,D]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {8,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[B,D]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H-8R!H", + group = +""" +1 *1 C u[0,1] {2,S} {8,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[B,D]} {9,S} +9 R!H ux {8,S} +""", + kinetics = None, +) + +entry( + index = 5749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H-8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,D} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 5751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {8,D} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 5752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_Sp-8R!H-7R!H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} {8,S} +8 R!H ux {7,S} +""", + kinetics = None, +) + +entry( + index = 5755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H u[0,2,3] {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} {8,[B,D,T,Q]} +8 R!H ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 5756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,[B,D,T,Q]} {9,[S,D,T,B,Q]} +4 C u0 {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} {6,B} +6 C u0 {5,B} {7,B} +7 C u0 {6,B} {8,B} +8 C u0 {7,B} +9 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_Sp-4R!H-=3C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,B} {9,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r1 {3,B} +""", + kinetics = None, +) + +entry( + index = 5758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_N-Sp-4R!H-=3C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[D,T,Q]} {9,[S,D,T,B,Q]} +4 C u0 r1 {3,[D,T,Q]} {5,[S,D,T,B,Q]} +5 C u0 r1 {4,[S,D,T,B,Q]} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r1 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl", + group = +""" +1 *1 Cl u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 +""", + kinetics = None, +) + +entry( + index = 5760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R", + group = +""" +1 *1 Cl u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} {6,S} +4 R!H u0 {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 5761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 Cl u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} {6,S} +4 R!H u0 {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 {3,S} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 Cl u0 {2,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} {6,S} +4 R!H u0 {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 {3,S} {8,S} +7 C ux {5,[S,D,T,B,Q]} +8 R!H u0 {6,S} +""", + kinetics = None, +) + +entry( + index = 5763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_4R!H->O", + group = +""" +1 *1 Cl u0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} {6,S} +4 O u0 r1 {3,S} {5,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 r1 {3,S} {8,S} +7 C ux r1 {5,[S,D,T,B,Q]} +8 R!H u0 r1 {6,S} +""", + kinetics = None, +) + +entry( + index = 5764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-4R!H->O", + group = +""" +1 *1 Cl u0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 r1 {3,S} {8,S} +7 C ux r1 {5,[S,D,T,B,Q]} +8 C u0 r1 {6,S} +""", + kinetics = None, +) + +entry( + index = 5765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl", + group = +""" +1 *1 [N,P,I,Br,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 5766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 [N,P,I,Br,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 [N,P,I,Br,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,D} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,D} +10 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,D} +10 C ux {1,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 5774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,D} +10 C ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 C u0 r0 {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u[0,1] {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,S} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 5778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,S} {10,D} +10 C ux {9,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,S} {11,[S,D,T,B,Q]} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,S} {10,D} +10 C ux {9,D} +11 C ux {1,[S,D,T,B,Q]} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,S} {11,[S,D,T,B,Q]} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,S} {10,D} +10 C ux r0 {9,D} +11 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 C u0 r0 {1,S} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r1 {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {1,S} {12,D} +12 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 5782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r1 {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r1 {1,S} {10,[S,T,Q,B]} +10 C u0 {9,[S,T,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,S} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,[S,T,Q,B]} {10,T} +10 C ux {9,T} +11 C u0 {1,S} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,S} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,[S,T,Q,B]} {10,T} +10 C ux r0 {9,T} +11 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {9,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 {1,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {9,[S,T,Q,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r1 {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 {1,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r1 {3,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,T,Q,B]} +8 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {9,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 5811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,T,Q,B]} {9,T} +8 C u0 {1,[S,D,T,B,Q]} {10,T} +9 C u0 {7,T} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 5812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,T,Q,B]} {9,T} +8 C u0 r0 {1,[S,D,T,B,Q]} {10,T} +9 C u0 {7,T} +10 C u0 r0 {8,T} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {9,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,T} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C u0 {7,[S,D,Q,B]} +10 C u0 r0 {1,S} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,D,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 5824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 5827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {8,[S,T,Q,B]} +8 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_N-1BrCHINOPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R", + group = +""" +1 *1 [N,P,I,Br,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 [N,P,I,Br,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +13 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H", + group = +""" +1 *1 C u[0,1] {2,S} {10,S} {11,S} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,S} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {3,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 {8,S} +10 C u0 {1,S} {13,T} +11 C ux {1,S} +12 C u0 {1,S} +13 C ux {10,T} +""", + kinetics = None, +) + +entry( + index = 5837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {10,S} {11,S} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r1 {3,S} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,S} +9 C u0 r1 {8,S} +10 C u0 r0 {1,S} {13,T} +11 C ux {1,S} {14,[S,D,T,B,Q]} +12 C u0 {1,S} +13 C ux r0 {10,T} +14 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} {13,[S,D,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +13 C ux {10,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {10,S} {11,S} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r1 {3,S} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,S} +9 C u0 r1 {8,S} +10 C u0 {1,S} {13,[S,D,Q,B]} +11 C ux {1,S} {14,[S,D,T,B,Q]} +12 C u0 {1,S} +13 C ux {10,[S,D,Q,B]} +14 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_10R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {1,[S,D,T,B,Q]} {13,[S,D,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +13 C ux {10,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_N-10R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +13 C ux {10,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {10,D} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {10,D} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,D} +11 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C u0 {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_Sp-12R!H=11R!H", + group = +""" +1 *1 C u[0,1] {2,S} {10,D} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {1,D} +11 C ux {1,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 5845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_N-Sp-12R!H=11R!H", + group = +""" +1 *1 C u[0,1] {2,S} {10,D} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {1,D} +11 C ux {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +12 C u0 r0 {11,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {1,[S,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {10,[S,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux r1 {1,[S,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_1C-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {10,[S,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {1,[S,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {10,[S,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {1,[S,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux r0 {1,S} +11 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux r0 {1,S} {12,[S,D,T,B,Q]} +11 C ux {1,S} +12 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H", + group = +""" +1 *1 C u0 {2,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} {7,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {3,S} {8,S} +8 C u0 {7,S} {9,S} +9 C u0 {8,S} +10 C u0 r0 {1,S} {12,D} +11 C u0 {1,S} +12 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 5853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H_Ext-11R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {10,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} {7,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r1 {3,S} {8,S} +8 C u0 r1 {7,S} {9,S} +9 C u0 r1 {8,S} +10 C u0 r0 {1,S} {12,D} +11 C u0 r0 {1,S} {13,D} +12 C u0 r0 {10,D} +13 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 5854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H", + group = +""" +1 *1 C u[0,1] {2,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux r0 {1,S} {12,[S,T,Q,B]} +11 C ux {1,S} +12 C ux {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {10,S} {11,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r0 {1,S} {12,[S,T,Q,B]} +11 C ux r0 {1,S} {13,[S,D,T,B,Q]} +12 C ux {10,[S,T,Q,B]} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C", + group = +""" +1 *1 C u0 {2,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} {7,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {3,S} {8,S} +8 C u0 {7,S} {9,S} +9 C u0 {8,S} +10 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_10R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} {7,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r1 {3,S} {8,S} +8 C u0 r1 {7,S} {9,S} +9 C u0 r1 {8,S} +10 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 5858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} {7,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {3,S} {8,S} +8 C u0 {7,S} {9,S} +9 C u0 {8,S} +10 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,S} {10,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} {7,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {3,S} {8,S} +8 C u0 {7,S} {9,S} +9 C u0 {8,S} +10 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} {7,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r1 {3,S} {8,S} +8 C u0 r1 {7,S} {9,S} +9 C u0 r1 {8,S} +10 C u0 r0 {1,S} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 5861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,S} {10,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} {7,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r1 {3,S} {8,S} +8 C u0 r1 {7,S} {9,S} +9 C u0 r1 {8,S} +10 C u0 r0 {1,S} {11,[S,T,Q,B]} +11 C u0 r0 {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-10R!H-1C", + group = +""" +1 *1 C u[0,1] r0 {2,S} {10,[B,D]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 5863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-1BrCHINOPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} {7,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r1 {3,S} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} {9,S} +9 C u0 r1 {8,S} +""", + kinetics = None, +) + +entry( + index = 5864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 [N,P,I,Br,O,C,Si,H,S] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C", + group = +""" +1 *1 C u0 {2,S} {9,D} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,S} {6,S} +5 C u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,S} {6,S} +5 C u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,D} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,S} {6,S} +5 C u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,D} +10 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,S} {6,S} +5 C u0 r1 {4,S} +6 C u0 r1 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,D} +10 C ux {1,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 5871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,S} {9,D} {10,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,S} {6,S} +5 C u0 r1 {4,S} +6 C u0 r1 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,D} +10 C ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 C u0 r0 {10,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,S} {6,S} +5 C u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,S} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 5875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {9,S} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,S} {6,S} +5 C u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,S} {10,D} +10 C ux {9,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {9,S} {11,[S,D,T,B,Q]} {12,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,S} {6,S} +5 C u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,S} {10,D} +10 C ux {9,D} +11 C ux {1,[S,D,T,B,Q]} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {11,[S,D,T,B,Q]} {12,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,S} {6,S} +5 C u0 r1 {4,S} +6 C u0 r1 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,S} {10,D} +10 C ux r0 {9,D} +11 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 C u0 r0 {1,S} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {9,S} {11,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,S} {6,S} +5 C u0 r1 {4,S} +6 C u0 r1 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {1,S} {12,D} +12 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 5879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u[0,1] {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing", + group = +""" +1 *1 C u0 r1 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,S} {6,S} +5 C u0 r1 {4,S} +6 C u0 r1 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,S} {11,[S,D,T,B,Q]} {12,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 {1,S} {10,[S,T,Q,B]} +10 C u0 {9,[S,T,Q,B]} +11 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 C u0 r0 {1,S} +13 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} {11,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r1 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {9,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux r0 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +10 C ux {9,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {9,[S,T,Q,B]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,S} {6,S} +5 C u0 {4,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 {1,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {9,[S,T,Q,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,S} {6,S} +5 C u0 r1 {4,S} +6 C u0 r1 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 {1,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C", + group = +""" +1 *1 C u0 {2,S} {7,D} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,D} {8,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {10,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} {10,D} +8 C ux {1,S} +9 C u0 {1,S} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 5907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,D} +8 C ux {1,S} {11,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C ux r0 {7,D} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {10,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} {9,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} {10,[S,T,Q,B]} +8 C ux {1,S} {11,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C ux {7,[S,T,Q,B]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_7R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} {10,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {9,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 {1,S} +3 *3 C u1 {4,S} +4 C u0 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {1,S} {9,D} +8 C u0 {1,S} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 5916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 5917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,T,Q,B]} {9,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 {1,S} {9,[S,T,Q,B]} +8 C u0 {1,S} {10,[S,D,T,B,Q]} +9 C ux {7,[S,T,Q,B]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {1,[S,T,Q,B]} {9,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,[S,T,Q,B]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r0 {1,[S,T,Q,B]} {9,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 {4,S} +4 C u0 r1 {3,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 5923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u[0,1] {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r1 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {7,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 C ux r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_N-1BrCHINOPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 5928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C", + group = +""" +1 *1 C u0 {2,S} {4,D} +2 *2 H u0 {1,S} +3 *3 C u1 +4 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 +4 C ux {1,D} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 +4 C ux {1,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 +4 C ux r0 {1,D} +5 C ux {1,[S,D,T,B,Q]} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 5933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} {5,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 +4 C ux r0 {1,D} +5 C ux {1,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 C ux {1,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 C ux {1,[S,T,Q,B]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u1 +4 C ux {1,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 5937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 +4 C ux {1,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {4,S} {6,[S,D,T,B,Q]} {7,S} +2 *2 H u0 {1,S} +3 *3 C u1 +4 C ux {1,S} {5,D} +5 C ux {4,D} +6 C ux {1,[S,D,T,B,Q]} +7 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,[S,D,T,B,Q]} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 +4 C ux r0 {1,S} {5,D} +5 C ux r0 {4,D} +6 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C u0 r0 {1,S} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 5941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,T,Q,B]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 C ux {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 C ux {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 C ux {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 +4 C ux {1,S} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 C ux r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {1,S} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_4R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r1 {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_N-4R!H-inRing", + group = +""" +1 *1 C u[0,1] {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r0 {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_1C-inRing", + group = +""" +1 *1 C u[0,1] r1 {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] +4 C ux {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 +4 C u0 {1,S} {5,[S,T,Q,B]} +5 C u0 {4,[S,T,Q,B]} +6 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_4R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r1 {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {4,[S,T,Q,B]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r0 {1,[S,T,Q,B]} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r1 {1,S} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u[0,1] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +4 C ux r0 {1,S} {5,[S,T,Q,B]} +5 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 5954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {4,[S,T,Q,B]} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 C u1 +4 C u0 {1,[S,T,Q,B]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {4,[S,T,Q,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 C u1 r1 +4 C u0 {1,[S,T,Q,B]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_N-1BrCHINOPSSi->C", + group = +""" +1 *1 H u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 C u[1,2,3,4] r1 +""", + kinetics = None, +) + +entry( + index = 5957, + label = "Root_N-3R->F_N-3BrCClHINOS->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 5958, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5959, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5960, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5961, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5962, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5963, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5964, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_6R!H->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5965, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_N-6R!H->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5966, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5967, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5968, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5969, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5970, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5971, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5972, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5973, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_N-7R!H->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5974, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5975, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5976, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5977, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 [O,Cl] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5978, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C_Ext-1R-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 [O,Cl] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5979, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,D} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5980, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,D} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 5981, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,D} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5982, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} {5,D} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Cl ux {1,S} +5 C ux {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5983, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 Cl u1 r0 +4 Cl u0 r0 {1,S} +5 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 5984, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_1R->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 Cl u1 r0 +4 Cl u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5985, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_N-1R->C", + group = +""" +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 Cl u1 r0 +4 Cl u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5986, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5987, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5988, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5989, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5990, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5991, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_1C-inRing", + group = +""" +1 *1 C u[0,1,2,3] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5992, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_N-1C-inRing", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5993, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-4O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 5994, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5995, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_4O-u0", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5996, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_N-4O-u0", + group = +""" +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 Cl u1 r0 +4 O u1 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 5997, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [Br,C,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5998, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [Br,C,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 5999, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_4BrCF->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 Br ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6000, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6001, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6002, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_5R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 Cl u1 r0 +4 C u0 r0 {1,S} +5 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 6003, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing", + group = +""" +1 *1 C u[0,1,2,3] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6004, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R", + group = +""" +1 *1 C u[0,1,2,3] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6005, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6006, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] r1 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6007, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6008, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 F ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6009, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 F ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6010, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 F ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6011, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 F ux {1,S} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 Cl ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6012, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 F ux {1,S} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,O,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6013, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 F ux {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6014, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r1 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6015, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r1 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6016, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6017, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6018, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6019, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6020, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6021, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6022, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [C,F] ux r0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6023, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6024, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_4C-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 6025, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6026, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6027, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6028, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6029, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6030, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,T} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,T} +""", + kinetics = None, +) + +entry( + index = 6031, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D]} +""", + kinetics = None, +) + +entry( + index = 6032, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D]} +5 Cl ux {4,[S,D]} +""", + kinetics = None, +) + +entry( + index = 6033, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D]} {6,[S,D,T,B,Q]} +5 Cl ux {4,[S,D]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6034, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 Cl ux {4,[S,D]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6035, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6036, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6037, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6038, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6039, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6040, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6041, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-Sp-5BrCClFINPSSi-4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 C ux r0 {1,S} {5,D} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 6042, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_N-4CF->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 F ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6043, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_N-1R->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [Br,C,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6044, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H,S] u[1,2,3,4] +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6045, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H,S] u[1,2,3,4] +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6046, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6047, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6048, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6049, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 +4 S u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6050, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 S u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6051, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_5R!H-inRing", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 S u0 r0 {1,S} +5 C u0 r1 {3,S} +""", + kinetics = None, +) + +entry( + index = 6052, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 S u0 {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6053, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 S u0 {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6054, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 S u0 {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6055, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 S u0 r0 {1,S} +5 C u0 r0 {3,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 6056, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 S u0 {1,S} +5 R!H u0 r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6057, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_5R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 S u0 r0 {1,S} +5 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6058, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_N-5R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 S u0 r0 {1,S} +5 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6059, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_N-5R!H-u0", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 S u0 {1,S} +5 R!H u1 r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6060, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_N-3S-u1", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u2 +4 S u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6061, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 6062, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_3S-u1", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 +4 S u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 6063, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_N-3S-u1", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[2,3,4] +4 S u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 6064, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 R!H ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6065, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +""", + kinetics = None, +) + +entry( + index = 6066, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6067, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6068, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_6C-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux r1 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6069, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6070, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6071, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_Sp-7R!H=6C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux r0 {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6072, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-Sp-7R!H=6C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 6073, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux {1,S} {5,T} +5 R!H ux {4,T} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6074, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 R!H ux {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6075, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 R!H ux r1 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6076, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux r1 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6077, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux r1 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6078, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux r1 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6079, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 6080, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux r1 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6081, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r1 {3,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 6082, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 6083, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6084, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 R!H ux r0 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6085, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux r0 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6086, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux r0 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +6 R!H ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6087, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 R!H ux r0 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6088, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 6089, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 6090, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_6R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6091, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_N-6R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6092, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 R!H ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6093, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_5R!H-inRing", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 C u0 r0 {1,S} +5 C u0 r1 {3,S} +""", + kinetics = None, +) + +entry( + index = 6094, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 R!H ux {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6095, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 R!H ux {1,S} +5 C ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6096, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 R!H ux {1,S} +5 C ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6097, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 C u0 r0 {1,S} +5 C u0 r0 {3,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 6098, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 C u0 r0 {1,S} +5 C u0 r0 {3,S} {6,T} +6 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 6099, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_N-5R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {5,S} +4 C u0 r0 {1,S} +5 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6100, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6101, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6102, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6103, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_Sp-5R!H#4C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux {1,S} {5,T} +5 R!H ux {4,T} +""", + kinetics = None, +) + +entry( + index = 6104, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6105, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_4C-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux r1 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6106, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6107, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_5R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D,Q,B]} +5 C ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6108, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_N-5R!H->C", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 C ux r0 {1,S} {5,[S,D,Q,B]} +5 S ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6109, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6110, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6111, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R_Ext-5R!H-R", + group = +""" +1 *1 S u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6112, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_N-3BrHINO->O", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6113, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_N-4R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6114, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H,S] u[1,2,3,4] +4 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6115, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H,S] u[1,2,3,4] +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6116, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_3BrHINOS->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6117, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u[1,2,3,4] +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6118, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u1 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6119, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6120, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6121, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6122, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6123, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6124, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6125, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6126, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6127, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6128, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6129, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6130, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6131, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6132, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6133, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_N-7R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6134, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6135, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_6R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6136, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_N-6R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6137, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 [C,O,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6138, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6139, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6140, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6141, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6142, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6143, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6144, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6145, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_N-6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6146, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6147, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6148, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6149, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6150, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6151, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6152, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 O u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6153, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 O u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6154, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_N-7R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6155, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6156, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 O ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6157, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_6R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 O ux {1,[S,D,T,B,Q]} +6 O ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6158, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_N-6R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 O ux {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6159, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6160, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6161, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6162, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6163, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6164, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 O u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6165, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 O u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6166, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_N-6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6167, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6168, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6169, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6170, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 O u0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6171, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 O u0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6172, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 [C,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6173, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_5CCl->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6174, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5CCl->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 Cl u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6175, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6176, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6177, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6178, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6179, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Cl ux {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6180, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6181, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6182, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6183, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6184, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6185, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6186, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6187, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_6R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6188, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_N-6R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6189, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 [O,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6190, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 Cl u0 r0 {1,S} +5 Cl u0 r0 {1,S} +6 Cl u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6191, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_5ClO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6192, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-5ClO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6193, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6194, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6195, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6196, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6197, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6198, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_5R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6199, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6200, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6201, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 F ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6202, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_6R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 F ux {1,S} +6 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6203, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_N-6R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 F ux {1,S} +6 [N,P,F,I,Br,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6204, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 [C,Cl] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6205, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6206, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 Cl ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6207, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 Cl ux {1,S} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6208, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +4 Cl ux {1,S} +5 Cl ux {1,S} +6 Cl u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6209, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6210, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl_Ext-5C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 C ux {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6211, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,D} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6212, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,O,H,S] u2 +4 Cl ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6213, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H,S] u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6214, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6215, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6216, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6217, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6218, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6219, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6220, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6221, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6222, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6223, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6224, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6225, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6226, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6227, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6228, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6229, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_N-8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6230, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6231, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6232, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6233, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6234, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6235, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 C ux r0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6236, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6237, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 S ux {5,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6238, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6239, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6240, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6241, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6242, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6243, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6244, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_7R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r1 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6245, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_N-7R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r0 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6246, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_N-9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6247, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6248, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6249, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_7R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6250, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_N-7R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6251, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_N-8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6252, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6253, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux r1 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6254, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux r1 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6255, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r1 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6256, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6257, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6258, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 C u0 {2,S} {4,S} {5,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u1 {8,S} +4 S u0 {1,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 {5,B} +7 C u0 {1,S} +8 C u0 {3,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6259, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {8,S} +4 S u0 r0 {1,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {1,S} +8 C u0 r1 {3,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6260, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {8,S} +4 S u0 r0 {1,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {1,S} +8 C u0 r0 {3,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6261, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} +6 C ux r1 {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6262, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r1 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6263, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r1 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6264, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6265, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6266, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 C u0 {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u1 {7,S} +4 S u0 {1,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 {5,B} +7 C u0 {3,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6267, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {7,S} +4 S u0 r0 {1,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r1 {3,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6268, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {7,S} +4 S u0 r0 {1,S} +5 C u0 r1 {1,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {3,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6269, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux r1 {1,S} {6,[S,D,T,B,Q]} +6 C ux r1 {5,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6270, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r1 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6271, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6272, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6273, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6274, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6275, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6276, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6277, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6278, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6279, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6280, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6281, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6282, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6283, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6284, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6285, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6286, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux r0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6287, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 [N,P,F,I,Br,Cl,O,Si,S] ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6288, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {1,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6289, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6290, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6291, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6292, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6293, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6294, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6295, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6296, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6297, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6298, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6299, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6300, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6301, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6302, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 O ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6303, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_N-5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 C ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6304, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6305, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6306, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6307, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6308, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6309, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6310, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6311, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6312, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6313, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6314, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {1,[B,D,T,Q]} +6 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6315, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6316, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6317, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6318, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6319, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6320, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 C ux r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6321, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 C ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6322, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6323, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 S ux {1,S} +5 [O,S] ux {1,[B,D,T,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6324, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6325, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6326, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6327, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6328, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6329, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_5R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r1 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6330, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6331, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6332, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,S} +5 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6333, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6334, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6335, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6336, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6337, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6338, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6339, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6340, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6341, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6342, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 6343, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6344, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6345, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6346, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6347, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6348, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6349, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6350, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6351, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6352, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6353, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6354, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6355, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6356, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6357, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6358, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6359, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6360, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6361, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6362, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6363, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6364, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6365, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6366, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6367, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6368, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6369, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6370, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6371, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6372, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6373, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6374, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6375, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6376, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6377, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6378, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6379, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6380, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6381, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6382, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6383, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6384, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6385, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6386, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6387, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6388, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6389, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6390, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6391, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6392, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6393, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {9,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6394, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {9,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6395, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {9,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6396, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {9,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} +""", + kinetics = None, +) + +entry( + index = 6397, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_10R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {9,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 6398, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_N-10R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {9,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} {10,D} +10 S ux {9,D} +""", + kinetics = None, +) + +entry( + index = 6399, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {9,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +9 C u0 r1 {3,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6400, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_N-9C-inRing", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {9,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +9 C u0 r0 {3,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6401, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_N-9R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {9,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6402, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6403, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6404, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 6405, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 6406, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,D} +9 S ux {8,D} +""", + kinetics = None, +) + +entry( + index = 6407, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux r1 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6408, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux r0 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6409, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6410, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_N-8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6411, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6412, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6413, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6414, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6415, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} +""", + kinetics = None, +) + +entry( + index = 6416, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 6417, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} {9,D} +9 S ux {8,D} +""", + kinetics = None, +) + +entry( + index = 6418, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6419, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {3,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6420, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6421, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_N-8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {8,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6422, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6423, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6424, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 6425, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 6426, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} +""", + kinetics = None, +) + +entry( + index = 6427, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 R!H ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6428, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 R!H ux r0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6429, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6430, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,S} +7 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6431, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6432, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6433, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6434, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 R!H ux {3,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} +""", + kinetics = None, +) + +entry( + index = 6435, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 R!H ux {3,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 6436, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 R!H ux {3,[S,D,T,B,Q]} {8,D} +8 S ux {7,D} +""", + kinetics = None, +) + +entry( + index = 6437, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 R!H ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6438, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 R!H ux r0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6439, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6440, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {1,D} +7 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6441, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6442, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_6R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux r1 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6443, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6444, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6445, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6446, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6447, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6448, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6449, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 C ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6450, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 S ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6451, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6452, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6453, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} +""", + kinetics = None, +) + +entry( + index = 6454, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6455, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,T} +7 R!H ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6456, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 R!H ux {6,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6457, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 S ux {6,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6458, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 S ux {6,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6459, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,Q,B]} +7 S ux {6,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6460, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {6,S} +4 C u0 {1,S} {5,B} +5 C u0 {4,B} +6 C u0 r1 {3,S} {7,[S,D,Q,B]} +7 C u0 {6,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6461, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {6,S} +4 C u0 {1,S} {5,B} +5 C u0 {4,B} +6 C u0 r1 {3,S} {7,[S,D,Q,B]} +7 C u0 {6,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6462, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r1 {3,S} {7,[S,D,Q,B]} +7 C u0 r1 {6,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6463, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {6,S} +4 C u0 {1,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {3,S} {7,[S,D,Q,B]} +7 C u0 {6,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 6464, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u0 {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {6,S} +4 C u0 {1,S} {5,B} +5 C u0 {4,B} +6 C u0 r0 {3,S} {7,[S,D,Q,B]} +7 C u0 {6,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6465, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {6,S} +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} {7,[S,D,Q,B]} +7 C u0 {6,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6466, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6467, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6468, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6469, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6470, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6471, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6472, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6473, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6474, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6475, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6476, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6477, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6478, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6479, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6480, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6481, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6482, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6483, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +""", + kinetics = None, +) + +entry( + index = 6484, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6485, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6486, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6487, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6488, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6489, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6490, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6491, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6492, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6493, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6494, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6495, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6496, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {8,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6497, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6498, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6499, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6500, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6501, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6502, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6503, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6504, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6505, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6506, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 S ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6507, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6508, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6509, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6510, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6511, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6512, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6513, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6514, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6515, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6516, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6517, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6518, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6519, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6520, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6521, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +""", + kinetics = None, +) + +entry( + index = 6522, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6523, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6524, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6525, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6526, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +7 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6527, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6528, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6529, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6530, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6531, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_N-Sp-7R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,D} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6532, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6533, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6534, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6535, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_Sp-7C-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6536, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,D} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6537, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_N-7R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6538, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6539, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6540, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 C ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6541, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6542, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6543, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 C ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6544, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6545, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6546, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 S ux {3,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6547, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6548, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6549, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 S ux {3,[S,D,T,B,Q]} +6 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6550, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6551, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6552, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6553, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Sp-5C-1C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 +4 C u0 r0 {1,S} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6554, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_N-Sp-5C-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,D} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +5 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6555, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6556, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6557, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 S u1 +4 [N,F,Br,C,O] ux {1,S} +5 S ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6558, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_N-3S-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u2 +4 [N,F,Br,C,O] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6559, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6560, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6561, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R_Ext-3S-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6562, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-3S-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6563, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6564, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6565, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 S ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6566, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 S ux {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6567, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 S ux {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6568, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O_Ext-4S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 S ux {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6569, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 S ux {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6570, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O_Ext-4S-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 S ux {1,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6571, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6572, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6573, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6574, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6575, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6576, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6577, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-5O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C ux {1,S} {5,S} +5 O ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6578, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C ux {1,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6579, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C ux {1,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6580, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_N-4BrCFNO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6581, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6582, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6583, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 Cl ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6584, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6585, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6586, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6587, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6588, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6589, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_7R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6590, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6591, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_7BrCClFINPSSi->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6592, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6593, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_5BrCF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 Br ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6594, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6595, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6596, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6597, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 F ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6598, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6599, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [Br,C,F] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6600, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6601, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6602, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6603, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6604, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_5BrCF->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6605, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-5BrCF->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,F] ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6606, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6607, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_4BrCFNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6608, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_N-4BrCFNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O ux {1,S} {5,S} +5 [Br,C,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6609, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6610, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6611, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6612, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6613, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6614, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} {7,S} +5 C u0 r0 {4,S} +6 O u0 r0 {3,S} +7 O u0 r0 {4,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6615, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6616, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O_Ext-4BrCFNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} {7,S} {8,S} +5 C u0 r0 {4,S} +6 O u0 r0 {3,S} +7 O u0 r0 {4,S} +8 C u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 6617, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_N-7R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6618, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [Br,O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6619, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_5BrClFO->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 Br ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6620, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6621, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6622, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6623, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_5ClFO->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6624, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,F] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6625, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +5 [O,F] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6626, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_5FO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +5 O ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6627, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_N-5FO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +5 F ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6628, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 [O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6629, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6630, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6631, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6632, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6633, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R_Ext-8R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6634, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6635, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6636, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6637, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6638, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {7,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} +6 O u0 r0 {3,S} +7 O u0 r0 {1,S} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6639, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Sp-7O-1CNO", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} +6 O u0 r0 {3,S} +7 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6640, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_N-Sp-7O-1CNO", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {7,D} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} +6 O u0 r0 {3,S} +7 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 6641, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6642, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} {8,[S,D,T,B,Q]} +6 O u0 {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6643, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_Sp-8R!H-5C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} {8,S} +6 O u0 r0 {3,S} +7 C u0 r0 {1,S} +8 O u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 6644, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_N-Sp-8R!H-5C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} {8,[B,D,T,Q]} +6 O u0 {3,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +8 R!H ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6645, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6646, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 O u0 r0 {3,S} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6647, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 C ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6648, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_N-4BrCFNO->C", + group = +""" +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 O u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} +6 O u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6649, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6650, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6651, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6652, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6653, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6654, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6655, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_5ClF->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6656, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_N-5ClF->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 Cl ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6657, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6658, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6659, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_Ext-6O-R_Ext-7R!H-R_Ext-6O-R_Ext-8R!H-R_Ext-6O-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 O u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6660, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6661, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 Cl ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6662, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6663, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6664, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,F] ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6665, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_5BrF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 Br ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6666, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5BrF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6667, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} +6 C u0 r0 {3,S} {7,S} +7 C u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 6668, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,S} +5 C u0 r0 {4,S} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 6669, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6670, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6671, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6672, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_7R!H->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 Br ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6673, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6674, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6675, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_7CClFINOPSSi->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 Cl ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6676, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 F ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6677, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 F ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6678, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 F ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6679, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_Sp-9C-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {9,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 F ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6680, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_N-Sp-9C-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {9,D} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 F ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6681, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 F ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6682, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 F ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +9 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6683, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6684, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 [N,P,F,I,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6685, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6686, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6687, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [O,Br,C,Cl] ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6688, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [O,Br,C,Cl] ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6689, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C_Ext-4BrCFNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [O,Br,C,Cl] ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6690, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [O,Br,C,Cl] ux {4,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6691, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C_Ext-5BrCClO-R_Ext-5BrCClO-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [O,Br,C,Cl] ux {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6692, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6693, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6694, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 O ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6695, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-6O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 O ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6696, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6697, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6698, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6699, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6700, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_8R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 Cl ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6701, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [Br,O,F] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6702, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_8BrFO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6703, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [Br,F] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6704, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 [Br,F] ux {4,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6705, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_8BrF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 Br ux {4,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6706, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_N-8BrF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 F ux {4,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6707, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r1 {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6708, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_N-1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6709, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6710, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [O,Br,C,Cl] ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6711, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r1 {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [O,Br,C,Cl] ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6712, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_N-1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [O,Br,C,Cl] ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6713, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6714, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6715, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_N-1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6716, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Int-8R!H-6CF_Ext-8R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6717, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6718, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6719, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r1 {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6720, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_N-1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6721, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6722, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6723, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} {7,[S,D,T,B,Q]} +6 [C,F] ux {1,[S,D,T,B,Q]} +7 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6724, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 [C,F] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6725, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6726, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6727, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [Br,O,F,Cl] ux {4,S} +6 C ux {1,S} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6728, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 6729, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO_Ext-6C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,D} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 C ux {1,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6730, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6731, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [Br,O,F,Cl] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6732, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 [Br,O,F,Cl] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6733, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_4BrCFNO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6734, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_N-4BrCFNO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 O ux {1,S} {5,S} +5 [Br,O,F,Cl] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6735, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6736, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6737, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6738, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_Ext-4BrCFNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6739, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6740, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 Cl ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6741, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [C,N,O,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6742, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [C,N,O,F] ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6743, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [C,N,O,F] ux {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6744, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [C,N,O,F] ux {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 O ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6745, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O_Ext-4BrCFNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {8,[S,D,T,B,Q]} +5 [C,N,O,F] ux {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 O ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6746, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_N-6R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [C,N,O,F] ux {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6747, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6748, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6749, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6750, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,O,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6751, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} +5 [N,O,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6752, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_5FNO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6753, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} +5 [N,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6754, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_5FN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} +5 N ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6755, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6756, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6757, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_Ext-4C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6758, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_6R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6759, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_N-6R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6760, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_N-4BrCFNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 O ux {1,S} {5,S} +5 [N,O,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6761, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6762, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_4BrCFNO->N", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 N ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6763, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6764, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_1NO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6765, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_N-1NO->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6766, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6767, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6768, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6769, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,O] ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6770, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,O] ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6771, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,O] ux {1,S} {5,S} +5 O ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6772, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 O ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6773, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 O ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6774, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6775, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6776, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +6 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6777, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 [N,F,Br,Cl,C] ux {4,S} +6 O ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6778, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6779, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6780, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [N,F,Br,Cl,C] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6781, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_5BrCClFN->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6782, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 [Br,F] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6783, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_5BrF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 Br ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6784, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6785, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6786, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6787, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6788, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6789, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6790, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing_Ext-6BrCClFINPSSi-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6791, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6792, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6793, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-8R!H-R_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {10,[S,D,T,B,Q]} +5 [N,F,Br,Cl,C] ux {4,S} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6794, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6795, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R_Int-7R!H-6BrCClFINPSSi", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6796, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-5BrCClFN-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6797, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6798, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_4BrCFNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 C ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6799, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_N-4BrCFNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6800, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,F,Br,Cl,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6801, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [N,F,Br,Cl,C] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6802, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_5BrCClFN->C", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6803, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [N,F,Cl] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6804, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_Ext-4BrCFNO-R", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,F,Cl] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6805, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_5ClFN->F", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6806, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_N-5ClFN->F", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 Cl ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6807, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_5BrCClFN->Cl", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 Cl ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6808, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,C,F] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6809, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_5CFN->F", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6810, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6811, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_1CN->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6812, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_N-1CN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,C] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6813, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6814, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_6R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 Cl ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6815, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 [N,P,F,I,Br,O,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6816, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_6BrCFINOPSSi->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 Br ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6817, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_N-6BrCFINOPSSi->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 F ux {4,S} +6 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6818, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6819, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[S,D,T,B,Q]} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6820, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +6 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6821, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO_Ext-5BrCClINOPSSi-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} {7,[S,D,T,B,Q]} +6 R!H ux {4,S} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6822, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[B,D,T,Q]} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +6 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6823, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} {6,[B,D,T,Q]} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +6 R!H ux {4,[B,D,T,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6824, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6825, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_Sp-6R!H-5BrCClINOPSSi", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} {6,S} +6 R!H ux {5,S} +""", + kinetics = None, +) + +entry( + index = 6826, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_N-Sp-6R!H-5BrCClINOPSSi", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6827, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6828, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,I,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6829, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6830, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_5BrCClINOPSSi->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 N ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6831, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6832, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6833, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 C ux {4,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6834, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_N-3BrHIN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 6835, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6836, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6837, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6838, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6839, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6840, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,D} +5 R!H ux {4,D} +6 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6841, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,D} +5 C ux {4,D} +6 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6842, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,D} +5 C ux {4,D} +6 S ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6843, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,D} +5 S ux {4,D} +6 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6844, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 S u0 r0 {4,D} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6845, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 R!H ux {4,T} +6 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6846, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6847, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6848, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 C ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6849, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6850, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_3BrHINO->I", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 I u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6851, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 R!H ux {4,T} +6 C ux {1,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6852, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6853, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {8,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6854, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6855, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6856, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,D} +5 C ux {4,D} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6857, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,D} +5 C ux {4,D} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6858, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_3HIN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 [N,F,Br,C,O] ux {1,S} {5,D} +5 C ux {4,D} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6859, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_N-3HIN->N", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6860, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6861, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6862, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 C ux {1,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6863, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 [N,F,Br,C,O] ux {1,S} {5,T} +5 C ux {4,T} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6864, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6865, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 S ux {4,[D,T]} +6 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6866, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C_Ext-1CNO-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6867, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 C ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6868, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 C ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6869, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {7,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 O u0 r0 {3,S} {8,S} +8 C u0 r0 {7,S} +""", + kinetics = None, +) + +entry( + index = 6870, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 C ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6871, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 {7,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 C ux {1,S} +7 R!H ux {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6872, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6873, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6874, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6875, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_Sp-5C=4BrCFNO", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 6876, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_N-Sp-5C=4BrCFNO", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 6877, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 S u0 r0 {4,D} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 6878, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {6,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 S ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6879, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_Sp-5R!H=4BrCFNO", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 6880, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_N-Sp-5R!H=4BrCFNO", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +6 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 6881, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6882, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6883, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6884, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6885, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6886, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N_Ext-3O-R", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6887, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-1NO->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6888, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6889, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C ux {1,S} {5,[D,T]} +5 O ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6890, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 O ux {4,[D,T]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6891, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 O ux {4,[D,T]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6892, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 O ux {4,[D,T]} +6 R!H ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6893, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6894, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6895, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6896, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R_Ext-3O-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {7,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} {6,S} +6 C u0 r0 {5,S} +7 O u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6897, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6898, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_6R!H->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 O u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 6899, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6900, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {3,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 6901, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_Sp-5C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,S} +7 C u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 6902, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_N-Sp-5C=4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,T} +5 C ux {4,T} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {3,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} +""", + kinetics = None, +) + +entry( + index = 6903, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_N-Sp-7R!H-6BrCClFINPSSi", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {3,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6904, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6905, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6906, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6907, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R_Ext-7R!H-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6908, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6909, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6910, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6911, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_3HIN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6912, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_N-3HIN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6913, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6914, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6915, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_1NO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6916, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_N-1NO->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6917, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6918, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_1NO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6919, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6920, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_5R!H->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N ux {1,S} {5,[D,T]} +5 O ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6921, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_N-5R!H->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6922, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 C ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6923, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_5R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 S u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 6924, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 C ux {1,S} {5,[D,T]} +5 [O,N,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6925, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_5CNO->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 C ux {1,S} {5,[D,T]} +5 N ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6926, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +4 C ux {1,S} {5,[D,T]} +5 [O,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6927, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,S} {5,[D,T]} +5 [O,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6928, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,S} {5,[D,T]} +5 [O,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6929, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,S} {5,D} +5 [O,C] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 6930, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C_Ext-5CO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,S} {5,D} +5 [O,C] ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6931, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_N-Sp-5CO=4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,S} {5,T} +5 [O,C] ux {4,T} +""", + kinetics = None, +) + +entry( + index = 6932, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,S} {5,[D,T]} +5 [O,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6933, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 C ux {1,S} {5,[D,T]} +5 [O,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6934, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 C ux {1,S} {5,[D,T]} +5 [O,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6935, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_5CO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 C ux {1,S} {5,[D,T]} +5 O ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6936, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 C ux {1,S} {5,[D,T]} +5 C ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6937, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 C ux {1,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 6938, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C_Ext-5C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 C ux {1,S} {5,D} +5 C ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6939, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_N-Sp-5C=4C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 6940, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 C ux {1,S} {5,[D,T]} +5 [O,C] ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6941, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6942, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0", + group = +""" +1 *1 [C,N,O] u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6943, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O", + group = +""" +1 *1 O u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6944, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_4BrCFNO->N", + group = +""" +1 *1 O u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 N ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6945, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_N-4BrCFNO->N", + group = +""" +1 *1 O u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 C ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6946, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O", + group = +""" +1 *1 [N,C] u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6947, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_1CN->N", + group = +""" +1 *1 N u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6948, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_N-1CN->N", + group = +""" +1 *1 C u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6949, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_N-1CNO-u0", + group = +""" +1 *1 [C,N,O] u1 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u2 +4 [N,F,Br,C,O] ux {1,S} {5,[D,T]} +5 R!H ux {4,[D,T]} +""", + kinetics = None, +) + +entry( + index = 6950, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-3BrHINO-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6951, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r1 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6952, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H] u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6953, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6954, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6955, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6956, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6957, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6958, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6959, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6960, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6961, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6962, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6963, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] r0 {2,S} {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,F,Br,C,O] ux {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6964, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6965, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_N-6R!H->S", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6966, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6967, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_N-6R!H->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} +6 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6968, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 I u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6969, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 I u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6970, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_N-1CNO->C", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 I u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6971, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 [N,F,Br,C,O,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6972, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 O ux {1,S} +""", + kinetics = None, +) + +entry( + index = 6973, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6974, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6975, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6976, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6977, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6978, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6979, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6980, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6981, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6982, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6983, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6984, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6985, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6986, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6987, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N_Ext-3O-R", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6988, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 6989, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6990, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6991, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6992, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6993, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6994, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R", + group = +""" +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {5,S} +4 O u0 r0 {1,S} +5 O u0 r0 {3,S} {6,S} +6 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 6995, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [N,C,Br,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6996, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [N,C,Br,Cl] u0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 6997, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_Sp-6R!H-5BrCClN", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [N,C,Br,Cl] u0 {3,[S,D,T,B,Q]} {6,S} +6 R!H ux {5,S} +""", + kinetics = None, +) + +entry( + index = 6998, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [N,C,Br,Cl] u0 {3,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 6999, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [N,C,Br,Cl] u0 {3,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7000, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [N,C,Br,Cl] u0 {3,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7001, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_5BrCClN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 N u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7002, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [Br,C,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7003, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_5BrCCl->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7004, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [Br,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7005, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_5BrCl->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 Br u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7006, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_N-5BrCl->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 Cl u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7007, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7008, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7009, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7010, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7011, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_N-1CNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7012, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7013, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_N-1CNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7014, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7015, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7016, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7017, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7018, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N", + group = +""" +1 *1 [C,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7019, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_Ext-5R!H-R", + group = +""" +1 *1 [C,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7020, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_5R!H->N", + group = +""" +1 *1 [C,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 N ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7021, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_N-5R!H->N", + group = +""" +1 *1 [C,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u0 {1,S} +5 [P,F,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7022, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7023, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7024, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N_Ext-1N-R", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7025, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7026, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7027, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7028, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 O u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 7029, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 O u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 7030, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7031, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_5R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7032, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 [N,P,F,I,Br,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7033, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_5BrCFINOPSSi->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 Br ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7034, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 [C,O] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7035, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 [C,O] ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7036, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 [C,O] ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7037, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7038, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CO->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 O ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7039, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,H] u[1,2,3,4] +4 O u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 7040, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_3BrHN->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 O u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 7041, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_N-3BrHN->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O u1 {1,S} +""", + kinetics = None, +) + +entry( + index = 7042, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,H] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7043, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,H] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O u1 {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7044, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 [N,F,Br,C,S] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7045, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 [N,F,Br,C,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7046, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7047, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7048, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7049, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 C u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7050, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 C u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7051, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 C u0 {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7052, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7053, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7054, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7055, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7056, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7057, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7058, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7059, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7060, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_7R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7061, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_N-7R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7062, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_5FNOS->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 N ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7063, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 F ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7064, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 F ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7065, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 F ux {1,S} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7066, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_N-6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 F ux {1,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7067, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7068, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7069, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u[1,2,3,4] +4 C u0 {1,S} +5 [N,S,O,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7070, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u[1,2,3,4] +4 C u0 {1,S} +5 S ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7071, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 S u0 r0 {1,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7072, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u[1,2,3,4] +4 C u0 {1,S} +5 [N,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7073, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_3HN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 C u0 {1,S} +5 [N,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7074, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} +5 [N,F] ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7075, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_5FN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} +5 N ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7076, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} +5 F ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7077, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} +5 F ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7078, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7079, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7080, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7081, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7082, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {7,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} +5 C u0 r0 {1,S} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7083, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7084, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7085, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7086, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {1,S} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7087, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u1 +4 C u0 {1,S} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7088, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [O,H] u1 +4 C u0 {1,S} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7089, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [O,H] u1 +4 C u0 {1,S} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7090, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_3HO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7091, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_N-3HO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {1,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7092, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_3HO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7093, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_N-3HO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7094, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_Ext-1C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} {6,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {1,S} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7095, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[2,3,4] +4 C u0 {1,S} +5 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 7096, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1_Ext-1C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,S} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[2,3,4] +4 C u0 {1,S} +5 R!H ux {1,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7097, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +5 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7098, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +5 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7099, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C u0 {1,S} +5 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7100, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7101, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 C ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7102, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} +5 C u0 r0 {1,D} {7,S} +6 O u0 r0 {3,S} +7 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 7103, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_N-3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C u0 {1,S} +5 C ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7104, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_N-3HNO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7105, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7106, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7107, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7108, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7109, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7110, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7111, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7112, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_N-6R!H-u0", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,S} +5 O u0 r0 {1,D} +6 O u1 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7113, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +4 C u0 r0 {1,S} +5 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7114, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} {5,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} +5 [N,S,O,F] ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7115, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7116, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7117, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7118, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_3N-u1", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7119, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_N-3N-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u2 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7120, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [O,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7121, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7122, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7123, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7124, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {5,S} +4 C u0 r0 {1,S} +5 O u1 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7125, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7126, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C_Ext-5C-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {5,S} +4 C u0 r0 {1,S} +5 C u0 r0 {3,S} {6,S} +6 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 7127, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7128, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7129, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7130, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7131, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_N-3O-u1", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7132, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_N-3HO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7133, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7134, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_3BrHNO->Br", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7135, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7136, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7137, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7138, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_3O-u1", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7139, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_N-3O-u1", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7140, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7141, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_3HN->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7142, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_N-3HN->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7143, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7144, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7145, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7146, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7147, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7148, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C u0 {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7149, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_N-3O-u1", + group = +""" +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7150, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_N-3HNO->O", + group = +""" +1 *1 O u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7151, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,Br,H] u[1,2,3,4] +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7152, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7153, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 F u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7154, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 F u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7155, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_5R!H->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 F u0 {1,S} +5 Br ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7156, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 F u0 {1,S} +5 [N,P,F,I,Cl,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7157, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 F u0 {1,S} +5 [N,P,F,I,Cl,O,C,Si,S] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7158, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7159, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7160, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_N-1CNO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7161, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u[1,2,3,4] +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7162, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u1 +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7163, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7164, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7165, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7166, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7167, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7168, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7169, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7170, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7171, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7172, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 C u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7173, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 C u0 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7174, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_N-7R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7175, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_N-7R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 F ux {1,[S,D,T,B,Q]} +7 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7176, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_N-6R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 [N,P,I,Br,Cl,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7177, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7178, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7179, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7180, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7181, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_N-6R!H-u0", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 F u0 r0 {1,S} +5 F u0 r0 {1,S} +6 O u1 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7182, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 [N,P,I,Br,Cl,O,C,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7183, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7184, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7185, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_6R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 O ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7186, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7187, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_Ext-5C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,C,Si,S] ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7188, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7189, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7190, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7191, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 F u0 {1,S} +5 [Br,O] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7192, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 F u0 {1,S} +5 [Br,O] ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7193, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 F u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7194, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 F u0 {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7195, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 F u0 {1,S} +5 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7196, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 F u0 {1,S} +5 C u0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7197, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 F u0 {1,S} +5 C u0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7198, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_N-5R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 F u0 {1,S} +5 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7199, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 F u0 {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7200, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7201, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7202, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N_Ext-3O-R", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 [N,Br,S] u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7203, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N", + group = +""" +1 *1 [C,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7204, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7205, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_4BrNS->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7206, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Br u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7207, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7208, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7209, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_5R!H->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 Br u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7210, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_N-5R!H->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7211, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7212, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7213, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7214, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N_Ext-3O-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 N u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7215, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 +4 Br u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7216, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7217, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7218, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 Br u0 {1,S} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7219, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7220, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7221, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7222, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7223, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7224, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [O,F] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7225, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_6FO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 O ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7226, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_N-6FO->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,S,Br,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 F ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7227, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_4BrFNS->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 Br u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7228, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [S,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7229, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_Ext-1CNO-R", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [S,F] u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7230, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [S,F] u0 {1,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7231, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [S,F] u0 {1,S} +5 [F,C,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7232, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_5CFS->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [S,F] u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7233, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [S,F] u0 {1,S} +5 [C,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7234, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 S u0 {1,S} +5 [C,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7235, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_5CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 S u0 r0 {1,S} +5 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7236, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_N-5CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} {5,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 S u0 r0 {1,S} +5 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7237, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_N-4FS->S", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 F u0 {1,S} +5 [C,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7238, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_4BrFNS->F", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 F u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7239, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [N,Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7240, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7241, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7242, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0", + group = +""" +1 *1 [C,N,O] u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7243, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_1CNO->C", + group = +""" +1 *1 C u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7244, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C", + group = +""" +1 *1 [N,O] u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7245, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N", + group = +""" +1 *1 N u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7246, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N_Ext-3N-R", + group = +""" +1 *1 N u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 {5,[S,D,T,B,Q]} +4 N u0 {1,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7247, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_N-1NO->N", + group = +""" +1 *1 O u0 {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7248, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_N-1CNO-u0", + group = +""" +1 *1 N u1 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 +4 N u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7249, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7250, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_1CNO->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7251, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7252, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_1CN->N", + group = +""" +1 *1 N u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 N u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7253, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_N-1CN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 H u1 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7254, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7255, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7256, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_4BrS->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 Br u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7257, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_N-4BrS->Br", + group = +""" +1 *1 C u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 S u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7258, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_N-1CNO->C", + group = +""" +1 *1 [N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,H] u1 +4 [Br,S] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7259, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1", + group = +""" +1 *1 [C,N,O] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u2 +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7260, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u2 +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7261, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_4BrFNS->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u2 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7262, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_N-4BrFNS->N", + group = +""" +1 *1 O u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u2 +4 [Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7263, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 [N,O,H] u2 +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7264, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_3HNO->N", + group = +""" +1 *1 N u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 N u2 r0 +4 N u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7265, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,S,Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7266, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7267, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_1CN->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7268, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_N-1CN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 N u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7269, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [Br,F] u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7270, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_4BrF->Br", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 Br u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7271, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} +2 *2 H u0 {1,S} +3 *3 O u2 +4 F u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7272, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 F u0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7273, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_5R!H->C", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 F u0 {1,S} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7274, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 F u0 {1,S} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7275, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_5BrClFINOPSSi->O", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 F u0 {1,S} +5 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7276, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7277, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O_Ext-1CN-R", + group = +""" +1 *1 [N,C] u[0,1,2,3] {2,S} {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 F u0 {1,S} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7278, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_N-4BrCFNS-u0", + group = +""" +1 *1 N u0 r0 {2,S} {4,S} +2 *2 H u0 r0 {1,S} +3 *3 N u2 r0 +4 N u1 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 7279, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D,T,Q]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7280, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 R!H ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7281, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 N ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7282, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u1 +4 N ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7283, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_3BrClHINOS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7284, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 [O,H] u1 +4 N ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7285, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_3HO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,T} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 +4 N u0 r0 {1,T} +""", + kinetics = None, +) + +entry( + index = 7286, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_N-3HO->O", + group = +""" +1 *1 C u0 r0 {2,S} {4,T} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 N u0 r0 {1,T} +""", + kinetics = None, +) + +entry( + index = 7287, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_N-3BrClHINOS-u1", + group = +""" +1 *1 C u0 r0 {2,S} {4,T} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +4 N u0 r0 {1,T} +""", + kinetics = None, +) + +entry( + index = 7288, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 [O,C,S] ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7289, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [O,C,S] ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7290, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 [O,C,S] ux {1,T} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7291, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_5R!H->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 [O,C,S] ux {1,T} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7292, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_N-5R!H->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {5,[S,D,T,B,Q]} +4 [O,C,S] ux {1,T} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7293, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 [N,Cl,H] u[1,2,3,4] +4 [O,C,S] ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7294, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_3ClHN->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +4 [O,C,S] ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7295, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [O,C,S] ux {1,T} +""", + kinetics = None, +) + +entry( + index = 7296, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl_Ext-4COS-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,T} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [O,C,S] ux {1,T} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7297, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 R!H ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7298, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7299, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7300, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7301, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_N-1R->C", + group = +""" +1 *1 N u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7302, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7303, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7304, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7305, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C", + group = +""" +1 *1 [N,P,F,I,Br,Cl,O,Si,H,S] u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7306, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C_Ext-3N-R", + group = +""" +1 *1 [N,P,F,I,Br,Cl,O,Si,H,S] u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7307, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,O,Cl] u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7308, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_3BrClO->Cl", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 Cl u1 r0 +4 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7309, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,O] u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7310, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,O] u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7311, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_3BrO->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7312, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7313, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7314, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7315, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7316, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_5R!H->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 N u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7317, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 [C,Br,O,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7318, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_5BrCClO->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 Br u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7319, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 [C,O,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7320, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_5CClO->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 Cl u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7321, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 [C,O] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7322, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_5CO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7323, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_N-5CO->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7324, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7325, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_N-3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7326, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,O] u[1,2,3,4] +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7327, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,O] u1 +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7328, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1_Ext-3BrO-R", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,O] u1 {5,[S,D,T,B,Q]} +4 O ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7329, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_N-3BrO-u1", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,O] u2 +4 O ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7330, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7331, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7332, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7333, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7334, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7335, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7336, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7337, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7338, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7339, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7340, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_6R!H->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7341, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_N-6R!H->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 [N,P,I,Br,Cl,O,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7342, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7343, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C_Ext-5C-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7344, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7345, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7346, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7347, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-4CS-R", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7348, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [Br,O,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7349, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_1R->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [Br,O,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7350, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-1R->C", + group = +""" +1 *1 N u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,D} {5,D} +5 O u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 7351, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7352, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_4CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7353, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_N-4CS->C", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 S u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 7354, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7355, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7356, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_Sp-6R!H-5R!H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,S} +5 R!H ux {4,S} {6,S} +6 R!H ux {5,S} +""", + kinetics = None, +) + +entry( + index = 7357, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_N-Sp-6R!H-5R!H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,S} +5 R!H ux {4,S} {6,[B,D]} +6 R!H ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7358, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,B} +5 R!H ux {4,B} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7359, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_Sp-6R!H-5R!H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,B} +5 R!H ux {4,B} {6,S} +6 R!H ux {5,S} +""", + kinetics = None, +) + +entry( + index = 7360, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,B} +5 R!H ux {4,B} {6,[B,D]} +6 R!H ux {5,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7361, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-8R!H-7R!H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,B} +5 R!H ux {4,B} {6,[B,D]} +6 R!H ux {5,[B,D]} +7 R!H ux {1,[S,D,T,B,Q]} {8,S} +8 R!H ux {7,S} +""", + kinetics = None, +) + +entry( + index = 7362, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,B} +5 R!H ux {4,B} {6,[B,D]} +6 R!H ux {5,[B,D]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[B,D,T,Q]} +8 R!H ux {7,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7363, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} {7,[S,D,T,B,Q]} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +4 [C,S] ux {1,[B,D]} {5,B} +5 R!H ux {4,B} {6,[B,D]} +6 R!H ux {5,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[B,D,T,Q]} +8 R!H ux {6,[S,D,T,B,Q]} {7,[B,D,T,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7364, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r1 {2,S} {4,B} {7,B} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {5,B} +5 C u0 r1 {4,B} {6,B} {10,B} +6 C u0 r1 {5,B} {8,B} {9,B} +7 C u0 r1 {1,B} {8,B} +8 C u0 r1 {6,B} {7,B} +9 C u0 r1 {6,B} +10 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 7365, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-4CS-R", + group = +""" +1 *1 C u0 r1 {2,S} {4,B} {7,B} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {5,B} {9,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} +7 C u0 r1 {1,B} {8,B} +8 C u0 r1 {7,B} +9 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 7366, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7367, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7368, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7369, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7370, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7371, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7372, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7373, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7374, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7375, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7376, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_N-1R->C", + group = +""" +1 *1 N u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 +4 C u0 r0 {1,D} {5,D} +5 O u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 7377, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7378, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u1 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7379, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u2 +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7380, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_4CNS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u2 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7381, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_N-4CNS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 N u2 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7382, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7383, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7384, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7385, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_3BrIOS-u1", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u1 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7386, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_N-3BrIOS-u1", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u2 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7387, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7388, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7389, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7390, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7391, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7392, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_5BrCClFINPSSi->Br", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} +5 Br ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7393, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} +5 [N,C,F,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7394, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +5 [N,C,F,Cl] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7395, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7396, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C_Ext-3O-R", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {7,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +5 C ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7397, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_N-5CClFN->C", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} {6,[S,D,T,B,Q]} +5 [F,Cl] ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7398, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_5CClFN->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} +5 F ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7399, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,S} +5 [C,Cl] ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7400, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F_Ext-3O-R", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {6,S} +4 C u0 r0 {1,D} {5,S} +5 C u0 r0 {4,S} +6 O u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7401, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,D} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7402, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,D} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7403, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,D} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7404, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 [N,C,S] ux {1,[B,D]} {5,D} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7405, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C_Ext-3O-R", + group = +""" +1 *1 N u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,D} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7406, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7407, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_5BrCClFINPSSi->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7408, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,C,Br,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7409, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,C,Br,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7410, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C_Ext-4CNS-R", + group = +""" +1 *1 C u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,C,Br,Cl] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7411, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,C,Br,Cl] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7412, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [S,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7413, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_3IS->S", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7414, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_N-3IS->S", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 I u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7415, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7416, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7417, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7418, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7419, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7420, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7421, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-5BrCClFINPSSi-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-7R!H-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7422, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7423, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7424, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7425, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} +""", + kinetics = None, +) + +entry( + index = 7426, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 7427, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 {3,[S,D,T,B,Q]} {7,D} +7 S ux {6,D} +""", + kinetics = None, +) + +entry( + index = 7428, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 r1 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7429, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u0 r0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7430, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_6R!H->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7431, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_N-6R!H->C", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 S u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7432, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_N-6R!H-u0", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {6,[S,D,T,B,Q]} +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7433, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7434, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7435, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7436, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_3BrIOS->S", + group = +""" +1 *1 R u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7437, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS->S", + group = +""" +1 *1 C u0 r1 {2,S} {4,B} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 +4 C u0 r1 {1,B} {5,B} +5 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 7438, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7439, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 S ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7440, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7441, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7442, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_5C-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 C ux r1 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7443, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 C ux r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7444, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 C ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7445, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 C ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7446, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 C ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 [N,P,F,I,Br,Cl,O,Si,S] ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7447, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] {5,[S,D,T,B,Q]} +4 S ux {1,[B,D]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7448, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7449, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7450, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_3BrIOS-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u1 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7451, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_N-3BrIOS-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u2 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7452, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7453, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7454, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7455, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7456, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7457, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7458, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u1 {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7459, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_N-5R!H-u0", + group = +""" +1 *1 C u0 r0 {2,S} {4,D} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {5,S} +4 C u0 r0 {1,D} +5 O u1 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7460, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_N-3O-u1", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 O u2 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7461, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S] u[1,2,3,4] +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7462, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_3BrS->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7463, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7464, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7465, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7466, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +""", + kinetics = None, +) + +entry( + index = 7467, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 7468, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux {3,[S,D,T,B,Q]} {6,D} +6 S ux {5,D} +""", + kinetics = None, +) + +entry( + index = 7469, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_5R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux r1 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7470, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 R!H ux r0 {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7471, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7472, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_N-5R!H->C", + group = +""" +1 *1 C u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {5,[S,D,T,B,Q]} +4 C ux {1,[B,D]} +5 S ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7473, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7474, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u1 +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7475, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_4CNS->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u1 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7476, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_N-4CNS->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u1 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7477, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u2 +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7478, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_4CNS->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u2 +4 N ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7479, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_N-4CNS->N", + group = +""" +1 *1 N u[0,1,2,3] {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [Br,S,O,I] u2 +4 C ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7480, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing", + group = +""" +1 *1 R u[0,1,2,3] r1 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7481, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + group = +""" +1 *1 R u[0,1,2,3] r1 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7482, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] r1 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7483, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 R u[0,1,2,3] r1 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7484, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} +""", + kinetics = None, +) + +entry( + index = 7485, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7486, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_5R!H->C", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7487, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7488, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C_Ext-4CNS-R", + group = +""" +1 *1 R u[0,1,2,3] r0 {2,S} {4,[B,D]} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,S] u[1,2,3,4] +4 [N,C,S] ux {1,[B,D]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7489, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7490, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7491, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7492, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7493, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7494, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7495, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7496, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7497, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7498, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [C,Br,O,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7499, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [C,Br,O,Cl] u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7500, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_4BrCClO->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7501, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_N-4BrCClO->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [Br,O,Cl] u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7502, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->Cl", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 Cl u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7503, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [C,Br,O] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7504, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_4BrCO->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 Br u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7505, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_N-4BrCO->Br", + group = +""" +1 *1 O u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {4,S} +4 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7506, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_N-4R!H-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7507, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_N-3O-u1", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u2 +""", + kinetics = None, +) + +entry( + index = 7508, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7509, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7510, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 N ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7511, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N_Ext-4N-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 N ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7512, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 [P,F,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7513, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 [P,F,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7514, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 [P,F,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7515, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_4BrCClFIOPSSi->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7516, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_N-4BrCClFIOPSSi->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 O ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7517, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_N-Sp-5R!H-4BrCClFIOPSSi", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 [P,F,I,Br,Cl,O,C,Si,S] ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7518, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_4BrCClFIOPSSi->Br", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 Br ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7519, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 [C,O,Cl] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7520, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_4CClO->C", + group = +""" +1 *1 O u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {4,S} +4 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7521, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_N-4CClO->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 Cl ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7522, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O", + group = +""" +1 *1 O u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7523, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl", + group = +""" +1 *1 O u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7524, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_1O-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7525, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7526, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl", + group = +""" +1 *1 O u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7527, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7528, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,H,S] u1 +""", + kinetics = None, +) + +entry( + index = 7529, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_3BrHINS->I", + group = +""" +1 *1 O u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 I u1 r0 +""", + kinetics = None, +) + +entry( + index = 7530, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S,H] u1 +""", + kinetics = None, +) + +entry( + index = 7531, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 +""", + kinetics = None, +) + +entry( + index = 7532, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7533, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7534, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7535, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7536, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 N ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7537, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 [C,O] ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7538, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_4R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 N ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 [C,O] ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7539, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_N-4R!H->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 [C,O] ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7540, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7541, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7542, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7543, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} {5,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7544, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7545, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 O ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7546, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7547, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7548, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 [N,O] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7549, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7550, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7551, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [Br,S,H] u1 +""", + kinetics = None, +) + +entry( + index = 7552, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_3BrHS->H", + group = +""" +1 *1 O u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 7553, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [Br,S] u1 +""", + kinetics = None, +) + +entry( + index = 7554, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_3BrS->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 Br u1 +""", + kinetics = None, +) + +entry( + index = 7555, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 +""", + kinetics = None, +) + +entry( + index = 7556, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br_Ext-3S-R", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7557, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_N-3BrHINS-u1", + group = +""" +1 *1 O u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,H,S] u2 +""", + kinetics = None, +) + +entry( + index = 7558, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7559, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,H,S] u1 +""", + kinetics = None, +) + +entry( + index = 7560, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_3BrHINS->Br", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 Br u1 +""", + kinetics = None, +) + +entry( + index = 7561, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,H] u1 +""", + kinetics = None, +) + +entry( + index = 7562, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 +""", + kinetics = None, +) + +entry( + index = 7563, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7564, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7565, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_5R!H->O", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7566, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7567, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_4R!H->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 N ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7568, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_N-4R!H->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7569, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7570, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7571, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 [C,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7572, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_Ext-3N-R", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} {5,[S,D,T,B,Q]} +4 [C,O] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7573, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_4CO->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7574, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_N-4CO->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 O ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7575, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7576, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7577, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 [N,O] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7578, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7579, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7580, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [I,H] u1 +""", + kinetics = None, +) + +entry( + index = 7581, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_3HI->I", + group = +""" +1 *1 O u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 I u1 r0 +""", + kinetics = None, +) + +entry( + index = 7582, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_N-3HI->I", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 H u1 +""", + kinetics = None, +) + +entry( + index = 7583, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_N-3BrHINS-u1", + group = +""" +1 *1 O u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,H,S] u2 +""", + kinetics = None, +) + +entry( + index = 7584, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O", + group = +""" +1 *1 [N,F,I,Br,Cl,C,H,S] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7585, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I", + group = +""" +1 *1 I u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7586, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1", + group = +""" +1 *1 I u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u1 +""", + kinetics = None, +) + +entry( + index = 7587, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O", + group = +""" +1 *1 I u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7588, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R", + group = +""" +1 *1 I u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7589, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_N-3BrClHINOS->O", + group = +""" +1 *1 I u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 7590, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_N-3BrClHINOS-u1", + group = +""" +1 *1 I u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +""", + kinetics = None, +) + +entry( + index = 7591, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I", + group = +""" +1 *1 [N,F,Br,Cl,C,H,S] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7592, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7593, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_3BrClHINOS->Br", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 Br u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7594, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7595, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Cl,O,H,S] u1 +""", + kinetics = None, +) + +entry( + index = 7596, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7597, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7598, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7599, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7600, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C_Ext-4C-R", + group = +""" +1 *1 F u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {4,S} +4 C u0 r0 {3,S} {5,S} +5 C u0 r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 7601, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [O,F] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7602, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_4FO->O", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7603, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_N-4FO->O", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 F u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7604, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_N-4R!H-u0", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7605, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [Cl,H] u1 +""", + kinetics = None, +) + +entry( + index = 7606, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_3ClH->Cl", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u1 +""", + kinetics = None, +) + +entry( + index = 7607, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_N-3ClH->Cl", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 H u1 +""", + kinetics = None, +) + +entry( + index = 7608, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_N-3ClHINOS-u1", + group = +""" +1 *1 F u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Cl,O,H,S] u2 +""", + kinetics = None, +) + +entry( + index = 7609, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F", + group = +""" +1 *1 [N,Br,Cl,C,H,S] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7610, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S", + group = +""" +1 *1 S u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7611, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S", + group = +""" +1 *1 S u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7612, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7613, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 +""", + kinetics = None, +) + +entry( + index = 7614, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7615, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7616, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_Sp-5R!H#4R!H", + group = +""" +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 7617, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 7618, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing", + group = +""" +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 7619, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing", + group = +""" +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 7620, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_4R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {4,S} +4 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7621, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_N-4R!H->C", + group = +""" +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {4,S} +4 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7622, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_N-3S-u1", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u2 +""", + kinetics = None, +) + +entry( + index = 7623, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0", + group = +""" +1 *1 S u1 {2,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7624, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R", + group = +""" +1 *1 S u1 {2,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7625, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_4R!H-u0", + group = +""" +1 *1 S u1 {2,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7626, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_N-4R!H-u0", + group = +""" +1 *1 S u1 {2,S} +2 *2 H u0 {1,S} +3 *3 S u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7627, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S", + group = +""" +1 *1 S u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7628, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7629, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7630, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7631, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R_Ext-4R!H-R", + group = +""" +1 *1 S u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7632, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_N-3BrClHINO->O", + group = +""" +1 *1 S u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 7633, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_N-1S-u0", + group = +""" +1 *1 S u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7634, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S", + group = +""" +1 *1 [N,Br,Cl,C,H] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7635, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7636, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u1 +""", + kinetics = None, +) + +entry( + index = 7637, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7638, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7639, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7640, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7641, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [Br,C] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7642, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4BrC->Br", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 Br u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7643, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4BrC->Br", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7644, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7645, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_N-3BrClHINOS->O", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 H u1 +""", + kinetics = None, +) + +entry( + index = 7646, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_N-3BrClHINOS-u1", + group = +""" +1 *1 Br u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u2 +""", + kinetics = None, +) + +entry( + index = 7647, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br", + group = +""" +1 *1 [N,C,Cl,H] u[0,1,2,3] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7648, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2", + group = +""" +1 *1 [N,C,Cl,H] u2 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7649, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_3BrClHINOS->N", + group = +""" +1 *1 [N,C,Cl,H] u2 {2,S} +2 *2 H u0 {1,S} +3 *3 N u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7650, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N", + group = +""" +1 *1 [N,C,Cl,H] u2 {2,S} +2 *2 H u0 {1,S} +3 *3 [I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7651, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1", + group = +""" +1 *1 [N,C,Cl,H] u2 {2,S} +2 *2 H u0 {1,S} +3 *3 [I,Br,Cl,O,H,S] u1 +""", + kinetics = None, +) + +entry( + index = 7652, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_3BrClHIOS->O", + group = +""" +1 *1 [N,C,Cl,H] u2 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7653, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_N-3BrClHIOS->O", + group = +""" +1 *1 N u2 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 7654, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_N-3BrClHIOS-u1", + group = +""" +1 *1 N u2 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +""", + kinetics = None, +) + +entry( + index = 7655, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2", + group = +""" +1 *1 [N,C,Cl,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7656, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7657, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u1 +""", + kinetics = None, +) + +entry( + index = 7658, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7659, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7660, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7661, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7662, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [C,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7663, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4CCl->C", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7664, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4CCl->C", + group = +""" +1 *1 Cl u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {4,S} +4 Cl u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7665, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0", + group = +""" +1 *1 Cl u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {4,S} +4 O u1 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7666, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_N-3BrClHINOS->O", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 H u1 +""", + kinetics = None, +) + +entry( + index = 7667, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_N-3BrClHINOS-u1", + group = +""" +1 *1 Cl u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u2 +""", + kinetics = None, +) + +entry( + index = 7668, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,Cl,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7669, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7670, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0", + group = +""" +1 *1 [N,C,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7671, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_1CHN->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7672, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_N-1CHN->C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7673, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_N-1CHN-u0", + group = +""" +1 *1 [N,C,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 Cl u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7674, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,I,Br,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7675, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 I u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7676, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_1CHN->C", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 I u1 r0 +""", + kinetics = None, +) + +entry( + index = 7677, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_N-1CHN->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 I u1 r0 +""", + kinetics = None, +) + +entry( + index = 7678, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,O,H,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7679, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7680, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7681, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7682, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7683, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7684, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7685, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7686, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [C,Br,O,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7687, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7688, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 O u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7689, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [Br,C,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7690, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7691, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7692, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7693, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7694, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7695, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7696, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_N-1C-u0", + group = +""" +1 *1 C u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7697, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [Br,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7698, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 Br u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7699, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 Cl u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7700, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_N-4R!H-u0", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u1 r0 {4,S} +4 O u1 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7701, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_N-3O-u1", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u2 +""", + kinetics = None, +) + +entry( + index = 7702, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C", + group = +""" +1 *1 [N,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7703, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7704, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7705, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7706, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7707, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7708, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_4R!H->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7709, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_N-4R!H->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7710, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7711, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7712, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7713, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7714, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7715, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7716, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_5R!H->C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7717, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_N-5R!H->C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 N u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 O ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7718, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [C,Br,O,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7719, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 O u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7720, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R_Ext-5R!H-R", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 O u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7721, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [Br,C,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7722, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7723, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7724, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_Sp-5R!H-4C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 7725, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-4C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 7726, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 [Br,Cl] u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7727, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 Br u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7728, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 Cl u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7729, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_N-4R!H-u0", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 {4,[S,D,T,B,Q]} +4 R!H u[1,2,3] {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7730, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u2 +""", + kinetics = None, +) + +entry( + index = 7731, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_1HN->N", + group = +""" +1 *1 N u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 O u2 r0 +""", + kinetics = None, +) + +entry( + index = 7732, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 O u2 +""", + kinetics = None, +) + +entry( + index = 7733, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7734, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_3O-u1", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u1 +""", + kinetics = None, +) + +entry( + index = 7735, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_N-3O-u1", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 O u2 +""", + kinetics = None, +) + +entry( + index = 7736, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O", + group = +""" +1 *1 [N,C,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S,H] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7737, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S,H] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7738, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_3BrHNS->H", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 7739, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7740, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u1 +""", + kinetics = None, +) + +entry( + index = 7741, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 +""", + kinetics = None, +) + +entry( + index = 7742, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7743, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7744, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7745, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7746, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7747, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 [O,S] ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7748, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_5OS->O", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 O ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7749, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_N-5OS->O", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 S ux {4,D} +""", + kinetics = None, +) + +entry( + index = 7750, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_4C-inRing", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7751, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-4C-inRing", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7752, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7753, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br] u1 +""", + kinetics = None, +) + +entry( + index = 7754, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br] u1 +""", + kinetics = None, +) + +entry( + index = 7755, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 +""", + kinetics = None, +) + +entry( + index = 7756, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7757, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7758, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 R!H ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7759, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_4R!H->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 N ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7760, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_N-4R!H->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7761, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_N-Sp-4R!H-3N", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,D} +4 C u0 r0 {3,D} {5,D} +5 O u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 7762, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7763, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7764, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 [N,O] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7765, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} {5,[S,D,T,B,Q]} +4 [N,O] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7766, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7767, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 O ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7768, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7769, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7770, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 [N,O] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7771, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,S} +4 N u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7772, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7773, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_N-3BrN->N", + group = +""" +1 *1 C u0 {2,S} +2 *2 H u0 {1,S} +3 *3 Br u1 +""", + kinetics = None, +) + +entry( + index = 7774, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0", + group = +""" +1 *1 C u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br] u1 +""", + kinetics = None, +) + +entry( + index = 7775, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_3BrN->N", + group = +""" +1 *1 C u1 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 +""", + kinetics = None, +) + +entry( + index = 7776, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_N-3BrN->N", + group = +""" +1 *1 C u1 {2,S} +2 *2 H u0 {1,S} +3 *3 Br u1 +""", + kinetics = None, +) + +entry( + index = 7777, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u2 +""", + kinetics = None, +) + +entry( + index = 7778, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_3BrNS->N", + group = +""" +1 *1 C u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u2 r0 +""", + kinetics = None, +) + +entry( + index = 7779, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_N-3BrNS->N", + group = +""" +1 *1 C u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [Br,S] u2 +""", + kinetics = None, +) + +entry( + index = 7780, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C", + group = +""" +1 *1 [N,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S,H] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7781, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H", + group = +""" +1 *1 [N,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7782, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7783, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_1HN->N", + group = +""" +1 *1 N u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 7784, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_N-1HN->N", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 H u1 r0 +""", + kinetics = None, +) + +entry( + index = 7785, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_N-1HN-u0", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 H u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7786, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H", + group = +""" +1 *1 [N,H] u[0,1] {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7787, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7788, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u1 +""", + kinetics = None, +) + +entry( + index = 7789, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 +""", + kinetics = None, +) + +entry( + index = 7790, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7791, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7792, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7793, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H#4C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,T} +5 R!H ux {4,T} +""", + kinetics = None, +) + +entry( + index = 7794, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,Q,B]} +5 R!H ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 7795, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,Q,B]} +5 C ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 7796, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_4C-inRing", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[S,D,Q,B]} +5 C ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 7797, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_N-4C-inRing", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[S,D,Q,B]} +5 C ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 7798, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-5R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 S u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,Q,B]} +5 S ux {4,[S,D,Q,B]} +""", + kinetics = None, +) + +entry( + index = 7799, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 S u1 r0 {4,S} +4 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7800, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br] u1 +""", + kinetics = None, +) + +entry( + index = 7801, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 +""", + kinetics = None, +) + +entry( + index = 7802, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7803, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7804, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7805, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7806, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7807, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7808, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7809, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_N-Sp-4C-3N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7810, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,O,Si,S] ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7811, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_1HN->N", + group = +""" +1 *1 N u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,D} +4 C u0 r0 {3,D} {5,D} +5 O u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 7812, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_N-1HN->N", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,D} +4 C u0 r0 {3,D} {5,D} +5 O u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 7813, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7814, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7815, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7816, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7817, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7818, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7819, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,[S,D,T,B,Q]} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7820, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7821, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} {5,[S,D,T,B,Q]} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7822, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} {5,[S,D,T,B,Q]} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7823, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} {5,[S,D,T,B,Q]} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7824, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7825, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_4BrClFINOPSSi->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7826, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_N-4BrClFINOPSSi->N", + group = +""" +1 *1 N u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,D} +4 O u0 r0 {3,D} +""", + kinetics = None, +) + +entry( + index = 7827, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7828, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_4BrClFINOPSSi->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,D} +4 N ux {3,D} +""", + kinetics = None, +) + +entry( + index = 7829, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_N-4BrClFINOPSSi->N", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,D} +4 O u0 r0 {3,D} +""", + kinetics = None, +) + +entry( + index = 7830, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7831, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7832, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7833, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 [N,P,F,I,Br,Cl,O,Si,S] ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7834, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 N ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7835, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_1HN->N", + group = +""" +1 *1 N u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,S} +4 N u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7836, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_N-1HN->N", + group = +""" +1 *1 H u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,S} +4 N u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7837, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7838, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7839, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u1 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7840, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_N-3BrN->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 Br u1 +""", + kinetics = None, +) + +entry( + index = 7841, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u2 +""", + kinetics = None, +) + +entry( + index = 7842, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u2 +""", + kinetics = None, +) + +entry( + index = 7843, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N", + group = +""" +1 *1 N u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u2 +""", + kinetics = None, +) + +entry( + index = 7844, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N_Ext-3N-R", + group = +""" +1 *1 N u0 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u2 r0 {4,S} +4 N u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7845, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_N-1HN->N", + group = +""" +1 *1 H u0 {2,S} +2 *2 H u0 {1,S} +3 *3 N u2 +""", + kinetics = None, +) + +entry( + index = 7846, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_N-3BrNS->N", + group = +""" +1 *1 [N,H] u0 {2,S} +2 *2 H u0 {1,S} +3 *3 [Br,S] u2 +""", + kinetics = None, +) + +entry( + index = 7847, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u[1,2,3,4] +""", + kinetics = None, +) + +entry( + index = 7848, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u[1,2,3,4] {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 7849, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u[1,2,3,4] {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 7850, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_4R!H-u0", + group = +""" +1 *1 N u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,S} +4 N u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7851, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_N-4R!H-u0", + group = +""" +1 *1 N u1 r0 {2,S} +2 *2 H u0 r0 {1,S} +3 *3 N u1 r0 {4,S} +4 N u1 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 7852, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_N-Sp-4R!H-3BrNS", + group = +""" +1 *1 [N,H] u1 {2,S} +2 *2 H u0 {1,S} +3 *3 [N,Br,S] u[1,2,3,4] {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} +""", + kinetics = None, +) + +tree( +""" +L1: Root + L2: Root_3R-u3 + L3: Root_3R-u3_1R->C + L3: Root_3R-u3_N-1R->C + L4: Root_3R-u3_N-1R->C_1BrClFHINOS->N + L4: Root_3R-u3_N-1R->C_N-1BrClFHINOS->N + L5: Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0 + L6: Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_1HO->O + L6: Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_N-1HO->O + L5: Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_N-1HO-u0 + L2: Root_3R->F + L3: Root_3R->F_Ext-1R-R + L4: Root_3R->F_Ext-1R-R_4R!H->O + L5: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0 + L6: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R + L7: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C + L8: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_Sp-4O-1R + L8: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_N-Sp-4O-1R + L7: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_N-5R!H->C + L6: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R + L7: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_1R->C + L7: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_N-1R->C + L6: Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_N-Sp-4O-1R + L5: Root_3R->F_Ext-1R-R_4R!H->O_N-4O-u0 + L4: Root_3R->F_Ext-1R-R_N-4R!H->O + L5: Root_3R->F_Ext-1R-R_N-4R!H->O_Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R + L5: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R + L6: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F + L7: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C + L8: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R + L13: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl + L13: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl + L14: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_7BrCFINOPSSi->Br + L14: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br + L15: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R + L16: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R_Ext-5C-R + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl + L13: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_6R!H->F + L13: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_N-6R!H->F + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_N-5ClF->Cl + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_N-Sp-5R!H-1C + L7: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_N-1R->C + L6: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F + L7: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R + L8: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R_Ext-4C-R + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R_Ext-1R-R + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-1R + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-1R-R + L8: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C_Ext-1R-R + L7: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C + L8: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C + L13: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C_Ext-4C-R + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_N-Sp-4C-1C + L10: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Sp-4C-1C + L12: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C + L13: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C_Ext-4C-R + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-4C-R + L11: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-5BrCClINOPSSi-R + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Sp-4C-1C + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_N-Sp-4C-1C + L8: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_4BrCl->Br + L9: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_N-4BrCl->Br + L7: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C + L8: Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C_Ext-4BrCCl-R + L3: Root_3R->F_1R->O + L4: Root_3R->F_1R->O_1O-u0 + L4: Root_3R->F_1R->O_N-1O-u0 + L3: Root_3R->F_N-1R->O + L4: Root_3R->F_N-1R->O_1BrCClH->Br + L4: Root_3R->F_N-1R->O_N-1BrCClH->Br + L5: Root_3R->F_N-1R->O_N-1BrCClH->Br_1CClH->Cl + L5: Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl + L6: Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_1CH->C + L6: Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_N-1CH->C + L2: Root_N-3R->F + L3: Root_N-3R->F_3BrCClHINOS->C + L4: Root_N-3R->F_3BrCClHINOS->C_1R-u2 + L4: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2 + L5: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0 + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_4C-inRing + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-4C-inRing + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_N-4R!H->C + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Sp-6R!H-3C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_N-Sp-6R!H-3C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_N-9R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_N-8R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_N-9R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_N-8R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_7C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_9R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_Sp-5C#4R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_4R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_N-4R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_7C-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_N-7C-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_4R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_N-4R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_4R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-4R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_Sp-5C=4R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_4R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_N-4R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Sp-5C=4R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_4R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_Sp-5C=4R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_N-Sp-5C=4R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_Sp-5C#4R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_4R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_N-4R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_4R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_Sp-5C=4R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_4R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_Sp-5C=4R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_N-Sp-5C=4R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_4R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_Sp-5C=4R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_Sp-5C=4R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_4R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_Sp-5C=4R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_Sp-5C=4R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_4R!H-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_Sp-5C=4R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_N-Sp-5C=4R!H + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-6R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_6C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-6R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_N-Sp-4R!H-3C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_8C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_9R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_N-9R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_N-7R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_7C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_N-7C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_N-6R!H->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_N-6R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_N-6R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C#6C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_6C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_N-6C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_N-4CO->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_5R!H->O + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H#7C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_7C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_N-7C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_N-7R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_Sp-8R!H=7C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_N-Sp-8R!H=7C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_N-7R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_N-6R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_N-6R!H->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C#5C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_5C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_N-5C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_5C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_5R!H->O + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_4C-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_5BrCClFINPSSi->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_N-5BrCClFINPSSi->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_N-4R!H->C + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0 + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0_Ext-3C-R + L5: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_6R!H->Cl + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_N-6R!H->Cl + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3C-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_7R!H->Cl + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br_Ext-5C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_N-5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_N-5R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_N-5R!H->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-3C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-4BrCO-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-5C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R_Ext-6C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R_Ext-4BrCO-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_5BrClFINOPSSi->O + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_N-5BrClFINOPSSi->O + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O_Ext-3C-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R_Ext-3C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_4BrC->Br + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_N-4BrC->Br + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_5R!H->Br + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_N-5R!H->Br + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_N-Sp-4C=3C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C + L5: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0 + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_N-5R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_4R!H->N + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_N-4R!H->N + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_N-1O-u0 + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_Sp-5R!H=1BrBrCCClClHHIINN + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN_Ext-1BrCClHIN-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_1BrCClHIN->H + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_1CClN->N + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_N-1CClN->N + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_1BrCClHIN->Cl + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0 + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_1CHN->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C_Ext-4C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_N-4C-u0 + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C_Ext-4C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_N-6R!H->F + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0 + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_6R!H->O + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_5R!H->Br + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_5CClF->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_N-5CClF->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_5R!H->F + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_N-Sp-5R!H-4C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0 + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-5R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C_Ext-4C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_6R!H->O + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_6R!H->S + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_Sp-6CF=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_N-Sp-6CF=5C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_N-5CClS->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_Sp-6R!H#1BrBrBrCCCClClClNNN + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_8R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_N-8R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_N-Sp-8R!H=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_Sp-8C=5C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_N-Sp-8C=5C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_N-8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_Sp-8C=5C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_N-Sp-8C=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_Sp-8C=5C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_N-Sp-8C=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_9R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_N-9R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_Sp-8C=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_N-Sp-8C=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_N-8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_8R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_N-8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R_Ext-1BrCClN-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_9R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_N-9R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Ext-1BrCClN-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_Sp-7R!H=6R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_N-Sp-7R!H=6R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Sp-7R!H=6R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_N-Sp-7R!H=6R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H_Ext-1BrCClN-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_Sp-7R!H=6R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_N-Sp-7R!H=6R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Sp-7R!H=6R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_N-Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_N-8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_N-8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-1BrCClN-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_Ext-9BrCClFINOPSi-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_Sp-8C=5R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_N-Sp-8C=5R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Sp-8C=5R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_N-Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-Sp-8C=5R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_6R!H-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_N-6R!H-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_6R!H-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing_Ext-9BrCClFINOPSi-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_N-6R!H-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_6R!H-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-6R!H-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_Sp-7R!H#6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_6R!H-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_N-6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_Sp-7R!H=6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_N-Sp-7R!H=6R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H_Ext-1BrCClN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_Sp-7R!H=6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_N-Sp-7R!H=6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_6R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_Sp-7R!H=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Sp-9R!H=5R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_N-Sp-9R!H=5R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Sp-9R!H=5R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_N-Sp-9R!H=5R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-9R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-10R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_N-1BrCClN-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_Sp-8R!H=5R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_N-Sp-8R!H=5R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-1BrCClN-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-1BrCClN-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_8R!H->S + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_N-8R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Sp-7C=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_N-Sp-7C=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_Sp-7C=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_N-Sp-7C=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_Sp-7C=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_N-Sp-7C=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_Sp-7C=5C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_N-Sp-7C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_Sp-7C-1BrCClN + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_N-Sp-7C-1BrCClN + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_Sp-7S-1BrCClN + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_N-Sp-7S-1BrCClN + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_N-8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_N-8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_N-Sp-7R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-1BrCClN-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_N-8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_N-7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_N-Sp-7R!H=5R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_N-6R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_N-5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R_Ext-4C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C_Ext-4C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C_Ext-4C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R_Ext-1BrCHN-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-1BrCHN-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-4C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN_Ext-4C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_6R!H->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_8R!H->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_8BrCFINOPSSi->Br + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_N-8BrCFINOPSSi->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_8BrCFINOPSSi->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_N-8BrCFINOPSSi->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_8R!H->F + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_N-8R!H->F + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R_Ext-6C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_6BrFO->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_N-6BrFO->O + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_N-8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_N-8R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_N-7R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_Sp-7R!H=6C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_N-Sp-7R!H=6C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_N-6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_N-7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_5BrCO->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_N-5BrCO->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_N-1BrCHN-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN_Ext-5BrCO-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-9R!H-R_Ext-5BrCO-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-5BrCO-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R_Ext-5BrCO-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-1BrCHN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-1BrCHN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-1BrCHN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-1BrCHN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R_Ext-1BrCHN-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C_Ext-8R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_N-Sp-8R!H-4C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-6C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO_Ext-4C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_Sp-5O-1BrCHN + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_N-Sp-5O-1BrCHN + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_N-Sp-6R!H-4C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_5BrC->Br + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R_Ext-1BrCHN-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-1BrCHN-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-4C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-5R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_5R!H->Br + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_6R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_N-6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_N-5CClF->F + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N_Ext-4C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_N-1BrN->N + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_N-5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_N-5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_Sp-9R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_Sp-8R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_N-Sp-8R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_Sp-8R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_N-Sp-8R!H=5C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_Sp-10R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_N-Sp-10R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_Sp-9R!H=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_N-Sp-9R!H=5C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_Sp-9R!H=5C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_N-Sp-9R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Sp-9R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_N-Sp-9R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_9R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_N-9R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_Sp-9R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_N-Sp-9R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_N-6R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_N-6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_6R!H-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_N-6R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_6R!H-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_6R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_N-6R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C_Ext-1BrCClHINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Ext-1BrCClHINOPSSi-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_1BrCClHINOPSSi-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_Ext-1BrCClHINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Ext-1BrCClHINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C_Ext-1BrCClHINOPSSi-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_Sp-7C=6R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_N-Sp-7C=6R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-9R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-9R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-8R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-8R!H=5C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-1BrCClHINOPSSi-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C_Ext-1BrCClHINOPSSi-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_N-5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_N-5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_N-5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_7R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_Ext-1C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C_Ext-1C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_6R!H->S + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_N-6R!H->S + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_N-6R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_N-Sp-7R!H=6R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_N-6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_1C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_Sp-7R!H=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_N-Sp-7R!H=5C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_5R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_Sp-6C=5R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_N-Sp-6C=5R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_N-6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_Ext-5C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_N-1BrCClHINOPSSi->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_N-5R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_4NO->N + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-7R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_6R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_N-6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-6R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_N-6R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_6R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-3C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_6CClF->Cl + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_6BrCF->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C_Ext-5BrCFINOPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_N-Sp-6R!H-5BrCFINOPSSi + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_6BrClFINOPSSi->O + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_N-6BrClFINOPSSi->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_6R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_N-6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_N-1C-u0 + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_1HNO->N + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C_Ext-6C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_N-6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_5BrCCl->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_5BrCl->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_N-5BrCl->Br + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_N-6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0 + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_4NO->N + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_5R!H->F + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_1HN->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_N-1HN->N + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0 + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_4NO->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_5R!H->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_5R!H->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_5BrF->Br + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_7R!H->Br + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_7CClFINOPSSi->Cl + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_N-7CClFINOPSSi->Cl + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_N-6R!H->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_9R!H->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_5R!H->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_8R!H->O + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_8BrClF->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_8ClF->Cl + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_N-8ClF->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_N-5CF->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_8R!H->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_8ClF->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_N-8ClF->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0 + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_6R!H->F + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_6BrCCl->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_7R!H->O + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_7BrCClFINPSSi->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_7ClF->Cl + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_N-7ClF->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_N-6CCl->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_N-5R!H->F + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0 + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_6R!H->F + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_N-6R!H->F + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_7R!H->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_7ClF->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_N-7ClF->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_N-5BrCF->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_6R!H->F + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_N-6R!H->F + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_5BrF->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_N-5BrF->Br + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_9R!H->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_9BrF->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_N-9BrF->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_9R!H->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_9BrF->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_N-9BrF->Br + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_9CClFINOPSSi->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_N-9CClFINOPSSi->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_9CClFINOPSSi->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_N-9CClFINOPSSi->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_8R!H->Cl + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_8BrCFINOPSSi->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_8R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_8BrClFINOPSSi->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_8ClF->Cl + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_N-8ClF->Cl + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_8R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_8CClFINOPSSi->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_N-8CClFINOPSSi->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_10R!H->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_10CClFINOPSSi->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_9R!H->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_8R!H->Cl + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_8BrCFINOPSSi->Br + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_N-8BrCFINOPSSi->Br + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_7R!H->Br + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_7CClFINOPSSi->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_N-7CClFINOPSSi->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_7R!H->Cl + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_N-7R!H->Cl + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_8R!H->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_N-8CClF->F + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_9R!H->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_8R!H->Cl + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_8BrF->Br + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_N-8BrF->Br + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_N-9BrCClFINPSSi->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_9BrCClFINPSSi->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_N-9BrCClFINPSSi->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R_Ext-7R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_8BrClFINOPSSi->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_N-6ClF->F + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_N-8R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_N-7BrCClO->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_Sp-7O-1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_N-Sp-7O-1C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_7BrCCl->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_7BrCl->Br + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_N-7BrCl->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_6ClF->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_N-6ClF->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_6R!H->F + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_6BrCl->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_N-6BrCl->Br + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_N-5BrClF->F + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_6R!H->Cl + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_Sp-6O-1C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_N-5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_9R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_9CClFINOPSSi->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R_Ext-7R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_5R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_N-5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_N-5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_N-5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-6C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R_Ext-6C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_N-5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0 + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0 + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_N-5R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_1ClHO->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_N-5R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_N-5R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_1BrCClHINOPSSi->Cl + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_1BrCHO->Br + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0 + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_1CHO->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_N-1CHO->O + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO_Ext-1CHO-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_N-5O-u0 + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_Ext-1CHO-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_7ClF->Cl + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl_Ext-1CHO-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-1CHO-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-1CHO-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-1CHO-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C_Ext-1CHO-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_N-5BrCClFINPSSi->F + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_6R!H->O + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_1CHO->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_N-1CHO->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_1CHO->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_N-1CHO->O + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_1CHO->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_1HO->O + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_N-1HO->O + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_N-1HO-u0 + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_4BrCClNOS->O + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_N-4BrCClNOS->O + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C_Ext-4C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_4BrO->Br + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_N-4BrO->Br + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->F + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->F + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R_Ext-4O-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-4O-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_4C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_N-4C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_4C-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-5R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-8C-R_Ext-8C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_N-8R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_Sp-5R!H#4C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C_Ext-4C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_4C-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C_Ext-4C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_5R!H->Cl + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_5CO->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_N-5CO->C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_5R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_Sp-7C=5R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_N-Sp-7C=5R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-7R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_Sp-6C=5R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_5R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_N-5R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_N-6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_4BrCClNO->Br + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-4N-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_4CClO->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_Sp-7O-4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_N-Sp-7O-4C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_7BrCClFINPSSi->S + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-7BrCClFINPSSi->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_4C-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_N-4C-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-5R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_N-4CCl->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_Ext-5C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-5C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_4C-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_N-4C-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_N-5CO->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_N-4CClO->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_4CClO->Cl + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_4C-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_N-6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_5ClNO->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_5ClN->N + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_N-5ClN->N + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_5R!H->O + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Ext-5C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Sp-5C=4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_N-Sp-5C=4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_5NS->N + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_N-5NS->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C_Ext-4O-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I_Ext-3C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-3C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-4N-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_Sp-7R!H#4C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_Sp-7R!H-4C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_N-Sp-7R!H-4C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_N-Sp-6R!H-4C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C_Ext-5R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-Sp-6R!H-4C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_Sp-6R!H-5R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_N-Sp-6R!H-5R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_5R!H->N + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_N-5R!H->N + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_Sp-5R!H=4C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_N-Sp-5R!H=4C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_N-1N-u0 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_7R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_1C-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_Sp-7O-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_Ext-8R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_N-7CCl->Cl + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_Ext-7C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C_Ext-7C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_7ClF->F + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_N-7ClF->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_Sp-9R!H=8R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_N-8R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_1C-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_8R!H->O + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-7C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_Sp-8C-7C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_N-Sp-8C-7C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_N-Sp-7C-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_Sp-7C-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_N-Sp-7C-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Sp-7C-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_N-Sp-7C-1C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_7BrClFINOPSSi->O + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_N-7BrClFINOPSSi->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_N-Sp-7BrClFINOPSSi-1C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-6R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_Sp-6R!H=1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_1C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_N-1C-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_Sp-6R!H-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_N-Sp-6R!H-1C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_N-6CO->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_Sp-6O-1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_1C-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_Ext-6C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C_Ext-6C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C_Ext-6C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_N-7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_N-7R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_6ClF->F + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_Ext-5R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_N-6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_N-6R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_Sp-7R!H=6R!H + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_N-Sp-7R!H=6R!H + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_1C-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_N-1C-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-5R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_5R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_5CFO->F + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_5CO->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_N-5CO->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_5R!H->O + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_4C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_Sp-7C=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_N-Sp-7C=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-Sp-10R!H=9C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_N-9R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing_N-Sp-10C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_Sp-10C=9C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_N-Sp-10C=9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_4C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_N-4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_N-4C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_N-4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_4C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_4C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-4C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_N-4C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_N-4C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_N-4C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Sp-10C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_N-Sp-10C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_Sp-10C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_N-Sp-10C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_Sp-10C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-10C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_Sp-10C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_N-Sp-10C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_Sp-10C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_N-Sp-10C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_Sp-10C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_N-Sp-10C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Sp-10C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_N-Sp-10C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Sp-7C#4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_N-4C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_4C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_Sp-7C=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_N-Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_4C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_N-4C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_4C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_N-4C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_8R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_N-8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_N-4C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_N-4C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_N-Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_N-Sp-7C=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_Sp-7C=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_8R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_N-8R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_8R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_N-8R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_8R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_N-8R!H-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_4C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_N-4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_N-8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Sp-7C=4C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_N-4C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_Sp-9C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_N-Sp-9C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-9C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-9C=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_8C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_1C-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_N-7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_7R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_N-7R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_Sp-7R!H=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_N-Sp-7R!H=4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_N-Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_N-Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Sp-10C-1C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_N-Sp-10C-1C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Sp-10C-1C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C-1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_N-Sp-7R!H=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_N-Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_N-Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_N-Sp-7R!H=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_Sp-11C=10R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_N-Sp-11C=10R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_Sp-11C=10R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_N-Sp-11C=10R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_N-Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_N-Sp-7R!H=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_N-Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_N-Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_Sp-7R!H=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_N-Sp-7R!H=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_Sp-7R!H=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_Sp-7R!H=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_N-Sp-7R!H=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_Sp-7R!H=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_N-Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_Sp-7R!H=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_N-Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Sp-7R!H=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_N-Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Sp-7R!H=4C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_N-Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_N-Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_N-Sp-7R!H=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_Sp-7R!H=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_N-Sp-7R!H=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_Sp-10C=9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_N-Sp-10C=9C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_Sp-10C=9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C=9C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_Sp-7R!H=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_N-Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_N-Sp-7R!H=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_Sp-7R!H=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_N-Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Sp-7R!H=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_N-Sp-7R!H=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_Sp-7R!H=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_N-Sp-7R!H=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_Sp-7R!H=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_N-Sp-7R!H=4C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Sp-7R!H=4C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_N-Sp-7R!H=4C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-10R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_4C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_N-4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-10R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-10R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_4C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_Sp-7R!H=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_N-Sp-7R!H=4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_Sp-7R!H#4C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_N-4C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_N-4C-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R_Ext-8R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-8R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_N-Sp-8R!H-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_Ext-9R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_Sp-11C=10C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_N-Sp-11C=10C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_N-11R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_N-10R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_N-10R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_Sp-11C=10R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_N-Sp-11C=10R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_N-11R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_Sp-11C=10R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_N-Sp-11C=10R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_N-11R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_Sp-10C#9C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_9C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_N-9C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_N-10R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_N-4C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_7CS->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_N-7CS->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-Sp-7CS=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-Sp-7C=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-Sp-7C=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_N-9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Sp-7C=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_N-Sp-7C=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_N-9R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_9R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_N-9R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_9R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_Sp-7C=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_N-Sp-7C=4C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_N-7CS->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Sp-11C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_8C-inRing + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_N-8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_N-11R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_Sp-11R!H=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_N-Sp-11R!H=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_8C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_Sp-11C=8C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_N-Sp-11C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_N-11R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_7CS->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_N-7CS->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_7CS->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_N-7CS->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_Sp-10C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_N-Sp-10C=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_Sp-10C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_N-Sp-10C=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_7CS->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_N-7CS->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_7CS->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_N-7CS->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_8C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Sp-11C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_N-Sp-11C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_N-11R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_Sp-10R!H=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_N-Sp-10R!H=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Sp-10R!H#8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_N-8C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_N-10R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_8C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_8C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_Sp-9C#8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_8C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_N-8C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_N-9R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_7CS->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_N-7CS->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_N-Sp-7CCSS=4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R_Ext-9R!H-R_Ext-9R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-7R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_N-Sp-7R!H-1C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_Ext-7CS-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_N-8R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C_Ext-8R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_7C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_Ext-8R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_7C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_Sp-9C=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_N-Sp-9C=7C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-Sp-7R!H-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_N-6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_N-9R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_N-9R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_N-Sp-10R!H=9R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_N-10R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-10R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-9R!H-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Sp-8BrCClFINOPSi-1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_N-Sp-8BrCClFINOPSi-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=8BrCClFINOPSi + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=8BrCClFINOPSi + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_Sp-10C=8BrCClFINOPSi + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_N-Sp-10C=8BrCClFINOPSi + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi_Ext-9R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_8BrCClFINOPSi-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-8BrCClFINOPSi-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_N-9R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_Sp-10C=9R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_N-Sp-10C=9R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_N-10R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_N-9R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_Ext-9R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_9R!H->S + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_N-9R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_9R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-9R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-9R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_N-8R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_N-8R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_N-8R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_8R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_N-8R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Int-12R!H-9R!H_Ext-12R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-9R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Sp-8R!H-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-Sp-8R!H-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H#8R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_8R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_N-8R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_N-9R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C_Ext-8C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_7C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_Sp-8C#7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-9R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Sp-7C-1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-Sp-7C-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Sp-9R!H#7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_7C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_N-7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Sp-7R!H-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_N-Sp-7R!H-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_Sp-9C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_N-Sp-9C=8R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-10R!H=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-10R!H=7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C#7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_N-7C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_7C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_Sp-9R!H=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_N-Sp-9R!H=7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_N-9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_N-9R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_Sp-9R!H=8C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_N-Sp-9R!H=8C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_8R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_N-8R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->S + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_7R!H-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_Sp-8C=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_N-Sp-8C=7R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_Ext-7R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_N-7R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-4C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_N-7R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Sp-6R!H#1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_9R!H->O + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C_Ext-7R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_N-9BrCClFINPSSi->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_Ext-7R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6CCl->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_Sp-8C=6CCl + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_N-Sp-8C=6CCl + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_N-6CCl->Cl + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_6C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_Sp-7C=6C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_N-Sp-7C=6C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_Ext-6C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_N-6CCl->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-8R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Sp-6CCl-1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-Sp-6CCl-1C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->N + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_Ext-3C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_7R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->Cl + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_7BrCF->Br + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_N-7BrCF->Br + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-6R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_7C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_N-9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_9R!H->C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-9R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C + L39: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C_Ext-8R!H-R + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C + L39: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C_Ext-8R!H-R + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-10R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_8R!H-inRing + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_N-8R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-8R!H-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_7C-inRing + L37: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing + L38: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing_Ext-8R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_N-8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_Sp-8C=7R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_N-Sp-8C=7R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Sp-8C#7R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_Sp-8R!H=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_N-Sp-8R!H=7R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_Sp-8C=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_7R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-7R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_Ext-6CO-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_N-6CO->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_1C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_Sp-8C=6R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C=6R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_Sp-8C=6R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_N-Sp-8C=6R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_Sp-8C=6R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_N-Sp-8C=6R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Sp-8C=6R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_N-Sp-8C=6R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_6R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-6R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_6R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_N-6R!H->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_Sp-7C#6R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_6R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_N-6R!H-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_6R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_Sp-8R!H=1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R_Ext-8R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_Ext-5C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_8R!H->Cl + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_N-7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-6CCl-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_6CCl->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_N-6CCl->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_N-6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_6R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_8R!H->O + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_7R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_6R!H->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_7BrCClFINPSSi->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_N-7BrCClFINPSSi->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_6R!H->O + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Ext-7R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_Sp-9R!H=8R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_N-Sp-9R!H=8R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_7ClO->O + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_N-7ClO->O + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_1C-inRing + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_N-7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_6CO->O + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_N-6CO->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_Sp-6O-1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_N-Sp-6O-1C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_6CCl->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_N-6CCl->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_N-Sp-6CCl-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_5NO->N + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_7R!H->Cl + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_7BrCFINOPSSi->Br + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_N-Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_6BrCClFINOPSi-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-6BrCClFINOPSi-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_N-9R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_6BrCClFINOPSi-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi_Ext-7R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_6BrCClFINOPSi-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_Sp-7C=6BrCClFINOPSi + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_N-Sp-7C=6BrCClFINOPSi + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-7R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-6R!H-1C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-6R!H-1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->O + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_Ext-6CClS-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_Sp-8C=7R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_9R!H->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_N-Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_9BrCClFINOPSi->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_N-9BrCClFINOPSi->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_6CClO->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_N-6CClO->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_6CClO->O + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_Sp-8C#6CCCClClCl + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_6CCl-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_N-6CCl-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_7R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_N-7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_N-7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_N-6CCl->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_Sp-7C-6C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_Sp-7C#6C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_6C-inRing + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_N-6C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S_Ext-6C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6CClO->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Sp-6R!H-1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_N-Sp-6R!H-1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_N-Sp-6R!H-1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_Sp-7C=6C + L36: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_N-Sp-7C=6C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-7C=6C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-7C=6C + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C + L35: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C_Ext-1C-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R + L34: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-6C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_N-8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-Sp-8R!H=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C_Ext-7R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_N-9R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_Ext-7R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_6C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_N-6C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_1C-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_Sp-8C=6C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_N-Sp-8C=6C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_6C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_Sp-8C=6C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_N-Sp-8C=6C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_N-8R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_N-6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-6C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_Sp-5R!H#1C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_Ext-5R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_5OS->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_Sp-7R!H=6R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_N-Sp-7R!H=6R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_N-6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_5OS->O + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_N-5OS->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_Sp-7C=6R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_N-7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_6R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_N-6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_8R!H->Cl + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_8BrCFINOPSSi->Br + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C_Ext-6R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_N-8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C_Ext-6R!H-R + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C_N-5C-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_5BrCClFO->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H_Ext-5C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_6R!H-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing_Ext-5C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_N-7R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-5C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_6R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_N-6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_N-5CClF->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_5R!H->Br + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_Sp-6R!H#5CCCClClClFFFOOOSSS + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_Sp-6C-5CClFOS + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_5CClFOS-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_N-5CClFOS-inRing + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_6ClS->S + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S_Ext-5CClFOS-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_5CClFOS->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_5ClS->S + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_N-5ClS->S + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Ext-1C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_N-Sp-5R!H-1C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N_Ext-4N-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_Ext-5C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-3C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R_Ext-4S-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_1C-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_Ext-5R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H=6R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_Sp-7C=6R!H + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_7R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_N-7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-1C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C_Ext-6R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_5C-inRing + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing + L33: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing_Ext-6R!H-R + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_N-8R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_5C-inRing + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C_Ext-6R!H-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C + L32: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C_Ext-6R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_Sp-6C#5R!H + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_5R!H-inRing + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_N-5R!H-inRing + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_N-6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_5R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R_Ext-7R!H-R_Ext-8R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-1O-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_5R!H-u0 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_N-5R!H-u0 + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_5R!H->N + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_9R!H-u0 + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_N-9R!H-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_8R!H-u0 + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_N-8R!H-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_Sp-7BrClFINOPSSi-6R!H + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_N-Sp-7BrClFINOPSSi-6R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R_Ext-1O-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R_Ext-1O-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_N-6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C_Ext-7R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_7R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H-u0 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_5R!H-u0 + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_N-5R!H-u0 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_Sp-8R!H-7R!H + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_N-Sp-8R!H-7R!H + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_6R!H->C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C_Ext-5C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-5C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-1O-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R_Ext-1O-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R_Ext-5C-R_Ext-5C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_6R!H->C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_N-6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_8R!H-u0 + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_N-8R!H-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_N-5BrClFINOPSSi->F + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_5BrClFINOPSSi->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_7R!H-u0 + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_N-7R!H-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0 + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_7R!H->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_N-7R!H->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_N-7R!H-u0 + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->N + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_6R!H-u0 + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_N-6R!H-u0 + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O_Ext-1O-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0 + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_6R!H->C + L29: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C + L30: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R + L31: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_N-6R!H-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_7R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R_Ext-7R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0 + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_5R!H->Br + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_N-5R!H->Br + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_N-5R!H-u0 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N_Ext-4N-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R_Ext-6R!H-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_N-5BrClFINOPSSi->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_Ext-4BrCClNS-R_Ext-4BrCClNS-R_Ext-4BrCClNS-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C_Ext-3C-R_Ext-3C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R_Ext-3C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_4C-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_5R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_Ext-5FO-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_5FO->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R_Ext-4C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1 + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1_Ext-4N-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_N-3C-u1 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R_Ext-3C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_4BrCl->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_N-4BrCl->Br + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_1BrCClHINOPSSi->I + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_3C-u1 + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_N-3C-u1 + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_3C-u1 + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_N-3C-u1 + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N_Ext-1N-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C_Ext-5C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_N-3C-u1 + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_1CHNO->N + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R_Ext-4BrCClFNS-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_1CHNO->N + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C=5C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C=5C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_N-6R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_N-5R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_1CHNO->N + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_4NS->N + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_5R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_N-5R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_6R!H->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_N-6R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-1CHNO-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_1CHNO->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_N-1CHNO->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C_Ext-1CHNO-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing_Ext-1CHNO-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-1CHNO-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-1CHNO-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_5R!H->O + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_N-5R!H->O + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_5R!H->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Cl + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_7BrF->Br + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_N-7BrF->Br + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_N-6R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R_Ext-5C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_4BrCNO->N + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-3C-u1 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C_Ext-5R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_N-7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_Ext-4BrCO-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_1CHNO-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_N-1CHNO-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_4BrCO-inRing + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_N-4BrCO-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_7R!H->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_N-7R!H->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_4BrCO->O + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-4BrCO->O + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_4BrCO->O + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C_Ext-5R!H-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C_Ext-5R!H-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_Ext-4C-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-4C-R + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-1CHNO-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_N-3C-u1 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C_Ext-4C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_Ext-4BrFNOS-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_4BrFNOS->N + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_N-4BrFNOS->N + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_1CO->C + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_N-1CO->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C_Ext-4N-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C_Ext-4N-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_4CFO->F + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_5R!H->S + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_5BrCClFINOPSi->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F_Ext-4CO-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_5CCl->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_N-5CCl->C + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_5BrCClFINOPSi->O + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_5CClFN->F + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO_Ext-5CClN-R + L26: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_5CClN->C + L27: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_5ClN->N + L28: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_N-5ClN->N + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_4CO->C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_N-4CO->C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1 + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C + L25: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R + L24: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_N-Sp-5R!H-4C + L22: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C + L23: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C_Ext-4O-R + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_N-3C-u1 + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_N-4BrCFNOS-u0 + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-4R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0 + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_4R!H->N + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_N-4R!H->N + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_N-4R!H-u0 + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1 + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0 + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_1CHNO->O + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_1CHN->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_1HN->N + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_N-1HN->N + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0 + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_1CHNO->N + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_N-1CHNO->N + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_N-3C-u1 + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0 + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0_Ext-3C-R_Ext-5R!H-R_Ext-5R!H-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_N-4R!H-u0 + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0 + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-4R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-3C-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-3C-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-7R!H-6R!H + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_1CH->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H_Ext-5R!H-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_N-Sp-5R!H-4R!H + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_5R!H-u1 + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1 + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_1CH->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_N-1CH->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C_Ext-1C-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C_Ext-1C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_Ext-1C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_Sp-10R!H=8R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_N-Sp-10R!H=8R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_N-Sp-9CCl-1C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C_Ext-8R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-12R!H-R_Ext-8R!H-R + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-8R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_N-1C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_10R!H-u1 + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1 + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0 + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_1C-inRing + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing_Ext-1C-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_N-11R!H-u0 + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H_Ext-9CCl-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H + L21: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H_Ext-9CCl-R + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_Sp-10R!H=8R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_N-Sp-10R!H=8R!H + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_Sp-9CCl-1C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_N-Sp-9CCl-1C + L19: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_Sp-9CCl-1C + L20: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_N-Sp-9CCl-1C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_N-6R!H-u0 + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_Ext-1C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_9R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_N-9R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_8CS->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_N-8CS->S + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_9R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_N-9R!H->C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_9R!H->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_N-9R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_8CS->S + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_N-8CS->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl_Ext-8R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_8R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_9BrCFINOPSSi->C + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_N-9BrCFINOPSSi->C + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_N-Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_8R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_8ClS->S + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_N-8ClS->S + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H-8R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H-8R!H + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-5R!H-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_Sp-8R!H-7R!H + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_Sp-4R!H-=3C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_N-Sp-4R!H-=3C + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_4R!H->O + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-4R!H->O + L6: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing + L18: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing_Ext-11R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-1C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_Ext-8R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_7R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-7R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_7R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_Sp-8R!H=7R!H + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-Sp-8R!H=7R!H + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_N-1BrCHINOPSSi->C + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H_Ext-11R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_Ext-11R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_10R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_N-10R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_Sp-12R!H=11R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_N-Sp-12R!H=11R!H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_1C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_N-1C-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H_Ext-11R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H_Ext-11R!H-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_10R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-11R!H=10R!H + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-10R!H-1C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-1BrCHINOPSSi->C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-11R!H-R + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing + L17: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing + L16: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H_Ext-8R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_Ext-8R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_7R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-7R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H_Ext-8R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_Ext-8R!H-R + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_7R!H-inRing + L15: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-7R!H-inRing + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_7R!H-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-7R!H-inRing + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_N-1BrCHINOPSSi->C + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C + L8: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-6R!H-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_4R!H-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_N-4R!H-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_1C-inRing + L13: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_Ext-6R!H-R + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_4R!H-inRing + L14: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_N-4R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R + L11: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R_Ext-1C-R + L7: Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_N-1BrCHINOPSSi->C + L3: Root_N-3R->F_N-3BrCClHINOS->C + L4: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R + L5: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R + L6: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_6R!H->Cl + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_N-6R!H->Cl + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R_Ext-5C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_N-7R!H->Cl + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C_Ext-1R-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_1R->C + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_N-1R->C + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_1C-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_N-1C-inRing + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-4O-R + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_4O-u0 + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_N-4O-u0 + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_4BrCF->Br + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_5R!H->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_N-5R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing_Ext-1C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-1C-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_4C-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O_Ext-4C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R_Ext-4C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R_Ext-4C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-Sp-5BrCClFINPSSi-4C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_N-4CF->C + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_N-1R->C + L6: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1 + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_5R!H-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_5R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_N-5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_N-5R!H-u0 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_N-3S-u1 + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_3S-u1 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_N-3S-u1 + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_6C-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_Sp-7R!H=6C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-Sp-7R!H=6C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_N-6R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_N-6R!H->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_6R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_N-6R!H->C + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_5R!H-inRing + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_Sp-6R!H=5C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_N-5R!H->C + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_Sp-5R!H#4C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_4C-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_5R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_N-5R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R_Ext-5R!H-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_N-3BrHINO->O + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_N-4R!H->C + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_3BrHINOS->Br + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0 + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_N-7R!H-u0 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_6R!H->Cl + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_N-6R!H->Cl + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0 + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_6R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_N-6R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_7R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R_Ext-8R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_N-7R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_6R!H->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_N-6R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_6R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_N-6R!H-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R_Ext-6R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_5CCl->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5CCl->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_N-5R!H-u0 + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_5R!H-u0 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_N-5R!H-u0 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-1CNO-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-5C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_6R!H->Cl + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_N-6R!H->Cl + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_5ClO->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-5ClO->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_1CNO->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_N-1CNO->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_5R!H->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_6R!H->Cl + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_N-6R!H->Cl + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_6R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_N-6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl_Ext-5C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_N-1CNO->C + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_N-8R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_N-7R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_7R!H-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_N-7R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_N-9R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_7R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_N-7R!H-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_N-8R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1CNO-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_N-7R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_N-7R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Ext-1CNO-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C_Ext-1CNO-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-1CNO-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_5R!H->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_N-5R!H->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_6R!H-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_6R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_N-6R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_N-7R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_N-6R!H->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_5R!H-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_5R!H->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_N-5R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_N-Sp-7R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_10R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_N-10R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_9C-inRing + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_N-9C-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_N-9R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_8R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_N-8R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_8R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_N-8R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_N-7R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_N-7R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_6R!H-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_N-6R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R_Ext-1C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Ext-1C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Ext-1C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R_Ext-1C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Sp-7R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Sp-7R!H-1C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_N-Sp-7R!H-1C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_Sp-7C-1C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_N-7R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Sp-6R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-Sp-6R!H-1C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Ext-1C-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Sp-5C-1C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_N-Sp-5C-1C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_N-3S-u1 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R_Ext-3S-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-3S-R + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O_Ext-4S-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O_Ext-4S-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-5O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_N-4BrCFNO->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-4BrCFNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_7R!H->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_7BrCClFINPSSi->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_5BrCF->Br + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R + L24: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R_Ext-4BrCFNO-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-4BrCFNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_5BrCF->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-5BrCF->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_4BrCFNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_N-4BrCFNO->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_Ext-1CNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O_Ext-4BrCFNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_N-7R!H->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_5BrClFO->Br + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_5ClFO->Cl + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R + L24: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_5FO->O + L24: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_N-5FO->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-4BrCFNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F_Ext-4BrCFNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R_Ext-8R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Ext-1CNO-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Sp-7O-1CNO + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_N-Sp-7O-1CNO + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_Sp-8R!H-5C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_N-Sp-8R!H-5C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C_Ext-5C-R_Ext-5C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_N-1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_N-4BrCFNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R_Ext-7R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R_Ext-1CNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_5ClF->F + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_N-5ClF->F + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_Ext-6O-R_Ext-7R!H-R_Ext-6O-R_Ext-8R!H-R_Ext-6O-R_Ext-7R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_5BrF->Br + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5BrF->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Sp-7R!H-6R!H + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_N-Sp-7R!H-6R!H + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_7R!H->Br + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_7CClFINOPSSi->Cl + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_Sp-9C-1CNO + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_N-Sp-9C-1CNO + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C_Ext-1CNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C_Ext-4BrCFNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C_Ext-5BrCClO-R_Ext-5BrCClO-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-6O-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_8R!H->Cl + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_8BrFO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_8BrF->Br + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_N-8BrF->Br + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_1CNO-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_N-1CNO-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_5R!H->F + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_1CNO-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_N-1CNO-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_N-1CNO-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Int-8R!H-6CF_Ext-8R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Ext-7R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_1CNO-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_N-1CNO-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_N-7R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO_Ext-6C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_4BrCFNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_N-4BrCFNO->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_Ext-4BrCFNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_N-6R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_N-6R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_N-6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_5FNO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_5FN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_Ext-4C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_6R!H->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_N-6R!H->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_N-4BrCFNO->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_4BrCFNO->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_1NO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_N-1NO->N + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_1CNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_N-1CNO->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-4BrCFNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-4BrCFNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_5BrCClFN->Cl + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_5BrF->Br + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R_Ext-4BrCFNO-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-4BrCFNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing_Ext-6BrCClFINPSSi-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-1CNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-8R!H-R_Ext-4BrCFNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R_Int-7R!H-6BrCClFINPSSi + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-5BrCClFN-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_4BrCFNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_N-4BrCFNO->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_5BrCClFN->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_Ext-4BrCFNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_5ClFN->F + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_N-5ClFN->F + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_5BrCClFN->Cl + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_5CFN->F + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_1CN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_N-1CN->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_6R!H->Cl + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_6BrCFINOPSSi->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_N-6BrCFINOPSSi->Br + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO_Ext-5BrCClINOPSSi-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_Sp-6R!H-5BrCClINOPSSi + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_N-Sp-6R!H-5BrCClINOPSSi + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_1CNO->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_5BrCClINOPSSi->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_N-3BrHIN->N + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_3BrHINO->I + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_3HIN->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_N-3HIN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N_Ext-1CNO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C_Ext-7R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_Sp-5C=4BrCFNO + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_N-Sp-5C=4BrCFNO + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_N-5R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_Sp-5R!H=4BrCFNO + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_N-Sp-5R!H=4BrCFNO + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_1CNO->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N_Ext-3O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-1NO->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_6R!H->O + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_Sp-5C=4C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_N-Sp-5C=4C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_N-Sp-7R!H-6BrCClFINPSSi + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R_Ext-7R!H-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_3HIN->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_N-3HIN->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_1NO->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_N-1NO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_1NO->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_5R!H->O + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_N-5R!H->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_5R!H->S + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_5CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C_Ext-5CO-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_N-Sp-5CO=4C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_N-1CNO->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_5CO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C_Ext-5C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_N-Sp-5C=4C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_N-1CNO->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_4BrCFNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_N-4BrCFNO->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_1CN->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_N-1CN->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_N-1CNO-u0 + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-3BrHINO-u1 + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_1CNO-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R_Ext-1CNO-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_6R!H->S + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_N-6R!H->S + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_6R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_N-6R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_1CNO->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_N-1CNO->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_Ext-1CNO-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_1CNO->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_N-1CNO->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_1CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R_Ext-1C-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N_Ext-3O-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_5R!H-u0 + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_N-5R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_Sp-6R!H-5BrCClN + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R_Ext-7R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_5BrCClN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_5BrCCl->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_5BrCl->Br + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_N-5BrCl->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_1CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_N-1CNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_1CNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_N-1CNO->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_Ext-1CNO-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_1CNO->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_Ext-5R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_5R!H->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_N-5R!H->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N_Ext-1N-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R_Ext-1C-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_5R!H->Cl + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_5BrCFINOPSSi->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R_Ext-6R!H-R_Ext-6R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CO->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CO->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_3BrHN->Br + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_N-3BrHN->Br + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_5R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_N-5R!H->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_5R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_N-5R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_7R!H-u0 + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_N-7R!H-u0 + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_5FNOS->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_6R!H-u0 + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_N-6R!H-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S_Ext-1C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_3HN->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_5FN->N + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C_Ext-1C-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-1C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_3HO->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_N-3HO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_3HO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_N-3HO->O + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_Ext-1C-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1_Ext-1C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1 + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R_Ext-5C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_N-3O-u1 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_N-3HNO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0 + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R + L24: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_N-6R!H-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_3N-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_N-3N-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C_Ext-5C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_N-3O-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_N-3HO->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_3BrHNO->Br + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_3O-u1 + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_N-3O-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_3HN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_N-3HN->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_N-3O-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_N-3HNO->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_5R!H->Br + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br_Ext-1CNO-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_1CNO->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_N-1CNO->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0 + L24: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C + L25: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R + L26: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R + L24: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_N-7R!H->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_N-7R!H-u0 + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_N-6R!H->F + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0 + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_6R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_N-6R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_N-6R!H-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_6R!H->O + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_Ext-5C-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C + L24: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C_Ext-3O-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_N-6BrCClFINPSSi->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_N-5R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_N-5R!H-u0 + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N_Ext-3O-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_4BrNS->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_5R!H->Br + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_N-5R!H->Br + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N_Ext-3O-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_Ext-5R!H-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_6R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_6FO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_N-6FO->O + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_4BrFNS->Br + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_Ext-1CNO-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_5R!H->O + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_5CFS->F + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_5CS->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_N-5CS->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_N-4FS->S + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_4BrFNS->F + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0 + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_1CNO->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N_Ext-3N-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_N-1NO->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_N-1CNO-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_1CNO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_1CN->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_N-1CN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_4BrS->Br + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_N-4BrS->Br + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_N-1CNO->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_4BrFNS->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_N-4BrFNS->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_3HNO->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_1CN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_N-1CN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_4BrF->Br + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_5R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_5BrClFINOPSSi->O + L22: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O + L23: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O_Ext-1CN-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_N-4BrCFNS-u0 + L5: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R + L6: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1 + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_3BrClHINOS->N + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_3HO->O + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_N-3HO->O + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_N-3BrClHINOS-u1 + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_5R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_N-5R!H->C + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_3ClHN->Cl + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl_Ext-4COS-R + L6: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_1R->C + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_N-1R->C + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_1R->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C_Ext-3N-R + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_3BrClO->Cl + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_3BrO->Br + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_5R!H->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_5BrCClO->Br + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_5CClO->Cl + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_5CO->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_N-5CO->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_N-5R!H-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_N-3O-u1 + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1_Ext-3BrO-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_N-3BrO-u1 + L7: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_1R->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_N-1R->C + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_6R!H->F + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_N-6R!H->F + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C_Ext-5C-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_N-1R->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-4CS-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_1R->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-1R->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_4CS->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_N-4CS->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_N-1R->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_Sp-6R!H-5R!H + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_N-Sp-6R!H-5R!H + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_Sp-6R!H-5R!H + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-8R!H-7R!H + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R_Ext-5R!H-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-4CS-R + L8: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1 + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_1R->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_N-1R->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_1R->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_N-1R->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_1R->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_N-1R->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1 + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_4CNS->N + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_N-4CNS->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_3BrIOS-u1 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_N-3BrIOS-u1 + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_5BrCClFINPSSi->Br + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C_Ext-3O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_N-5CClFN->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_5CClFN->F + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F_Ext-3O-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C_Ext-3O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C_Ext-3O-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_5BrCClFINPSSi->F + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C_Ext-4CNS-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_N-1R->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_3IS->S + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_N-3IS->S + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-4CNS-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-5BrCClFINPSSi-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-7R!H-R + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-4CNS-R + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_6R!H-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_N-6R!H-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_6R!H->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_N-6R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_N-6R!H-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-4CNS-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_3BrIOS->S + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS->S + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_5C-inRing + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_6R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_N-6R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_N-5R!H->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_3BrIOS-u1 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_N-3BrIOS-u1 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0 + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_N-5R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_N-3O-u1 + L14: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_3BrS->Br + L15: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br + L16: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C + L19: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_5R!H-inRing + L18: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_5R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_N-5R!H->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_4CNS->N + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_N-4CNS->N + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1 + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_4CNS->N + L13: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_N-4CNS->N + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-4CNS-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + L9: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing + L10: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_5R!H->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C_Ext-4CNS-R + L4: Root_N-3R->F_N-3BrCClHINOS->C_1R->O + L5: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O + L6: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0 + L7: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1 + L8: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0 + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_4BrCClO->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_N-4BrCClO->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->Cl + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_4BrCO->Br + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_N-4BrCO->Br + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_N-4R!H-u0 + L7: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_N-3O-u1 + L6: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0 + L7: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R + L8: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N_Ext-4N-R + L8: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_4BrCClFIOPSSi->C + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_N-4BrCClFIOPSSi->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_N-Sp-5R!H-4BrCClFIOPSSi + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_4BrCClFIOPSSi->Br + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_4CClO->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_N-4CClO->C + L5: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O + L6: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl + L7: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_1O-u0 + L7: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_N-1O-u0 + L6: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl + L7: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0 + L8: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1 + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_3BrHINS->I + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_Sp-5R!H-4R!H + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_4R!H->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_N-4R!H->N + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_3BrHS->H + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_3BrS->Br + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br_Ext-3S-R + L8: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_N-3BrHINS-u1 + L7: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0 + L8: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1 + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_3BrHINS->Br + L9: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_5R!H->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_4R!H->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_N-4R!H->N + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->N + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_Ext-3N-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_4CO->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_N-4CO->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_3HI->I + L11: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_N-3HI->I + L8: Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_N-3BrHINS-u1 + L4: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O + L5: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I + L6: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1 + L7: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O + L8: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R + L7: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_N-3BrClHINOS->O + L6: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_N-3BrClHINOS-u1 + L5: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I + L6: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F + L7: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_3BrClHINOS->Br + L7: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br + L8: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1 + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0 + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C_Ext-4C-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_4FO->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_N-4FO->O + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_N-4R!H-u0 + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_3ClH->Cl + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_N-3ClH->Cl + L8: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_N-3ClHINOS-u1 + L6: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F + L7: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S + L8: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1 + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_Sp-5R!H#4R!H + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_4R!H->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_N-4R!H->C + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_N-3S-u1 + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_4R!H-u0 + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_N-4R!H-u0 + L8: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R_Ext-4R!H-R + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_N-3BrClHINO->O + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_N-1S-u0 + L7: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S + L8: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4BrC->Br + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4BrC->Br + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_N-3BrClHINOS->O + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_N-3BrClHINOS-u1 + L8: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_3BrClHINOS->N + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1 + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_3BrClHIOS->O + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_N-3BrClHIOS->O + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_N-3BrClHIOS-u1 + L9: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1 + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4CCl->C + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4CCl->C + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_N-3BrClHINOS->O + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_N-3BrClHINOS-u1 + L10: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0 + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_1CHN->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_N-1CHN->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_N-1CHN-u0 + L11: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_1CHN->C + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_N-1CHN->C + L12: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0 + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0 + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_N-Sp-5R!H-4C + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_N-1C-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_N-4R!H-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_N-3O-u1 + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_4R!H->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_N-4R!H->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0 + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_5R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_N-5R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R_Ext-5R!H-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_Sp-5R!H-4C + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-4C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_N-4R!H-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_1HN->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_N-1HN->N + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0 + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_3O-u1 + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_N-3O-u1 + L13: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_3BrHNS->H + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_5OS->O + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_N-5OS->O + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_4C-inRing + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-4C-inRing + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_4R!H->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_N-4R!H->N + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_N-Sp-4R!H-3N + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_N-3BrN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_3BrN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_N-3BrN->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1 + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_3BrNS->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_N-3BrNS->N + L14: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0 + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_1HN->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_N-1HN->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_N-1HN-u0 + L15: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0 + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1 + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H#4C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_4C-inRing + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_N-4C-inRing + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-5R!H->C + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N + L25: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_1HN->N + L25: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_N-1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_N-Sp-4C-3N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_N-1HN->N + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_1HN->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_N-1HN->N + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_1HN->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_N-1HN->N + L21: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_N-1HN->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_4BrClFINOPSSi->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_N-4BrClFINOPSSi->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_4BrClFINOPSSi->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_N-4BrClFINOPSSi->N + L22: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_N-1HN->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_N-1HN->N + L23: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_1HN->N + L24: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_N-1HN->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_N-3BrN->N + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1 + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N + L20: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N_Ext-3N-R + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_N-1HN->N + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_N-3BrNS->N + L16: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0 + L17: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_4R!H-u0 + L19: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_N-4R!H-u0 + L18: Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_N-Sp-4R!H-3BrNS +""" +) + +forbidden( + label = "disprop1_OS_rad", + group = +""" +1 *1 [C,N] u0 {2,S} {3,S} +2 [O,S] u1 {1,S} +3 *2 H u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +This group forbids `H[C,N][O,S].`, where the radical site is O or S, but the non-rad site isn't O or S. +""", +) + +forbidden( + label = "disprop1_base_case", + group = +""" +1 *1 R u0 {2,S} {3,S} +2 [C,N] u1 {1,S} +3 *2 H u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +Generally, we'd like to forbid `HR[R.]` from reacting here (`.` marks a radical), since this is a disprop reaction. +However, the following specific cases must not be forbidden here: `HO2`, `HSS`, `HOS`, `HSO` +(since they form the ground state triplets O2, S2, and SO). +This group forbids `HR[C,N].`, where the radical site isn't O or S +""", +) + +forbidden( + label = "disprop1_hyperS_H", + group = +""" +1 *1 S u0 p[0,1] {2,S} {3,S} +2 [O,S] u1 {1,S} +3 *2 H u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +This group forbids `H[S p0,1][O,S].`, where hypervalance S is allowed at the H site +""", +) + +forbidden( + label = "disprop1_hyperS_rad", + group = +""" +1 *1 [O,S] u0 {2,S} {3,S} +2 S u1 p[0,1] {1,S} +3 *2 H u0 {1,S} +""", + shortDesc = """""", + longDesc = +""" +This group forbids `H[O,S][S p0,1].`, where hypervalance S is allowed at the rad site +""", +) + +forbidden( label = "disprop2", group = """ @@ -7795,9 +135298,9 @@ 4 *2 H u0 {2,S} 5 R u1 {3,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -7812,9 +135315,9 @@ 4 *2 H u0 {2,S} 5 R u1 {3,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -7831,9 +135334,9 @@ 6 *2 H u0 {4,S} 7 R u1 {5,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) @@ -7850,24 +135353,24 @@ 6 *2 H u0 {4,S} 7 R u1 {5,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) forbidden( label = "disprop6_mul_bonds", - group = + group = """ 1 *1 R u0 {2,[D,T]} {3,S} 2 R u1 {1,[D,T]} 3 *2 H u0 {1,S} """, - shortDesc = u"""""", - longDesc = -u""" + shortDesc = """""", + longDesc = +""" Forbidding cases such as: R + [HC]=CH2 <=> RH + [CH]=[CH] R + [C]#CH <=> RH + [C]#[C] @@ -7877,16 +135380,17 @@ forbidden( label = "disprop7_birad", - group = + group = """ 1 *1 R u1 {2,S} {3,S} 2 [C,N] u1 {1,S} 3 *2 H u0 {1,S} """, - shortDesc = u"""""", - longDesc = -u""" + shortDesc = """""", + longDesc = +""" Forbidding cases such as: R + [NH][NH] <=> RH + [N][NH] """, ) + diff --git a/input/kinetics/families/H_Abstraction/rules.py b/input/kinetics/families/H_Abstraction/rules.py index 8d5980af0d..84ffdc1a3c 100644 --- a/input/kinetics/families/H_Abstraction/rules.py +++ b/input/kinetics/families/H_Abstraction/rules.py @@ -2,8 +2,8 @@ # encoding: utf-8 name = "H_Abstraction/rules" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ General comments go at the top of the file, or in a section(s) titled 'General' @@ -22,43 +22,117797 @@ .. [Tsang1991] W. Tsang; "Chemical kinetic database for combustion chemistry. Part V. Propene" J. Phys. Chem. Ref. Data 20 (1991) 221-273 """ entry( - index = 0, - label = "X_H_or_Xrad_H_Xbirad_H_Xtrirad_H;Y_rad_birad_trirad_quadrad", - kinetics = ArrheniusEP( - A = (100000, 'cm^3/(mol*s)'), - n = 0, - alpha = 0, - E0 = (10, 'kcal/mol'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), - rank = 0, - shortDesc = u"""Default""", + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(6.48372,'m^3/(mol*s)'), n=1.67053, w0=(413.629,'kJ/mol'), E0=(23.666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1083500672372459, var=15.382820207466606, Tref=1000.0, N=7561, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 7561 training reactions at node Root + Total Standard Deviation in ln(k): 8.13499547780248"""), + rank = 11, + shortDesc = """BM rule fitted to 7561 training reactions at node Root +Total Standard Deviation in ln(k): 8.13499547780248""", + longDesc = +""" +BM rule fitted to 7561 training reactions at node Root +Total Standard Deviation in ln(k): 8.13499547780248 +""", +) + +entry( + index = 2, + label = "Root_3R-u3", + kinetics = ArrheniusBM(A=(1.96122e+10,'m^3/(mol*s)'), n=-0.668826, w0=(410,'kJ/mol'), E0=(108.759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.185227861189223, var=243.75805474465972, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R-u3',), comment="""BM rule fitted to 7 training reactions at node Root_3R-u3 + Total Standard Deviation in ln(k): 39.3025185762154"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R-u3 +Total Standard Deviation in ln(k): 39.3025185762154""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R-u3 +Total Standard Deviation in ln(k): 39.3025185762154 +""", +) + +entry( + index = 3, + label = "Root_3R-u3_1R->C", + kinetics = ArrheniusBM(A=(15.1549,'m^3/(mol*s)'), n=2.14761, w0=(398.5,'kJ/mol'), E0=(239.527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-u3_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R-u3_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-u3_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-u3_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4, + label = "Root_3R-u3_N-1R->C", + kinetics = ArrheniusBM(A=(1.00256e+11,'m^3/(mol*s)'), n=-0.890132, w0=(411.917,'kJ/mol'), E0=(96.3363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.2288514356486977, var=217.93106487524224, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-u3_N-1R->C',), comment="""BM rule fitted to 6 training reactions at node Root_3R-u3_N-1R->C + Total Standard Deviation in ln(k): 37.707570450187994"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-u3_N-1R->C +Total Standard Deviation in ln(k): 37.707570450187994""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-u3_N-1R->C +Total Standard Deviation in ln(k): 37.707570450187994 +""", +) + +entry( + index = 5, + label = "Root_3R-u3_N-1R->C_1BrClFHINOS->N", + kinetics = ArrheniusBM(A=(53.1314,'m^3/(mol*s)'), n=1.91658, w0=(386,'kJ/mol'), E0=(154.422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-u3_N-1R->C_1BrClFHINOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_3R-u3_N-1R->C_1BrClFHINOS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-u3_N-1R->C_1BrClFHINOS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-u3_N-1R->C_1BrClFHINOS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6, + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N", + kinetics = ArrheniusBM(A=(9.79947e+13,'m^3/(mol*s)'), n=-1.76138, w0=(417.1,'kJ/mol'), E0=(96.1696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.7370669475490286, var=244.33272901550444, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-u3_N-1R->C_N-1BrClFHINOS->N',), comment="""BM rule fitted to 5 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N + Total Standard Deviation in ln(k): 40.725922372144794"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N +Total Standard Deviation in ln(k): 40.725922372144794""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N +Total Standard Deviation in ln(k): 40.725922372144794 +""", +) + +entry( + index = 7, + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0", + kinetics = ArrheniusBM(A=(7.53187e+06,'m^3/(mol*s)'), n=0.312262, w0=(413.5,'kJ/mol'), E0=(55.0892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.703666863302792, var=147.888086867202, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0',), comment="""BM rule fitted to 3 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0 + Total Standard Deviation in ln(k): 36.197690548270295"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0 +Total Standard Deviation in ln(k): 36.197690548270295""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0 +Total Standard Deviation in ln(k): 36.197690548270295 +""", +) + +entry( + index = 8, + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_1HO->O", + kinetics = ArrheniusBM(A=(67.9419,'m^3/(mol*s)'), n=1.87567, w0=(422.5,'kJ/mol'), E0=(27.694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_1HO->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_1HO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_1HO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_1HO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 9, + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_N-1HO->O", + kinetics = ArrheniusBM(A=(1.70462e+08,'m^3/(mol*s)'), n=-0.0921631, w0=(409,'kJ/mol'), E0=(58.0137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-10.574929596247628, var=425.5525573667058, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_N-1HO->O',), comment="""BM rule fitted to 2 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_N-1HO->O + Total Standard Deviation in ln(k): 67.92570494183218"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_N-1HO->O +Total Standard Deviation in ln(k): 67.92570494183218""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_1HO-u0_N-1HO->O +Total Standard Deviation in ln(k): 67.92570494183218 +""", +) + +entry( + index = 10, + label = "Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_N-1HO-u0", + kinetics = ArrheniusBM(A=(502002,'m^3/(mol*s)'), n=0.46837, w0=(422.5,'kJ/mol'), E0=(150.099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.036689376495486, var=1537.1803040475302, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_N-1HO-u0',), comment="""BM rule fitted to 2 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_N-1HO-u0 + Total Standard Deviation in ln(k): 78.6916140815873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_N-1HO-u0 +Total Standard Deviation in ln(k): 78.6916140815873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-u3_N-1R->C_N-1BrClFHINOS->N_N-1HO-u0 +Total Standard Deviation in ln(k): 78.6916140815873 +""", +) + +entry( + index = 11, + label = "Root_3R->F", + kinetics = ArrheniusBM(A=(125.905,'m^3/(mol*s)'), n=1.64807, w0=(490.869,'kJ/mol'), E0=(23.148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07440602703163678, var=4.126181169076292, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_3R->F',), comment="""BM rule fitted to 65 training reactions at node Root_3R->F + Total Standard Deviation in ln(k): 4.259168909239662"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_3R->F +Total Standard Deviation in ln(k): 4.259168909239662""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_3R->F +Total Standard Deviation in ln(k): 4.259168909239662 +""", +) + +entry( + index = 12, + label = "Root_3R->F_Ext-1R-R", + kinetics = ArrheniusBM(A=(31.1047,'m^3/(mol*s)'), n=1.78919, w0=(490.441,'kJ/mol'), E0=(21.4993,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12272275174156784, var=4.209262195039103, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R',), comment="""BM rule fitted to 59 training reactions at node Root_3R->F_Ext-1R-R + Total Standard Deviation in ln(k): 4.421360643468602"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_3R->F_Ext-1R-R +Total Standard Deviation in ln(k): 4.421360643468602""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_3R->F_Ext-1R-R +Total Standard Deviation in ln(k): 4.421360643468602 +""", +) + +entry( + index = 13, + label = "Root_3R->F_Ext-1R-R_4R!H->O", + kinetics = ArrheniusBM(A=(6847.4,'m^3/(mol*s)'), n=1.34956, w0=(494.857,'kJ/mol'), E0=(17.8746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2965822468416435, var=5.61850140764294, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O',), comment="""BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O + Total Standard Deviation in ln(k): 8.009643723125633"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O +Total Standard Deviation in ln(k): 8.009643723125633""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O +Total Standard Deviation in ln(k): 8.009643723125633 +""", +) + +entry( + index = 14, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0", + kinetics = ArrheniusBM(A=(4823.15,'m^3/(mol*s)'), n=1.39881, w0=(492,'kJ/mol'), E0=(16.9604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9929016777325165, var=4.835118946408249, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0',), comment="""BM rule fitted to 6 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0 + Total Standard Deviation in ln(k): 6.902920529300072"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0 +Total Standard Deviation in ln(k): 6.902920529300072""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0 +Total Standard Deviation in ln(k): 6.902920529300072 +""", +) + +entry( + index = 15, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R", + kinetics = ArrheniusBM(A=(3159.58,'m^3/(mol*s)'), n=1.48554, w0=(488,'kJ/mol'), E0=(-0.203188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.1706725944641674, var=11.956400622878359, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R + Total Standard Deviation in ln(k): 12.385929927761264"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R +Total Standard Deviation in ln(k): 12.385929927761264""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R +Total Standard Deviation in ln(k): 12.385929927761264 +""", +) + +entry( + index = 16, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.65311e+11,'m^3/(mol*s)'), n=-1.14025, w0=(488,'kJ/mol'), E0=(71.0854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14269127595435696, var=2.1138401919654792, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C + Total Standard Deviation in ln(k): 3.2732154519308785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C +Total Standard Deviation in ln(k): 3.2732154519308785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C +Total Standard Deviation in ln(k): 3.2732154519308785 +""", +) + +entry( + index = 17, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_Sp-4O-1R", + kinetics = ArrheniusBM(A=(7.5e+06,'m^3/(mol*s)'), n=2.57455e-09, w0=(488,'kJ/mol'), E0=(40.7361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_Sp-4O-1R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_Sp-4O-1R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_Sp-4O-1R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_Sp-4O-1R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 18, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_N-Sp-4O-1R", + kinetics = ArrheniusBM(A=(4e+07,'m^3/(mol*s)'), n=1.81559e-08, w0=(488,'kJ/mol'), E0=(59.5227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_N-Sp-4O-1R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_N-Sp-4O-1R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_N-Sp-4O-1R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_5R!H->C_N-Sp-4O-1R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 19, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1329.84,'m^3/(mol*s)'), n=1.66086, w0=(488,'kJ/mol'), E0=(36.3204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Ext-1R-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 20, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R", + kinetics = ArrheniusBM(A=(11366,'m^3/(mol*s)'), n=1.162, w0=(500,'kJ/mol'), E0=(26.3725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1443324032840829, var=0.7838203963171466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R + Total Standard Deviation in ln(k): 2.137509001735825"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R +Total Standard Deviation in ln(k): 2.137509001735825""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R +Total Standard Deviation in ln(k): 2.137509001735825 +""", +) + +entry( + index = 21, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_1R->C", + kinetics = ArrheniusBM(A=(149.348,'m^3/(mol*s)'), n=1.824, w0=(488,'kJ/mol'), E0=(39.9141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 22, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_N-1R->C", + kinetics = ArrheniusBM(A=(865000,'m^3/(mol*s)'), n=0.5, w0=(512,'kJ/mol'), E0=(48.9912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_Sp-4O-1R_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 23, + label = "Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_N-Sp-4O-1R", + kinetics = ArrheniusBM(A=(5.99999e+07,'m^3/(mol*s)'), n=1.07992e-07, w0=(488,'kJ/mol'), E0=(70.6241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_N-Sp-4O-1R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_N-Sp-4O-1R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_N-Sp-4O-1R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_4O-u0_N-Sp-4O-1R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 24, + label = "Root_3R->F_Ext-1R-R_4R!H->O_N-4O-u0", + kinetics = ArrheniusBM(A=(2.89e+06,'m^3/(mol*s)'), n=0.5, w0=(512,'kJ/mol'), E0=(83.4388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_4R!H->O_N-4O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_N-4O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_N-4O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_4R!H->O_N-4O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 25, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O", + kinetics = ArrheniusBM(A=(12.4238,'m^3/(mol*s)'), n=1.8708, w0=(489.846,'kJ/mol'), E0=(19.2893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04930021323576575, var=3.387150604584605, Tref=1000.0, N=52, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O',), comment="""BM rule fitted to 52 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O + Total Standard Deviation in ln(k): 3.813427043264284"""), + rank = 11, + shortDesc = """BM rule fitted to 52 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O +Total Standard Deviation in ln(k): 3.813427043264284""", + longDesc = +""" +BM rule fitted to 52 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O +Total Standard Deviation in ln(k): 3.813427043264284 +""", +) + +entry( + index = 26, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R", + kinetics = ArrheniusBM(A=(8.02865e-05,'m^3/(mol*s)'), n=3.75717, w0=(488,'kJ/mol'), E0=(29.2324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 27, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R", + kinetics = ArrheniusBM(A=(109.89,'m^3/(mol*s)'), n=1.55825, w0=(489.882,'kJ/mol'), E0=(14.4963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005473442545390078, var=3.694209831852368, Tref=1000.0, N=51, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R',), comment="""BM rule fitted to 51 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R + Total Standard Deviation in ln(k): 3.8545416792400684"""), + rank = 11, + shortDesc = """BM rule fitted to 51 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R +Total Standard Deviation in ln(k): 3.8545416792400684""", + longDesc = +""" +BM rule fitted to 51 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R +Total Standard Deviation in ln(k): 3.8545416792400684 +""", +) + +entry( + index = 28, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(1.5805e+11,'m^3/(mol*s)'), n=-1.23736, w0=(489.091,'kJ/mol'), E0=(75.4327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6416859498408942, var=6.814562954080873, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F',), comment="""BM rule fitted to 22 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F + Total Standard Deviation in ln(k): 6.8455806171176565"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 6.8455806171176565""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 6.8455806171176565 +""", +) + +entry( + index = 29, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C", + kinetics = ArrheniusBM(A=(2.00021e+17,'m^3/(mol*s)'), n=-3.04674, w0=(488,'kJ/mol'), E0=(85.7504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.827778399962624, var=9.358465166072227, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C',), comment="""BM rule fitted to 21 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C + Total Standard Deviation in ln(k): 8.212652309049327"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C +Total Standard Deviation in ln(k): 8.212652309049327""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C +Total Standard Deviation in ln(k): 8.212652309049327 +""", +) + +entry( + index = 30, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.58584e+17,'m^3/(mol*s)'), n=-3.03127, w0=(488,'kJ/mol'), E0=(85.5329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8500891931538448, var=9.22912254008541, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R',), comment="""BM rule fitted to 20 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R + Total Standard Deviation in ln(k): 8.226181596038073"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R +Total Standard Deviation in ln(k): 8.226181596038073""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R +Total Standard Deviation in ln(k): 8.226181596038073 +""", +) + +entry( + index = 31, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(1.90907e+17,'m^3/(mol*s)'), n=-3.05794, w0=(488,'kJ/mol'), E0=(85.3543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9173515336655146, var=10.055953550067002, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C',), comment="""BM rule fitted to 19 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C + Total Standard Deviation in ln(k): 8.66214351766566"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 8.66214351766566""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 8.66214351766566 +""", +) + +entry( + index = 32, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.15903e+16,'m^3/(mol*s)'), n=-2.89248, w0=(488,'kJ/mol'), E0=(81.4865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2775692580480758, var=11.952947767173878, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 10.140950689856426"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 10.140950689856426""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 10.140950689856426 +""", +) + +entry( + index = 33, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.29136e+07,'m^3/(mol*s)'), n=0.0861431, w0=(488,'kJ/mol'), E0=(59.4493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06659030123294439, var=1.1556002742704363, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 2.3223794675973495"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 2.3223794675973495""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 2.3223794675973495 +""", +) + +entry( + index = 34, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.42886e+06,'m^3/(mol*s)'), n=0.235365, w0=(488,'kJ/mol'), E0=(55.6589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06440795821926179, var=1.5566627927561314, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 2.663062685995114"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.663062685995114""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.663062685995114 +""", +) + +entry( + index = 35, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(4e+07,'m^3/(mol*s)'), n=7.96515e-08, w0=(488,'kJ/mol'), E0=(51.7961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 36, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(2.60964e+06,'m^3/(mol*s)'), n=0.324322, w0=(488,'kJ/mol'), E0=(55.5647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07360480039737133, var=1.8030184330303483, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl',), comment="""BM rule fitted to 6 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 2.8768252194064368"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 2.8768252194064368""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 2.8768252194064368 +""", +) + +entry( + index = 37, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_7BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(3.99999e+07,'m^3/(mol*s)'), n=2.49718e-07, w0=(488,'kJ/mol'), E0=(52.4907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_7BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_7BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 38, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(274619,'m^3/(mol*s)'), n=0.601423, w0=(488,'kJ/mol'), E0=(53.0773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06023399688243861, var=2.184539609111721, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br',), comment="""BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 3.114377858503932"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 3.114377858503932""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 3.114377858503932 +""", +) + +entry( + index = 39, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(609.398,'m^3/(mol*s)'), n=1.36613, w0=(488,'kJ/mol'), E0=(42.811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01946351643641026, var=2.951778598927336, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R + Total Standard Deviation in ln(k): 3.493186713198203"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R +Total Standard Deviation in ln(k): 3.493186713198203""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R +Total Standard Deviation in ln(k): 3.493186713198203 +""", +) + +entry( + index = 40, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(533.293,'m^3/(mol*s)'), n=1.36, w0=(488,'kJ/mol'), E0=(39.976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0329604148074805, var=12.40129869791161, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 7.142585454252246"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.142585454252246""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.142585454252246 +""", +) + +entry( + index = 41, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.08858e+14,'m^3/(mol*s)'), n=-2.49155, w0=(488,'kJ/mol'), E0=(70.0092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.358632438906548, var=16.544366700446357, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 14.080425373897244"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 14.080425373897244""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 14.080425373897244 +""", +) + +entry( + index = 42, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl", + kinetics = ArrheniusBM(A=(6.04904e+06,'m^3/(mol*s)'), n=0.113731, w0=(488,'kJ/mol'), E0=(56.4573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003865851759614804, var=0.00855962672067688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl + Total Standard Deviation in ln(k): 0.19518777794098754"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl +Total Standard Deviation in ln(k): 0.19518777794098754""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl +Total Standard Deviation in ln(k): 0.19518777794098754 +""", +) + +entry( + index = 43, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_6R!H->F", + kinetics = ArrheniusBM(A=(1.45e+07,'m^3/(mol*s)'), n=-7.83479e-08, w0=(488,'kJ/mol'), E0=(57.2059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 44, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_N-6R!H->F", + kinetics = ArrheniusBM(A=(1.57e+07,'m^3/(mol*s)'), n=7.21174e-08, w0=(488,'kJ/mol'), E0=(59.2629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_N-6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_N-6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_5ClF->Cl_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 45, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_N-5ClF->Cl", + kinetics = ArrheniusBM(A=(372581,'m^3/(mol*s)'), n=-0.151998, w0=(488,'kJ/mol'), E0=(31.278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_N-5ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_N-5ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_N-5ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-1C-R_N-5R!H->C_N-5ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 46, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.05253e+11,'m^3/(mol*s)'), n=-0.94405, w0=(488,'kJ/mol'), E0=(68.6035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10975559287580511, var=5.877170347007915, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.135822202229103"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.135822202229103""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.135822202229103 +""", +) + +entry( + index = 47, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.64306e+08,'m^3/(mol*s)'), n=-0.330385, w0=(488,'kJ/mol'), E0=(62.4372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06533533488521438, var=8.78985488904541, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.107735430518403"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.107735430518403""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.107735430518403 +""", +) + +entry( + index = 48, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.18966e+07,'m^3/(mol*s)'), n=7.03745e-05, w0=(488,'kJ/mol'), E0=(62.3174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03864712176622337, var=10.3908108306248, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.559322867609506"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.559322867609506""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.559322867609506 +""", +) + +entry( + index = 49, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C", + kinetics = ArrheniusBM(A=(5.99999e+07,'m^3/(mol*s)'), n=1.63921e-07, w0=(488,'kJ/mol'), E0=(42.4198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 50, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.18676e+08,'m^3/(mol*s)'), n=4.50988e-06, w0=(488,'kJ/mol'), E0=(64.3436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003035193543450971, var=0.5650166138688031, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C + Total Standard Deviation in ln(k): 1.514537098288654"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 1.514537098288654""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 1.514537098288654 +""", +) + +entry( + index = 51, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_N-Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=3.87546e-08, w0=(488,'kJ/mol'), E0=(69.1958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_N-Sp-5R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_N-Sp-5R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_1R->C_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 52, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_N-1R->C", + kinetics = ArrheniusBM(A=(0.000129067,'m^3/(mol*s)'), n=3.24613, w0=(512,'kJ/mol'), E0=(36.9324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_4BrCClFINPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 53, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(116.136,'m^3/(mol*s)'), n=1.65467, w0=(490.483,'kJ/mol'), E0=(18.702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.028627197113605347, var=0.5241383255742291, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F',), comment="""BM rule fitted to 29 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F + Total Standard Deviation in ln(k): 1.5233036663366897"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 1.5233036663366897""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 1.5233036663366897 +""", +) + +entry( + index = 54, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R", + kinetics = ArrheniusBM(A=(10.8678,'m^3/(mol*s)'), n=1.96086, w0=(488,'kJ/mol'), E0=(15.2548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5268204646933324, var=2.699478697737499, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R',), comment="""BM rule fitted to 9 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R + Total Standard Deviation in ln(k): 4.61746735949439"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R +Total Standard Deviation in ln(k): 4.61746735949439""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R +Total Standard Deviation in ln(k): 4.61746735949439 +""", +) + +entry( + index = 55, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C", + kinetics = ArrheniusBM(A=(5.31844,'m^3/(mol*s)'), n=2.07318, w0=(488,'kJ/mol'), E0=(18.1021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6941671689859213, var=3.7265263295704956, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C',), comment="""BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C + Total Standard Deviation in ln(k): 5.614121875570809"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C +Total Standard Deviation in ln(k): 5.614121875570809""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C +Total Standard Deviation in ln(k): 5.614121875570809 +""", +) + +entry( + index = 56, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.70027,'m^3/(mol*s)'), n=2.22396, w0=(488,'kJ/mol'), E0=(19.6533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7130409499139813, var=3.9143479400384353, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R + Total Standard Deviation in ln(k): 5.757870613004102"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.757870613004102""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.757870613004102 +""", +) + +entry( + index = 57, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.842576,'m^3/(mol*s)'), n=2.33709, w0=(488,'kJ/mol'), E0=(13.1851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5869710436244162, var=6.694442966792131, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.661777304888731"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.661777304888731""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.661777304888731 +""", +) + +entry( + index = 58, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(7.35148,'m^3/(mol*s)'), n=2.1439, w0=(488,'kJ/mol'), E0=(29.7691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Ext-5R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 59, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R", + kinetics = ArrheniusBM(A=(47500,'m^3/(mol*s)'), n=0.733398, w0=(488,'kJ/mol'), E0=(25.7571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11298698253197874, var=1.9321067154812086, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R + Total Standard Deviation in ln(k): 3.0704734910771947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R +Total Standard Deviation in ln(k): 3.0704734910771947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R +Total Standard Deviation in ln(k): 3.0704734910771947 +""", +) + +entry( + index = 60, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R_Ext-1R-R", + kinetics = ArrheniusBM(A=(493,'m^3/(mol*s)'), n=1.35, w0=(488,'kJ/mol'), E0=(49.4562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R_Ext-1R-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R_Ext-1R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_Sp-5R!H-1R_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 61, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-1R", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=-7.6243e-08, w0=(488,'kJ/mol'), E0=(60.2811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-1R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-1R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-1R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-1R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 62, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-1R-R", + kinetics = ArrheniusBM(A=(5.75e+07,'m^3/(mol*s)'), n=-4.85858e-10, w0=(488,'kJ/mol'), E0=(39.166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-1R-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-1R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_4BrCCl->C_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 63, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C", + kinetics = ArrheniusBM(A=(5.54242e+09,'m^3/(mol*s)'), n=-0.879079, w0=(488,'kJ/mol'), E0=(67.6205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051297864087420736, var=1.74517464832434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C + Total Standard Deviation in ln(k): 2.777245552657166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C +Total Standard Deviation in ln(k): 2.777245552657166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C +Total Standard Deviation in ln(k): 2.777245552657166 +""", +) + +entry( + index = 64, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C_Ext-1R-R", + kinetics = ArrheniusBM(A=(1.02e+07,'m^3/(mol*s)'), n=-3.97413e-08, w0=(488,'kJ/mol'), E0=(58.8313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C_Ext-1R-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C_Ext-1R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_Ext-1R-R_N-4BrCCl->C_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 65, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C", + kinetics = ArrheniusBM(A=(370.368,'m^3/(mol*s)'), n=1.50222, w0=(488,'kJ/mol'), E0=(17.847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03860402301962059, var=0.2872215398668449, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C',), comment="""BM rule fitted to 17 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C + Total Standard Deviation in ln(k): 1.1713937781193506"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C +Total Standard Deviation in ln(k): 1.1713937781193506""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C +Total Standard Deviation in ln(k): 1.1713937781193506 +""", +) + +entry( + index = 66, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C", + kinetics = ArrheniusBM(A=(247.777,'m^3/(mol*s)'), n=1.56067, w0=(488,'kJ/mol'), E0=(18.9426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.039393149878431975, var=0.31093821758357226, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C',), comment="""BM rule fitted to 15 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C + Total Standard Deviation in ln(k): 1.2168548175617186"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C +Total Standard Deviation in ln(k): 1.2168548175617186""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C +Total Standard Deviation in ln(k): 1.2168548175617186 +""", +) + +entry( + index = 67, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(165.645,'m^3/(mol*s)'), n=1.61707, w0=(488,'kJ/mol'), E0=(20.229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053973327774582205, var=0.28440794597595515, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R',), comment="""BM rule fitted to 13 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R + Total Standard Deviation in ln(k): 1.204734818744234"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.204734818744234""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.204734818744234 +""", +) + +entry( + index = 68, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F", + kinetics = ArrheniusBM(A=(167.938,'m^3/(mol*s)'), n=1.68733, w0=(488,'kJ/mol'), E0=(31.8703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6659964237859721, var=0.5677546093244085, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F',), comment="""BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F + Total Standard Deviation in ln(k): 3.183915565237024"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F +Total Standard Deviation in ln(k): 3.183915565237024""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F +Total Standard Deviation in ln(k): 3.183915565237024 +""", +) + +entry( + index = 69, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R", + kinetics = ArrheniusBM(A=(13.2582,'m^3/(mol*s)'), n=2.00627, w0=(488,'kJ/mol'), E0=(25.2911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9439051177667745, var=0.47175639049733537, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R + Total Standard Deviation in ln(k): 3.748563654185021"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 3.748563654185021""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 3.748563654185021 +""", +) + +entry( + index = 70, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C", + kinetics = ArrheniusBM(A=(2.41804e+08,'m^3/(mol*s)'), n=-0.0406955, w0=(488,'kJ/mol'), E0=(69.1215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021209987262013442, var=0.10302546539130754, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C + Total Standard Deviation in ln(k): 0.6967628743012348"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C +Total Standard Deviation in ln(k): 0.6967628743012348""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C +Total Standard Deviation in ln(k): 0.6967628743012348 +""", +) + +entry( + index = 71, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=7.94825e-09, w0=(488,'kJ/mol'), E0=(64.4821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_Sp-4C-1C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 72, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_N-Sp-4C-1C", + kinetics = ArrheniusBM(A=(14.1308,'m^3/(mol*s)'), n=1.99015, w0=(488,'kJ/mol'), E0=(22.7999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_N-Sp-4C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_N-Sp-4C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_N-Sp-4C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_5R!H->F_Ext-4C-R_N-Sp-4C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 73, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(912.128,'m^3/(mol*s)'), n=1.34404, w0=(488,'kJ/mol'), E0=(17.3772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29885511793612285, var=0.602316126664036, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F',), comment="""BM rule fitted to 8 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F + Total Standard Deviation in ln(k): 2.3067476687678057"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.3067476687678057""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.3067476687678057 +""", +) + +entry( + index = 74, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(182.564,'m^3/(mol*s)'), n=1.59216, w0=(488,'kJ/mol'), E0=(20.0852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6748501791213325, var=0.9622715667715873, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C',), comment="""BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 3.662157192721491"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 3.662157192721491""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 3.662157192721491 +""", +) + +entry( + index = 75, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Sp-4C-1C", + kinetics = ArrheniusBM(A=(9.8545e+06,'m^3/(mol*s)'), n=-8.95713e-09, w0=(488,'kJ/mol'), E0=(33.8613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.1590741938385145e-10, var=0.5041926433011674, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Sp-4C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Sp-4C-1C + Total Standard Deviation in ln(k): 1.423492692182439"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Sp-4C-1C +Total Standard Deviation in ln(k): 1.423492692182439""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Sp-4C-1C +Total Standard Deviation in ln(k): 1.423492692182439 +""", +) + +entry( + index = 76, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C", + kinetics = ArrheniusBM(A=(39.5589,'m^3/(mol*s)'), n=1.81563, w0=(488,'kJ/mol'), E0=(22.3586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8301524008731034, var=1.5757020283651688, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C + Total Standard Deviation in ln(k): 4.6022932585139555"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C +Total Standard Deviation in ln(k): 4.6022932585139555""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C +Total Standard Deviation in ln(k): 4.6022932585139555 +""", +) + +entry( + index = 77, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C_Ext-4C-R", + kinetics = ArrheniusBM(A=(12.6584,'m^3/(mol*s)'), n=1.99288, w0=(488,'kJ/mol'), E0=(25.3087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_N-5BrCClINOPSSi->C_N-Sp-4C-1C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 78, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.52222e+06,'m^3/(mol*s)'), n=2.36513e-09, w0=(488,'kJ/mol'), E0=(34.5287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 79, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-5BrCClINOPSSi-R", + kinetics = ArrheniusBM(A=(6.48333e+06,'m^3/(mol*s)'), n=-1.10182e-08, w0=(488,'kJ/mol'), E0=(34.954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-5BrCClINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-5BrCClINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-5BrCClINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Ext-4C-R_N-5R!H->F_Ext-5BrCClINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 80, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Sp-4C-1C", + kinetics = ArrheniusBM(A=(8e+06,'m^3/(mol*s)'), n=-5.56357e-10, w0=(488,'kJ/mol'), E0=(41.5868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Sp-4C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Sp-4C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Sp-4C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_Sp-4C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 81, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_N-Sp-4C-1C", + kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=4.33284e-08, w0=(488,'kJ/mol'), E0=(44.8529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_N-Sp-4C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_N-Sp-4C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_N-Sp-4C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_4BrCCl->C_N-Sp-4C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 82, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C", + kinetics = ArrheniusBM(A=(694806,'m^3/(mol*s)'), n=0.406354, w0=(488,'kJ/mol'), E0=(35.6343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02806631528631542, var=0.14384262085437624, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C + Total Standard Deviation in ln(k): 0.83084602809199"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C +Total Standard Deviation in ln(k): 0.83084602809199""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C +Total Standard Deviation in ln(k): 0.83084602809199 +""", +) + +entry( + index = 83, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_4BrCl->Br", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=1.5162e-08, w0=(488,'kJ/mol'), E0=(48.2928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_4BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_4BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 84, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_N-4BrCl->Br", + kinetics = ArrheniusBM(A=(1.65667e+07,'m^3/(mol*s)'), n=4.05067e-08, w0=(488,'kJ/mol'), E0=(49.7515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_N-4BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_N-4BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_N-4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_1R->C_N-4BrCCl->C_N-4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 85, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C", + kinetics = ArrheniusBM(A=(1.72188e+06,'m^3/(mol*s)'), n=0.446745, w0=(512,'kJ/mol'), E0=(31.8529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005226722094807257, var=0.5241293590344969, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C + Total Standard Deviation in ln(k): 1.4644960884289362"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 1.4644960884289362""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 1.4644960884289362 +""", +) + +entry( + index = 86, + label = "Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C_Ext-4BrCCl-R", + kinetics = ArrheniusBM(A=(2.95635e+07,'m^3/(mol*s)'), n=9.5884e-09, w0=(512,'kJ/mol'), E0=(31.0842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.750416433818764e-10, var=0.5041926400521737, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C_Ext-4BrCCl-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C_Ext-4BrCCl-R + Total Standard Deviation in ln(k): 1.4234926879958134"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C_Ext-4BrCCl-R +Total Standard Deviation in ln(k): 1.4234926879958134""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_Ext-1R-R_N-4R!H->O_N-Sp-4BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#1R_N-4BrCClFINPSSi->F_N-1R->C_Ext-4BrCCl-R +Total Standard Deviation in ln(k): 1.4234926879958134 +""", +) + +entry( + index = 87, + label = "Root_3R->F_1R->O", + kinetics = ArrheniusBM(A=(1646.56,'m^3/(mol*s)'), n=1.33766, w0=(512,'kJ/mol'), E0=(20.164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6370043035372955, var=0.10082401442759896, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_1R->O',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_1R->O + Total Standard Deviation in ln(k): 2.237072793491757"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_1R->O +Total Standard Deviation in ln(k): 2.237072793491757""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_1R->O +Total Standard Deviation in ln(k): 2.237072793491757 +""", +) + +entry( + index = 88, + label = "Root_3R->F_1R->O_1O-u0", + kinetics = ArrheniusBM(A=(559.171,'m^3/(mol*s)'), n=1.48571, w0=(512,'kJ/mol'), E0=(15.8968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_1R->O_1O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_1R->O_1O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_1R->O_1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_1R->O_1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 89, + label = "Root_3R->F_1R->O_N-1O-u0", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=1.45208e-08, w0=(512,'kJ/mol'), E0=(33.693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_1R->O_N-1O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_1R->O_N-1O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_1R->O_N-1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_1R->O_N-1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 90, + label = "Root_3R->F_N-1R->O", + kinetics = ArrheniusBM(A=(25526.5,'m^3/(mol*s)'), n=1.16685, w0=(486.625,'kJ/mol'), E0=(26.0895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020183696593181127, var=1.7068824658578303, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->F_N-1R->O',), comment="""BM rule fitted to 4 training reactions at node Root_3R->F_N-1R->O + Total Standard Deviation in ln(k): 2.669853316381464"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->F_N-1R->O +Total Standard Deviation in ln(k): 2.669853316381464""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->F_N-1R->O +Total Standard Deviation in ln(k): 2.669853316381464 +""", +) + +entry( + index = 91, + label = "Root_3R->F_N-1R->O_1BrCClH->Br", + kinetics = ArrheniusBM(A=(2.71e+07,'m^3/(mol*s)'), n=-3.43935e-09, w0=(463.5,'kJ/mol'), E0=(52.2832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_N-1R->O_1BrCClH->Br',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_1BrCClH->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_1BrCClH->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_1BrCClH->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 92, + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br", + kinetics = ArrheniusBM(A=(19921.2,'m^3/(mol*s)'), n=1.20946, w0=(494.333,'kJ/mol'), E0=(21.3006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01725216303282614, var=1.8922887354668425, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->F_N-1R->O_N-1BrCClH->Br',), comment="""BM rule fitted to 3 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br + Total Standard Deviation in ln(k): 2.8010704621344837"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br +Total Standard Deviation in ln(k): 2.8010704621344837""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br +Total Standard Deviation in ln(k): 2.8010704621344837 +""", +) + +entry( + index = 93, + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_1CClH->Cl", + kinetics = ArrheniusBM(A=(8198.21,'m^3/(mol*s)'), n=1.25961, w0=(496.5,'kJ/mol'), E0=(34.47,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_N-1R->O_N-1BrCClH->Br_1CClH->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_1CClH->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_1CClH->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_1CClH->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 94, + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl", + kinetics = ArrheniusBM(A=(48228.6,'m^3/(mol*s)'), n=1.15542, w0=(493.25,'kJ/mol'), E0=(32.0328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08822284799423828, var=0.017272233153266797, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl + Total Standard Deviation in ln(k): 0.4851354859663042"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl +Total Standard Deviation in ln(k): 0.4851354859663042""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl +Total Standard Deviation in ln(k): 0.4851354859663042 +""", +) + +entry( + index = 95, + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_1CH->C", + kinetics = ArrheniusBM(A=(5.9e+06,'m^3/(mol*s)'), n=0.5, w0=(488,'kJ/mol'), E0=(39.2955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_1CH->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_1CH->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_1CH->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_1CH->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 96, + label = "Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_N-1CH->C", + kinetics = ArrheniusBM(A=(40151.1,'m^3/(mol*s)'), n=1.18312, w0=(498.5,'kJ/mol'), E0=(33.3734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_N-1CH->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_N-1CH->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_N-1CH->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->F_N-1R->O_N-1BrCClH->Br_N-1CClH->Cl_N-1CH->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 97, + label = "Root_N-3R->F", + kinetics = ArrheniusBM(A=(16.3574,'m^3/(mol*s)'), n=1.55176, w0=(412.962,'kJ/mol'), E0=(24.6459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09442381260549039, var=14.576813197820575, Tref=1000.0, N=7489, data_mean=0.0, correlation='Root_N-3R->F',), comment="""BM rule fitted to 7489 training reactions at node Root_N-3R->F + Total Standard Deviation in ln(k): 7.8912426881957805"""), + rank = 11, + shortDesc = """BM rule fitted to 7489 training reactions at node Root_N-3R->F +Total Standard Deviation in ln(k): 7.8912426881957805""", + longDesc = +""" +BM rule fitted to 7489 training reactions at node Root_N-3R->F +Total Standard Deviation in ln(k): 7.8912426881957805 +""", +) + +entry( + index = 98, + label = "Root_N-3R->F_3BrCClHINOS->C", + kinetics = ArrheniusBM(A=(258.729,'m^3/(mol*s)'), n=0.973442, w0=(412.408,'kJ/mol'), E0=(28.0834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015393361545862872, var=8.008958069370044, Tref=1000.0, N=5983, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C',), comment="""BM rule fitted to 5983 training reactions at node Root_N-3R->F_3BrCClHINOS->C + Total Standard Deviation in ln(k): 5.712097624583851"""), + rank = 11, + shortDesc = """BM rule fitted to 5983 training reactions at node Root_N-3R->F_3BrCClHINOS->C +Total Standard Deviation in ln(k): 5.712097624583851""", + longDesc = +""" +BM rule fitted to 5983 training reactions at node Root_N-3R->F_3BrCClHINOS->C +Total Standard Deviation in ln(k): 5.712097624583851 +""", +) + +entry( + index = 99, + label = "Root_N-3R->F_3BrCClHINOS->C_1R-u2", + kinetics = ArrheniusBM(A=(0.82,'m^3/(mol*s)'), n=1.87, w0=(398.5,'kJ/mol'), E0=(238.928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_1R-u2',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_1R-u2 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_1R-u2 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_1R-u2 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2", + kinetics = ArrheniusBM(A=(2351.7,'m^3/(mol*s)'), n=0.698429, w0=(412.41,'kJ/mol'), E0=(30.5782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04478417638862808, var=6.917646143931804, Tref=1000.0, N=5982, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2',), comment="""BM rule fitted to 5982 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2 + Total Standard Deviation in ln(k): 5.385260678730115"""), + rank = 11, + shortDesc = """BM rule fitted to 5982 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2 +Total Standard Deviation in ln(k): 5.385260678730115""", + longDesc = +""" +BM rule fitted to 5982 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2 +Total Standard Deviation in ln(k): 5.385260678730115 +""", +) + +entry( + index = 101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S", + kinetics = ArrheniusBM(A=(7.39776e+11,'m^3/(mol*s)'), n=-1.98603, w0=(387,'kJ/mol'), E0=(37.2345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14607062322712097, var=2.8036853440357654, Tref=1000.0, N=294, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S',), comment="""BM rule fitted to 294 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S + Total Standard Deviation in ln(k): 3.7237819249163997"""), + rank = 11, + shortDesc = """BM rule fitted to 294 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S +Total Standard Deviation in ln(k): 3.7237819249163997""", + longDesc = +""" +BM rule fitted to 294 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S +Total Standard Deviation in ln(k): 3.7237819249163997 +""", +) + +entry( + index = 102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0", + kinetics = ArrheniusBM(A=(9.96339,'m^3/(mol*s)'), n=1.59593, w0=(387,'kJ/mol'), E0=(31.6101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13955959814088284, var=8.700114083729058, Tref=1000.0, N=292, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0',), comment="""BM rule fitted to 292 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0 + Total Standard Deviation in ln(k): 6.263809979367383"""), + rank = 11, + shortDesc = """BM rule fitted to 292 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0 +Total Standard Deviation in ln(k): 6.263809979367383""", + longDesc = +""" +BM rule fitted to 292 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0 +Total Standard Deviation in ln(k): 6.263809979367383 +""", +) + +entry( + index = 103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing", + kinetics = ArrheniusBM(A=(34845.4,'m^3/(mol*s)'), n=0.835309, w0=(387,'kJ/mol'), E0=(12.6487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21080302822828675, var=0.5802910176620464, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing + Total Standard Deviation in ln(k): 2.056799580071714"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing +Total Standard Deviation in ln(k): 2.056799580071714""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing +Total Standard Deviation in ln(k): 2.056799580071714 +""", +) + +entry( + index = 104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R", + kinetics = ArrheniusBM(A=(84249.4,'m^3/(mol*s)'), n=0.732185, w0=(387,'kJ/mol'), E0=(13.0828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2205746378713014, var=0.4200518720068414, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R + Total Standard Deviation in ln(k): 1.8535046806674536"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R +Total Standard Deviation in ln(k): 1.8535046806674536""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R +Total Standard Deviation in ln(k): 1.8535046806674536 +""", +) + +entry( + index = 105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C", + kinetics = ArrheniusBM(A=(43135.8,'m^3/(mol*s)'), n=0.811671, w0=(387,'kJ/mol'), E0=(12.0798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21304281245222242, var=0.419024484994846, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C + Total Standard Deviation in ln(k): 1.8329905757226859"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C +Total Standard Deviation in ln(k): 1.8329905757226859""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C +Total Standard Deviation in ln(k): 1.8329905757226859 +""", +) + +entry( + index = 106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(118429,'m^3/(mol*s)'), n=0.687575, w0=(387,'kJ/mol'), E0=(12.1548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22480166503970284, var=0.39432392106338165, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 1.8237060354790002"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.8237060354790002""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.8237060354790002 +""", +) + +entry( + index = 107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(92741.4,'m^3/(mol*s)'), n=0.699742, w0=(387,'kJ/mol'), E0=(9.67757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22364884429332188, var=0.02558263290609918, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C + Total Standard Deviation in ln(k): 0.8825805621854512"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 0.8825805621854512""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 0.8825805621854512 +""", +) + +entry( + index = 108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C", + kinetics = ArrheniusBM(A=(10873.1,'m^3/(mol*s)'), n=1.01606, w0=(387,'kJ/mol'), E0=(8.09811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C", + kinetics = ArrheniusBM(A=(791030,'m^3/(mol*s)'), n=0.383418, w0=(387,'kJ/mol'), E0=(11.257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_4C-inRing", + kinetics = ArrheniusBM(A=(5899.47,'m^3/(mol*s)'), n=1.06473, w0=(387,'kJ/mol'), E0=(16.0508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.87676e+06,'m^3/(mol*s)'), n=0.286088, w0=(387,'kJ/mol'), E0=(13.2131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(2.39448e+06,'m^3/(mol*s)'), n=0.334753, w0=(387,'kJ/mol'), E0=(18.0979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_3C-inRing_Ext-1S-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing", + kinetics = ArrheniusBM(A=(0.155088,'m^3/(mol*s)'), n=2.10946, w0=(387,'kJ/mol'), E0=(26.3089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07888631429960774, var=8.72171100231943, Tref=1000.0, N=285, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing',), comment="""BM rule fitted to 285 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing + Total Standard Deviation in ln(k): 6.1186993217279975"""), + rank = 11, + shortDesc = """BM rule fitted to 285 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing +Total Standard Deviation in ln(k): 6.1186993217279975""", + longDesc = +""" +BM rule fitted to 285 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing +Total Standard Deviation in ln(k): 6.1186993217279975 +""", +) + +entry( + index = 114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.210268,'m^3/(mol*s)'), n=2.07311, w0=(387,'kJ/mol'), E0=(26.1695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.047329233969169826, var=9.555730290203833, Tref=1000.0, N=276, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R',), comment="""BM rule fitted to 276 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 6.316023763987552"""), + rank = 11, + shortDesc = """BM rule fitted to 276 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 6.316023763987552""", + longDesc = +""" +BM rule fitted to 276 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 6.316023763987552 +""", +) + +entry( + index = 115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000247859,'m^3/(mol*s)'), n=2.83413, w0=(387,'kJ/mol'), E0=(25.3724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04846970478500205, var=7.411038441840586, Tref=1000.0, N=190, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R',), comment="""BM rule fitted to 190 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 5.579318087709468"""), + rank = 11, + shortDesc = """BM rule fitted to 190 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.579318087709468""", + longDesc = +""" +BM rule fitted to 190 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.579318087709468 +""", +) + +entry( + index = 116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(7.42154,'m^3/(mol*s)'), n=1.60092, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16370154857300834, var=47.259144860016384, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 14.192919250872837"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 14.192919250872837""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 14.192919250872837 +""", +) + +entry( + index = 117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(1733.95,'m^3/(mol*s)'), n=0.906434, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22107823946828462, var=160.79966703345406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R + Total Standard Deviation in ln(k): 25.976878685631117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 25.976878685631117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 25.976878685631117 +""", +) + +entry( + index = 118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Sp-6R!H-3C", + kinetics = ArrheniusBM(A=(0.000266737,'m^3/(mol*s)'), n=2.51662, w0=(387,'kJ/mol'), E0=(3.5358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Sp-6R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Sp-6R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_N-Sp-6R!H-3C", + kinetics = ArrheniusBM(A=(1.12716e+10,'m^3/(mol*s)'), n=-0.703756, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_N-Sp-6R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_N-Sp-6R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_N-Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_N-Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.00010007,'m^3/(mol*s)'), n=2.94626, w0=(387,'kJ/mol'), E0=(24.5108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03600651591485269, var=7.281438874028794, Tref=1000.0, N=187, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 187 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 5.500074113889162"""), + rank = 11, + shortDesc = """BM rule fitted to 187 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.500074113889162""", + longDesc = +""" +BM rule fitted to 187 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.500074113889162 +""", +) + +entry( + index = 121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C", + kinetics = ArrheniusBM(A=(4.96347,'m^3/(mol*s)'), n=1.54223, w0=(387,'kJ/mol'), E0=(32.9742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22859304920988505, var=5.120404794556111, Tref=1000.0, N=146, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C',), comment="""BM rule fitted to 146 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C + Total Standard Deviation in ln(k): 5.110731367272958"""), + rank = 11, + shortDesc = """BM rule fitted to 146 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C +Total Standard Deviation in ln(k): 5.110731367272958""", + longDesc = +""" +BM rule fitted to 146 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C +Total Standard Deviation in ln(k): 5.110731367272958 +""", +) + +entry( + index = 122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(22.3295,'m^3/(mol*s)'), n=1.32535, w0=(387,'kJ/mol'), E0=(34.2408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2287828947382645, var=5.642134395550837, Tref=1000.0, N=123, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 123 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 5.336714199636967"""), + rank = 11, + shortDesc = """BM rule fitted to 123 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.336714199636967""", + longDesc = +""" +BM rule fitted to 123 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.336714199636967 +""", +) + +entry( + index = 123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(45.8042,'m^3/(mol*s)'), n=1.16777, w0=(387,'kJ/mol'), E0=(47.5502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19711894684174608, var=9.945167567488248, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.8173982048724"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.8173982048724""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.8173982048724 +""", +) + +entry( + index = 124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.0190512,'m^3/(mol*s)'), n=2.07796, w0=(387,'kJ/mol'), E0=(40.7134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2438891603819654, var=8.603071434952225, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 6.492873863840145"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 6.492873863840145""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 6.492873863840145 +""", +) + +entry( + index = 125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.04173,'m^3/(mol*s)'), n=1.81502, w0=(387,'kJ/mol'), E0=(41.3604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13343053699222604, var=9.874940728802624, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R + Total Standard Deviation in ln(k): 6.635015994342212"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 6.635015994342212""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 6.635015994342212 +""", +) + +entry( + index = 126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.0857287,'m^3/(mol*s)'), n=1.71484, w0=(387,'kJ/mol'), E0=(41.9118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16634532540517627, var=12.506377327427364, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R + Total Standard Deviation in ln(k): 7.507569738003497"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.507569738003497""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.507569738003497 +""", +) + +entry( + index = 127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C", + kinetics = ArrheniusBM(A=(0.0304344,'m^3/(mol*s)'), n=1.79884, w0=(387,'kJ/mol'), E0=(40.1214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14276378464722406, var=16.498229318489546, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C + Total Standard Deviation in ln(k): 8.501538401020728"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C +Total Standard Deviation in ln(k): 8.501538401020728""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C +Total Standard Deviation in ln(k): 8.501538401020728 +""", +) + +entry( + index = 128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(0.026421,'m^3/(mol*s)'), n=1.76644, w0=(387,'kJ/mol'), E0=(40.8453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1645989298377735, var=22.52770914523693, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 9.92871220433475"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 9.92871220433475""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 9.92871220433475 +""", +) + +entry( + index = 129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.14e-08,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(38.567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C", + kinetics = ArrheniusBM(A=(6.03e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(29.6881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C", + kinetics = ArrheniusBM(A=(0.100414,'m^3/(mol*s)'), n=1.84436, w0=(387,'kJ/mol'), E0=(35.5877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1985486391898394, var=10.387587683157356, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C + Total Standard Deviation in ln(k): 6.960083131728947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C +Total Standard Deviation in ln(k): 6.960083131728947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C +Total Standard Deviation in ln(k): 6.960083131728947 +""", +) + +entry( + index = 132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing", + kinetics = ArrheniusBM(A=(5.14e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(33.5822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing", + kinetics = ArrheniusBM(A=(6.41e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(14.8683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.05e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(35.2072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-3C-R_Ext-1S-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.0144915,'m^3/(mol*s)'), n=2.2692, w0=(387,'kJ/mol'), E0=(40.404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3630044338175388, var=10.875885742310583, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R + Total Standard Deviation in ln(k): 7.5234086332666985"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 7.5234086332666985""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 7.5234086332666985 +""", +) + +entry( + index = 136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.00125345,'m^3/(mol*s)'), n=2.53846, w0=(387,'kJ/mol'), E0=(37.1233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3448381054688326, var=14.501768262314998, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C + Total Standard Deviation in ln(k): 8.50069659772972"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 8.50069659772972""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 8.50069659772972 +""", +) + +entry( + index = 137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(0.00165653,'m^3/(mol*s)'), n=2.45806, w0=(387,'kJ/mol'), E0=(38.6123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.369180597786836, var=19.357241467933196, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 9.747795336413967"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.747795336413967""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.747795336413967 +""", +) + +entry( + index = 138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.36e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(41.7831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C", + kinetics = ArrheniusBM(A=(1.13e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(34.4157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C", + kinetics = ArrheniusBM(A=(0.0253318,'m^3/(mol*s)'), n=2.33989, w0=(387,'kJ/mol'), E0=(34.8725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40648209454997764, var=8.796865419739449, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C + Total Standard Deviation in ln(k): 6.967257831724742"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C +Total Standard Deviation in ln(k): 6.967257831724742""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C +Total Standard Deviation in ln(k): 6.967257831724742 +""", +) + +entry( + index = 141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing", + kinetics = ArrheniusBM(A=(6.96e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(36.853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing", + kinetics = ArrheniusBM(A=(8.67e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(19.84,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.000104,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(38.0574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_N-Sp-5C=4R!H_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.63261,'m^3/(mol*s)'), n=1.56967, w0=(387,'kJ/mol'), E0=(45.9037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05564869371683271, var=9.91339255876098, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 6.451837570624721"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.451837570624721""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.451837570624721 +""", +) + +entry( + index = 145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R", + kinetics = ArrheniusBM(A=(2.57024,'m^3/(mol*s)'), n=1.37943, w0=(387,'kJ/mol'), E0=(46.5241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0994182582164347, var=12.626203716525708, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R + Total Standard Deviation in ln(k): 7.373293910755552"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.373293910755552""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.373293910755552 +""", +) + +entry( + index = 146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C", + kinetics = ArrheniusBM(A=(13.6986,'m^3/(mol*s)'), n=1.1477, w0=(387,'kJ/mol'), E0=(47.8202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09687232833814172, var=17.002671006473026, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C + Total Standard Deviation in ln(k): 8.509781607817231"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C +Total Standard Deviation in ln(k): 8.509781607817231""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C +Total Standard Deviation in ln(k): 8.509781607817231 +""", +) + +entry( + index = 147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(9.69869,'m^3/(mol*s)'), n=1.13235, w0=(387,'kJ/mol'), E0=(47.3435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09911405717862425, var=24.142657783840463, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 10.099331906516763"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 10.099331906516763""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 10.099331906516763 +""", +) + +entry( + index = 148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(3.81e-08,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(41.5886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C", + kinetics = ArrheniusBM(A=(4.89e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(26.6388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_Sp-10R!H#9C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C", + kinetics = ArrheniusBM(A=(17.3688,'m^3/(mol*s)'), n=1.23853, w0=(387,'kJ/mol'), E0=(42.9534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25808554053874455, var=14.076419843545379, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C + Total Standard Deviation in ln(k): 8.169932498423575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C +Total Standard Deviation in ln(k): 8.169932498423575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C +Total Standard Deviation in ln(k): 8.169932498423575 +""", +) + +entry( + index = 151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing", + kinetics = ArrheniusBM(A=(6.83e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(36.4063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing", + kinetics = ArrheniusBM(A=(8.52e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(12.8774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_9R!H->C_Ext-9C-R_N-Sp-10R!H#9C_N-9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(9.01e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(35.4286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-3C-R_Ext-1S-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R", + kinetics = ArrheniusBM(A=(34801.9,'m^3/(mol*s)'), n=0.577028, w0=(387,'kJ/mol'), E0=(47.8088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10542099888250638, var=12.096315206955756, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R + Total Standard Deviation in ln(k): 7.237296834080804"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.237296834080804""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.237296834080804 +""", +) + +entry( + index = 155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C", + kinetics = ArrheniusBM(A=(330927,'m^3/(mol*s)'), n=0.282734, w0=(387,'kJ/mol'), E0=(49.4152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10956849820821234, var=16.243215716847725, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C + Total Standard Deviation in ln(k): 8.354956055558961"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 8.354956055558961""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 8.354956055558961 +""", +) + +entry( + index = 156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(102233,'m^3/(mol*s)'), n=0.374853, w0=(387,'kJ/mol'), E0=(48.5488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39452911658650014, var=29.14749449720267, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 11.814527039721716"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 11.814527039721716""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 11.814527039721716 +""", +) + +entry( + index = 157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.14e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(36.0549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C", + kinetics = ArrheniusBM(A=(0.000135,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(22.8647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C", + kinetics = ArrheniusBM(A=(475181,'m^3/(mol*s)'), n=0.339589, w0=(387,'kJ/mol'), E0=(44.5639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.539059284087763, var=21.145729436269917, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C + Total Standard Deviation in ln(k): 10.573091502049396"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C +Total Standard Deviation in ln(k): 10.573091502049396""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C +Total Standard Deviation in ln(k): 10.573091502049396 +""", +) + +entry( + index = 160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing", + kinetics = ArrheniusBM(A=(0.000136,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(30.5246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing", + kinetics = ArrheniusBM(A=(2.97407,'m^3/(mol*s)'), n=1.84435, w0=(387,'kJ/mol'), E0=(4.5391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.000132,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(31.2434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Ext-6R!H-R_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C", + kinetics = ArrheniusBM(A=(0.247859,'m^3/(mol*s)'), n=1.88369, w0=(387,'kJ/mol'), E0=(23.7848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18835411611216263, var=3.7423473913955863, Tref=1000.0, N=81, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C',), comment="""BM rule fitted to 81 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C + Total Standard Deviation in ln(k): 4.351441163128534"""), + rank = 11, + shortDesc = """BM rule fitted to 81 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C +Total Standard Deviation in ln(k): 4.351441163128534""", + longDesc = +""" +BM rule fitted to 81 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C +Total Standard Deviation in ln(k): 4.351441163128534 +""", +) + +entry( + index = 164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S", + kinetics = ArrheniusBM(A=(13.7507,'m^3/(mol*s)'), n=1.41063, w0=(387,'kJ/mol'), E0=(29.8735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26329769453249435, var=5.062717597507643, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S + Total Standard Deviation in ln(k): 5.172302858376033"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S +Total Standard Deviation in ln(k): 5.172302858376033""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S +Total Standard Deviation in ln(k): 5.172302858376033 +""", +) + +entry( + index = 165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(77.545,'m^3/(mol*s)'), n=1.19669, w0=(387,'kJ/mol'), E0=(32.9078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21495887206701347, var=5.700575940759987, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H + Total Standard Deviation in ln(k): 5.326578865432917"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H +Total Standard Deviation in ln(k): 5.326578865432917""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H +Total Standard Deviation in ln(k): 5.326578865432917 +""", +) + +entry( + index = 166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R", + kinetics = ArrheniusBM(A=(115.915,'m^3/(mol*s)'), n=1.14232, w0=(387,'kJ/mol'), E0=(33.6579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25485566978850116, var=6.96079193680976, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R + Total Standard Deviation in ln(k): 5.929496139305875"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 5.929496139305875""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 5.929496139305875 +""", +) + +entry( + index = 167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(255.265,'m^3/(mol*s)'), n=1.02492, w0=(387,'kJ/mol'), E0=(34.2031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25818328299697724, var=9.046258884344201, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 6.6783432731594"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 6.6783432731594""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 6.6783432731594 +""", +) + +entry( + index = 168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(3.71876e-05,'m^3/(mol*s)'), n=3.06367, w0=(387,'kJ/mol'), E0=(19.8487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005018362290720485, var=0.20471518307186237, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing + Total Standard Deviation in ln(k): 0.919660597928423"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 0.919660597928423""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 0.919660597928423 +""", +) + +entry( + index = 169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.8e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(15.1652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(3662.69,'m^3/(mol*s)'), n=0.670633, w0=(387,'kJ/mol'), E0=(36.3946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3132183386296844, var=12.815106749036207, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 7.963570219718471"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 7.963570219718471""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 7.963570219718471 +""", +) + +entry( + index = 171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(4.70838e+06,'m^3/(mol*s)'), n=-0.400402, w0=(387,'kJ/mol'), E0=(40.3051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4957205445114991, var=28.893631983880837, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 12.02154079606794"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 12.02154079606794""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 12.02154079606794 +""", +) + +entry( + index = 172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.35061,'m^3/(mol*s)'), n=1.78497, w0=(387,'kJ/mol'), E0=(3.99211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34360375096656903, var=0.10356419790065423, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 1.5084776575177863"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 1.5084776575177863""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 1.5084776575177863 +""", +) + +entry( + index = 173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(318.402,'m^3/(mol*s)'), n=1.0112, w0=(387,'kJ/mol'), E0=(8.46214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.36551e-07,'m^3/(mol*s)'), n=2.9278, w0=(387,'kJ/mol'), E0=(19.5344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17678839536791416, var=1.4029387087581746, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.8187147178394243"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.8187147178394243""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.8187147178394243 +""", +) + +entry( + index = 175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.24e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(14.0367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000566833,'m^3/(mol*s)'), n=2.67555, w0=(387,'kJ/mol'), E0=(6.80465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000671147,'m^3/(mol*s)'), n=2.72914, w0=(387,'kJ/mol'), E0=(20.9179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0195976586758922, var=0.23979710139207808, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.0309407168666562"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.0309407168666562""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.0309407168666562 +""", +) + +entry( + index = 178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.58e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(12.7151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00613834,'m^3/(mol*s)'), n=2.30569, w0=(387,'kJ/mol'), E0=(6.7386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Sp-5C=4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(12.774,'m^3/(mol*s)'), n=1.49003, w0=(387,'kJ/mol'), E0=(32.0287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31572016744525444, var=6.248038915393148, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 5.804318093151121"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 5.804318093151121""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 5.804318093151121 +""", +) + +entry( + index = 181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R", + kinetics = ArrheniusBM(A=(26.3003,'m^3/(mol*s)'), n=1.39492, w0=(387,'kJ/mol'), E0=(33.059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35372483376662717, var=7.848379411681693, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R + Total Standard Deviation in ln(k): 6.50501301157336"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 6.50501301157336""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 6.50501301157336 +""", +) + +entry( + index = 182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(14.9901,'m^3/(mol*s)'), n=1.42475, w0=(387,'kJ/mol'), E0=(31.3699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35466018321214254, var=10.559037099814466, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 7.405426871568515"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 7.405426871568515""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 7.405426871568515 +""", +) + +entry( + index = 183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(0.00013837,'m^3/(mol*s)'), n=3.01561, w0=(387,'kJ/mol'), E0=(23.9655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11673935143602654, var=0.24827994702951012, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing + Total Standard Deviation in ln(k): 1.292228289863413"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 1.292228289863413""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 1.292228289863413 +""", +) + +entry( + index = 184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.36e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(20.5192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(392.118,'m^3/(mol*s)'), n=0.969141, w0=(387,'kJ/mol'), E0=(33.2316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4225673119173762, var=16.026024682842387, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 9.087186148513116"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 9.087186148513116""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 9.087186148513116 +""", +) + +entry( + index = 186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(6634.31,'m^3/(mol*s)'), n=0.522594, w0=(387,'kJ/mol'), E0=(36.4649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5449644031949892, var=29.16736576809268, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 12.196193886581813"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 12.196193886581813""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 12.196193886581813 +""", +) + +entry( + index = 187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.00677794,'m^3/(mol*s)'), n=2.55875, w0=(387,'kJ/mol'), E0=(2.24309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6311827945653019, var=0.10921954423912371, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 2.2484188914782397"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.2484188914782397""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.2484188914782397 +""", +) + +entry( + index = 188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.350387,'m^3/(mol*s)'), n=1.99423, w0=(387,'kJ/mol'), E0=(-4.91503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.77994e-06,'m^3/(mol*s)'), n=2.88976, w0=(387,'kJ/mol'), E0=(23.6546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2814826251820717, var=1.313942323773325, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 3.0052169345088746"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.0052169345088746""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.0052169345088746 +""", +) + +entry( + index = 190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.19e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(19.1871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(4.98e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(11.8918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000749246,'m^3/(mol*s)'), n=2.85775, w0=(387,'kJ/mol'), E0=(25.2288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11668576280947035, var=0.13263561698333942, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.0232882467492714"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.0232882467492714""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.0232882467492714 +""", +) + +entry( + index = 193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(9.54e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(20.2704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(4.97141e-05,'m^3/(mol*s)'), n=2.99674, w0=(387,'kJ/mol'), E0=(3.66877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_N-Sp-5C=4R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R", + kinetics = ArrheniusBM(A=(3.76058,'m^3/(mol*s)'), n=1.4892, w0=(387,'kJ/mol'), E0=(24.6415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26935469984237326, var=7.480487415112081, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R + Total Standard Deviation in ln(k): 6.159817212631344"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 6.159817212631344""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 6.159817212631344 +""", +) + +entry( + index = 196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.52713e-07,'m^3/(mol*s)'), n=3.51307, w0=(387,'kJ/mol'), E0=(2.38649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14410254847519507, var=9.197702427028373, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 6.4419699326234365"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 6.4419699326234365""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 6.4419699326234365 +""", +) + +entry( + index = 197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00442817,'m^3/(mol*s)'), n=2.20419, w0=(387,'kJ/mol'), E0=(13.5214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06121745094843923, var=17.54420155392542, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 8.550805734898269"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 8.550805734898269""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 8.550805734898269 +""", +) + +entry( + index = 198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_7C-inRing", + kinetics = ArrheniusBM(A=(1.37e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(11.7054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.0591027,'m^3/(mol*s)'), n=1.83619, w0=(387,'kJ/mol'), E0=(14.9237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09459950274583526, var=32.372066190378966, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing + Total Standard Deviation in ln(k): 11.643919153012948"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.643919153012948""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.643919153012948 +""", +) + +entry( + index = 200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(3.87017,'m^3/(mol*s)'), n=1.20238, w0=(387,'kJ/mol'), E0=(18.8014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19841874864085532, var=100.39429869369522, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 20.585374681236058"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 20.585374681236058""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 20.585374681236058 +""", +) + +entry( + index = 201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.72634,'m^3/(mol*s)'), n=1.56939, w0=(387,'kJ/mol'), E0=(1.1893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(9.45e-08,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(9.55887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_Ext-3C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(5.5e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(20.477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(5.00608e-08,'m^3/(mol*s)'), n=3.76629, w0=(387,'kJ/mol'), E0=(2.67984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5056024325448768, var=24.899522371534342, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 11.273869874972359"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.273869874972359""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.273869874972359 +""", +) + +entry( + index = 205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.79213e-07,'m^3/(mol*s)'), n=3.50212, w0=(387,'kJ/mol'), E0=(1.66015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15925984204624488, var=75.82677779537694, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 17.857097224440786"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 17.857097224440786""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 17.857097224440786 +""", +) + +entry( + index = 206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.000670756,'m^3/(mol*s)'), n=2.77628, w0=(387,'kJ/mol'), E0=(2.42076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.71e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(18.2471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.00303041,'m^3/(mol*s)'), n=2.50035, w0=(387,'kJ/mol'), E0=(6.7854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05303013987865536, var=0.0660310208989344, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 0.6483883443826666"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.6483883443826666""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.6483883443826666 +""", +) + +entry( + index = 209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0491493,'m^3/(mol*s)'), n=2.0867, w0=(387,'kJ/mol'), E0=(2.82106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.27148e-05,'m^3/(mol*s)'), n=2.86388, w0=(387,'kJ/mol'), E0=(0.574846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_6R!H->S_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.0164921,'m^3/(mol*s)'), n=2.18701, w0=(387,'kJ/mol'), E0=(18.9678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1381616625271833, var=3.42422915215878, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R + Total Standard Deviation in ln(k): 4.056836520194779"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R +Total Standard Deviation in ln(k): 4.056836520194779""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R +Total Standard Deviation in ln(k): 4.056836520194779 +""", +) + +entry( + index = 212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.22671e-07,'m^3/(mol*s)'), n=3.65677, w0=(387,'kJ/mol'), E0=(0.325613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005528970693456529, var=3.242014356953018, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 3.6235365878562846"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 3.6235365878562846""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 3.6235365878562846 +""", +) + +entry( + index = 213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.11658e-05,'m^3/(mol*s)'), n=2.97843, w0=(387,'kJ/mol'), E0=(1.50958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.049147194799517846, var=4.680768170339773, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 4.460746396171502"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 4.460746396171502""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 4.460746396171502 +""", +) + +entry( + index = 214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(5.56682e-05,'m^3/(mol*s)'), n=2.74384, w0=(387,'kJ/mol'), E0=(6.13792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06992688844868111, var=5.921278801443825, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R + Total Standard Deviation in ln(k): 5.05395346444799"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.05395346444799""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.05395346444799 +""", +) + +entry( + index = 215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C", + kinetics = ArrheniusBM(A=(0.000651458,'m^3/(mol*s)'), n=2.54406, w0=(387,'kJ/mol'), E0=(5.60146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.136652682318973, var=1.2338367262145713, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C + Total Standard Deviation in ln(k): 2.5701721541762588"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 2.5701721541762588""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 2.5701721541762588 +""", +) + +entry( + index = 216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C", + kinetics = ArrheniusBM(A=(0.00790201,'m^3/(mol*s)'), n=2.15158, w0=(387,'kJ/mol'), E0=(0.0202751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0860779040082639, var=0.7236789230850676, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C + Total Standard Deviation in ln(k): 1.9216906418799984"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C +Total Standard Deviation in ln(k): 1.9216906418799984""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C +Total Standard Deviation in ln(k): 1.9216906418799984 +""", +) + +entry( + index = 217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_Sp-5C#4R!H", + kinetics = ArrheniusBM(A=(0.000465201,'m^3/(mol*s)'), n=2.47602, w0=(387,'kJ/mol'), E0=(2.12024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_Sp-5C#4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_Sp-5C#4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_Sp-5C#4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_Sp-5C#4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H", + kinetics = ArrheniusBM(A=(0.0325676,'m^3/(mol*s)'), n=1.98937, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10144895328966413, var=0.6812877371569627, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H + Total Standard Deviation in ln(k): 1.9096083301450977"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H +Total Standard Deviation in ln(k): 1.9096083301450977""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H +Total Standard Deviation in ln(k): 1.9096083301450977 +""", +) + +entry( + index = 219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(19.2958,'m^3/(mol*s)'), n=1.1134, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(5.49678e-05,'m^3/(mol*s)'), n=2.86534, w0=(387,'kJ/mol'), E0=(4.58451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_Sp-9C#7C_N-Sp-5C#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C", + kinetics = ArrheniusBM(A=(0.000627301,'m^3/(mol*s)'), n=2.58599, w0=(387,'kJ/mol'), E0=(7.31298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20750872973919235, var=2.20932431394024, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C + Total Standard Deviation in ln(k): 3.5011760394663414"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C +Total Standard Deviation in ln(k): 3.5011760394663414""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C +Total Standard Deviation in ln(k): 3.5011760394663414 +""", +) + +entry( + index = 222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(2.94466,'m^3/(mol*s)'), n=1.59237, w0=(387,'kJ/mol'), E0=(21.4436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9971078869212754, var=21.330170884255644, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.764084554216552"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.764084554216552""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.764084554216552 +""", +) + +entry( + index = 223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_7C-inRing", + kinetics = ArrheniusBM(A=(1.99e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(17.0019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.0636151,'m^3/(mol*s)'), n=2.08324, w0=(387,'kJ/mol'), E0=(-11.8939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_Sp-5C=4R!H_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.000453853,'m^3/(mol*s)'), n=2.5971, w0=(387,'kJ/mol'), E0=(1.17227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3454091103104564, var=2.4900465828046494, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 4.03131027032314"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 4.03131027032314""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 4.03131027032314 +""", +) + +entry( + index = 226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing", + kinetics = ArrheniusBM(A=(83.896,'m^3/(mol*s)'), n=1.10169, w0=(387,'kJ/mol'), E0=(11.6752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5822494678585204, var=6.106933311799096, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing + Total Standard Deviation in ln(k): 6.417081816984501"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing +Total Standard Deviation in ln(k): 6.417081816984501""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing +Total Standard Deviation in ln(k): 6.417081816984501 +""", +) + +entry( + index = 227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0132309,'m^3/(mol*s)'), n=2.11504, w0=(387,'kJ/mol'), E0=(-7.21197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.11464,'m^3/(mol*s)'), n=1.71538, w0=(387,'kJ/mol'), E0=(1.1893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-7C-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.58029e-05,'m^3/(mol*s)'), n=2.76801, w0=(387,'kJ/mol'), E0=(3.72507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.82e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(11.9145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_9R!H->C_N-Sp-9C#7C_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.05267e-07,'m^3/(mol*s)'), n=3.21271, w0=(387,'kJ/mol'), E0=(10.133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25574689385817895, var=0.169876041664198, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C + Total Standard Deviation in ln(k): 1.468852173006458"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 1.468852173006458""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 1.468852173006458 +""", +) + +entry( + index = 232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(6.02e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(17.5133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(1.68257e-07,'m^3/(mol*s)'), n=3.12221, w0=(387,'kJ/mol'), E0=(5.29561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2786241380304964, var=0.13115488704406572, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 1.4260817244289563"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 1.4260817244289563""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 1.4260817244289563 +""", +) + +entry( + index = 234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.47253e-06,'m^3/(mol*s)'), n=2.62201, w0=(387,'kJ/mol'), E0=(3.53365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(4.75e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(12.1155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Ext-7C-R_N-9R!H->C_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(3.1e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(12.082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.00408122,'m^3/(mol*s)'), n=2.33854, w0=(387,'kJ/mol'), E0=(12.2207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07647239180807953, var=2.1262868261472327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 3.115404849003175"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 3.115404849003175""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 3.115404849003175 +""", +) + +entry( + index = 238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.33e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(6.01856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.84e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(4.8421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(8.485e-08,'m^3/(mol*s)'), n=3.74723, w0=(387,'kJ/mol'), E0=(0.099662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01950979818654187, var=3.623831062456947, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 3.86530600587266"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 3.86530600587266""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 3.86530600587266 +""", +) + +entry( + index = 241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(5.51643e-07,'m^3/(mol*s)'), n=3.46895, w0=(387,'kJ/mol'), E0=(0.078786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017599100389327042, var=5.019745678795325, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 4.5357854761021486"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 4.5357854761021486""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 4.5357854761021486 +""", +) + +entry( + index = 242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(7.27099e-05,'m^3/(mol*s)'), n=2.98547, w0=(387,'kJ/mol'), E0=(5.30994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17115799697576953, var=0.7634390498025502, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 2.181682477838672"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.181682477838672""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.181682477838672 +""", +) + +entry( + index = 243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(0.147551,'m^3/(mol*s)'), n=2.08377, w0=(387,'kJ/mol'), E0=(15.0704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3009955514464471, var=1.5899911276487149, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 3.2841379248591003"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 3.2841379248591003""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 3.2841379248591003 +""", +) + +entry( + index = 244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.7e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(2.32537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0681849,'m^3/(mol*s)'), n=2.25593, w0=(387,'kJ/mol'), E0=(15.7842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2975382514912058, var=2.1544058957006036, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.690112560975627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.690112560975627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.690112560975627 +""", +) + +entry( + index = 246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.000152,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(6.30648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(7.46e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(10.1393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_N-Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(0.000195249,'m^3/(mol*s)'), n=2.81667, w0=(387,'kJ/mol'), E0=(3.01641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02305658186672032, var=0.982913259172143, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 2.045465199475482"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 2.045465199475482""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 2.045465199475482 +""", +) + +entry( + index = 249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_Sp-5C#4R!H", + kinetics = ArrheniusBM(A=(1.95e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(14.8842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_Sp-5C#4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_Sp-5C#4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_Sp-5C#4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_Sp-5C#4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H", + kinetics = ArrheniusBM(A=(0.000913524,'m^3/(mol*s)'), n=2.64635, w0=(387,'kJ/mol'), E0=(6.04458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21402638027838986, var=0.7893952257428165, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H + Total Standard Deviation in ln(k): 2.318920070915744"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H +Total Standard Deviation in ln(k): 2.318920070915744""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H +Total Standard Deviation in ln(k): 2.318920070915744 +""", +) + +entry( + index = 251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.193958,'m^3/(mol*s)'), n=1.84337, w0=(387,'kJ/mol'), E0=(1.05073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.83e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(14.5607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C_N-Sp-5C#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.07053e-10,'m^3/(mol*s)'), n=4.0333, w0=(387,'kJ/mol'), E0=(0.22403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19171555094771256, var=0.2639923862609943, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 1.5117340438904239"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 1.5117340438904239""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 1.5117340438904239 +""", +) + +entry( + index = 254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_4R!H-inRing", + kinetics = ArrheniusBM(A=(6.21e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(12.5226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(5.23101e-11,'m^3/(mol*s)'), n=4.44696, w0=(387,'kJ/mol'), E0=(4.37355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2006233192632764, var=1.0276884237271817, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.5363782447238483"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.5363782447238483""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.5363782447238483 +""", +) + +entry( + index = 256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(5.57e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(23.7954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(2.36e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(22.9188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.15e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(12.4866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000439931,'m^3/(mol*s)'), n=2.88622, w0=(387,'kJ/mol'), E0=(19.8407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012522347196153317, var=2.359199300374931, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.110673157606081"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.110673157606081""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.110673157606081 +""", +) + +entry( + index = 260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.000193,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(18.4302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(6.14e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(18.2292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_N-Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-7C-inRing_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.36e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(13.3229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(6.08951e-10,'m^3/(mol*s)'), n=4.53478, w0=(387,'kJ/mol'), E0=(6.31882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06095382506115596, var=0.7820282281687656, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.9259848533833113"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.9259848533833113""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.9259848533833113 +""", +) + +entry( + index = 264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.000122,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(23.3218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(5.99e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(22.8424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.00105868,'m^3/(mol*s)'), n=2.66257, w0=(387,'kJ/mol'), E0=(10.1071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07064989162218306, var=0.23215612293326854, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.1434454174552948"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.1434454174552948""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.1434454174552948 +""", +) + +entry( + index = 267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00550644,'m^3/(mol*s)'), n=2.39491, w0=(387,'kJ/mol'), E0=(6.5787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06302132292293364, var=0.30571752883092446, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 1.2667977172706988"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 1.2667977172706988""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 1.2667977172706988 +""", +) + +entry( + index = 268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(3.9e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(13.8814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.0967445,'m^3/(mol*s)'), n=2.0137, w0=(387,'kJ/mol'), E0=(4.08738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09914330041511236, var=0.030712606789771012, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 0.6004338455221524"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.6004338455221524""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.6004338455221524 +""", +) + +entry( + index = 270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(6.25426,'m^3/(mol*s)'), n=1.40539, w0=(387,'kJ/mol'), E0=(0.332888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0014965,'m^3/(mol*s)'), n=2.62201, w0=(387,'kJ/mol'), E0=(7.84186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0723036,'m^3/(mol*s)'), n=2.03803, w0=(387,'kJ/mol'), E0=(7.19075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.49402e-05,'m^3/(mol*s)'), n=3.33594, w0=(387,'kJ/mol'), E0=(15.0643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1256274039570741, var=0.09206580883322502, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.9239304393130338"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9239304393130338""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9239304393130338 +""", +) + +entry( + index = 274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.000176,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(22.5156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.000107,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(18.2942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-1S-R_N-7R!H->C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.101307,'m^3/(mol*s)'), n=1.92589, w0=(387,'kJ/mol'), E0=(17.4729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17001884032496947, var=1.6888262713565068, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R + Total Standard Deviation in ln(k): 3.032433453552202"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R +Total Standard Deviation in ln(k): 3.032433453552202""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R +Total Standard Deviation in ln(k): 3.032433453552202 +""", +) + +entry( + index = 277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(2.01e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(9.284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_Sp-5C=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_Sp-5C=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_Sp-5C=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.565095,'m^3/(mol*s)'), n=1.67536, w0=(387,'kJ/mol'), E0=(17.6633,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16603856580812998, var=6.333974191352801, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 5.462576880714091"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 5.462576880714091""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 5.462576880714091 +""", +) + +entry( + index = 279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.39e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(5.29899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00141428,'m^3/(mol*s)'), n=2.47456, w0=(387,'kJ/mol'), E0=(1.86898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_Ext-3C-R_N-Sp-5C=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.29e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(13.9581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.010895,'m^3/(mol*s)'), n=2.39539, w0=(387,'kJ/mol'), E0=(21.9989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028976796489286735, var=0.5976291595780688, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.62259611002733"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.62259611002733""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.62259611002733 +""", +) + +entry( + index = 283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(2.24664e-05,'m^3/(mol*s)'), n=3.22206, w0=(387,'kJ/mol'), E0=(13.5062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012520745371743861, var=0.0072864840229880795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_Sp-5C=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_Sp-5C=4R!H + Total Standard Deviation in ln(k): 0.2025851587843616"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.2025851587843616""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.2025851587843616 +""", +) + +entry( + index = 284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(4.27767e-06,'m^3/(mol*s)'), n=3.31408, w0=(387,'kJ/mol'), E0=(14.5645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0906479150663465, var=0.016434852050804808, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_N-Sp-5C=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 0.4847625841835026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.4847625841835026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_Sp-6R!H-3C_N-4R!H-inRing_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.4847625841835026 +""", +) + +entry( + index = 285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C", + kinetics = ArrheniusBM(A=(0.0214364,'m^3/(mol*s)'), n=2.33618, w0=(387,'kJ/mol'), E0=(30.1537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0941453637483209, var=0.25340811114996414, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C + Total Standard Deviation in ln(k): 1.2457229106752186"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C +Total Standard Deviation in ln(k): 1.2457229106752186""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C +Total Standard Deviation in ln(k): 1.2457229106752186 +""", +) + +entry( + index = 286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(0.000513944,'m^3/(mol*s)'), n=2.90857, w0=(387,'kJ/mol'), E0=(31.1026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008704682561018091, var=0.23245530186719682, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H + Total Standard Deviation in ln(k): 0.988426385900773"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.988426385900773""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 0.988426385900773 +""", +) + +entry( + index = 287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.000225954,'m^3/(mol*s)'), n=3.01784, w0=(387,'kJ/mol'), E0=(29.7207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0415438531339524, var=0.32116789036063914, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R + Total Standard Deviation in ln(k): 1.240498515854718"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 1.240498515854718""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 1.240498515854718 +""", +) + +entry( + index = 288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(6.36934e-05,'m^3/(mol*s)'), n=3.17135, w0=(387,'kJ/mol'), E0=(27.0649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04569616655614775, var=0.654830263030771, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 1.7370778527637005"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 1.7370778527637005""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 1.7370778527637005 +""", +) + +entry( + index = 289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.20994e-05,'m^3/(mol*s)'), n=3.37963, w0=(387,'kJ/mol'), E0=(17.9805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1826193137816417, var=0.7246089542148418, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 2.1653524972613876"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.1653524972613876""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.1653524972613876 +""", +) + +entry( + index = 290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(7.25774e-06,'m^3/(mol*s)'), n=3.42499, w0=(387,'kJ/mol'), E0=(10.2178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07657208700921755, var=0.9972226167386731, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 2.194341361266368"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 2.194341361266368""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 2.194341361266368 +""", +) + +entry( + index = 291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", + kinetics = ArrheniusBM(A=(0.000203,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(25.8061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.16e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(24.5241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", + kinetics = ArrheniusBM(A=(0.000163,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(35.4742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.000303114,'m^3/(mol*s)'), n=3.01133, w0=(387,'kJ/mol'), E0=(24.8362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000187,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(28.6249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(1.09424,'m^3/(mol*s)'), n=1.73865, w0=(387,'kJ/mol'), E0=(29.5917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2539078605459734, var=0.413241914037412, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 1.9266812382938177"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 1.9266812382938177""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 1.9266812382938177 +""", +) + +entry( + index = 297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.0322306,'m^3/(mol*s)'), n=2.18403, w0=(387,'kJ/mol'), E0=(13.7704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0855204212637163, var=0.38887380193217036, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R + Total Standard Deviation in ln(k): 1.4650231483212544"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 1.4650231483212544""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 1.4650231483212544 +""", +) + +entry( + index = 298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.0167205,'m^3/(mol*s)'), n=2.26189, w0=(387,'kJ/mol'), E0=(12.7535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0756255839362513, var=0.42362388562096065, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 1.494823827652614"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 1.494823827652614""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 1.494823827652614 +""", +) + +entry( + index = 299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(0.0468317,'m^3/(mol*s)'), n=2.13536, w0=(387,'kJ/mol'), E0=(12.8075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08761500475058809, var=0.39099367487053155, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 1.4736887631713533"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 1.4736887631713533""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 1.4736887631713533 +""", +) + +entry( + index = 300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(0.0404525,'m^3/(mol*s)'), n=2.13536, w0=(387,'kJ/mol'), E0=(10.2257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08761501005245188, var=0.05431858108571518, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 0.6873687299406966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 0.6873687299406966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 0.6873687299406966 +""", +) + +entry( + index = 301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", + kinetics = ArrheniusBM(A=(0.00576436,'m^3/(mol*s)'), n=2.42735, w0=(387,'kJ/mol'), E0=(8.43704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.283883,'m^3/(mol*s)'), n=1.84337, w0=(387,'kJ/mol'), E0=(12.0144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", + kinetics = ArrheniusBM(A=(0.00211224,'m^3/(mol*s)'), n=2.52468, w0=(387,'kJ/mol'), E0=(16.8082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(1.39164,'m^3/(mol*s)'), n=1.74604, w0=(387,'kJ/mol'), E0=(13.9704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.857753,'m^3/(mol*s)'), n=1.79471, w0=(387,'kJ/mol'), E0=(18.8552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Ext-3C-R_N-Sp-6R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(1.42069e-05,'m^3/(mol*s)'), n=3.29307, w0=(387,'kJ/mol'), E0=(19.436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03564460013512935, var=2.2246086238520064, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C + Total Standard Deviation in ln(k): 3.0796461098236523"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C +Total Standard Deviation in ln(k): 3.0796461098236523""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C +Total Standard Deviation in ln(k): 3.0796461098236523 +""", +) + +entry( + index = 307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(2.5258e-07,'m^3/(mol*s)'), n=3.80417, w0=(387,'kJ/mol'), E0=(16.5461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21364154301481209, var=3.132591288945906, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H + Total Standard Deviation in ln(k): 4.084994053245766"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 4.084994053245766""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H +Total Standard Deviation in ln(k): 4.084994053245766 +""", +) + +entry( + index = 308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R", + kinetics = ArrheniusBM(A=(2.58977e-07,'m^3/(mol*s)'), n=3.80184, w0=(387,'kJ/mol'), E0=(16.8999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30648158222697786, var=4.472759410518076, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R + Total Standard Deviation in ln(k): 5.009848251594075"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 5.009848251594075""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 5.009848251594075 +""", +) + +entry( + index = 309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(5.18315e-11,'m^3/(mol*s)'), n=4.85263, w0=(387,'kJ/mol'), E0=(0.191901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14150668940209488, var=5.136060287072367, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 4.898851047265657"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 4.898851047265657""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 4.898851047265657 +""", +) + +entry( + index = 310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.73567e-10,'m^3/(mol*s)'), n=4.61947, w0=(387,'kJ/mol'), E0=(0.426594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39169820276300765, var=6.367964412819623, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 6.043080416195816"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 6.043080416195816""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 6.043080416195816 +""", +) + +entry( + index = 311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(9.36e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(29.7404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(0.000153,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(22.0333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(5.15597e-11,'m^3/(mol*s)'), n=4.91365, w0=(387,'kJ/mol'), E0=(0.435248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16471964371402473, var=5.488339402507624, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + Total Standard Deviation in ln(k): 5.110402440688594"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 5.110402440688594""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 5.110402440688594 +""", +) + +entry( + index = 314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", + kinetics = ArrheniusBM(A=(0.000136,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(29.4244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(0.00017,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(15.7108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.000144,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(27.6439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Sp-5C=4R!H_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H", + kinetics = ArrheniusBM(A=(9.2237e-07,'m^3/(mol*s)'), n=3.65427, w0=(387,'kJ/mol'), E0=(19.9526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05057769055817058, var=3.4572389948234865, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H + Total Standard Deviation in ln(k): 3.854614288440812"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 3.854614288440812""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H +Total Standard Deviation in ln(k): 3.854614288440812 +""", +) + +entry( + index = 318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R", + kinetics = ArrheniusBM(A=(6.58738e-09,'m^3/(mol*s)'), n=4.26852, w0=(387,'kJ/mol'), E0=(2.44685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21542039227138757, var=3.6764716833197504, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R + Total Standard Deviation in ln(k): 4.385161880180646"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 4.385161880180646""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R +Total Standard Deviation in ln(k): 4.385161880180646 +""", +) + +entry( + index = 319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.50848e-09,'m^3/(mol*s)'), n=4.43236, w0=(387,'kJ/mol'), E0=(0.534109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1300391203933564, var=2.2653201095547955, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 3.3440542936755397"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 3.3440542936755397""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 3.3440542936755397 +""", +) + +entry( + index = 320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(0.000182,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(31.0021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(1.67693e-09,'m^3/(mol*s)'), n=4.39829, w0=(387,'kJ/mol'), E0=(1.29259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1268111997388865, var=3.2319342418088266, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 3.9226498596636103"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 3.9226498596636103""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 3.9226498596636103 +""", +) + +entry( + index = 322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R", + kinetics = ArrheniusBM(A=(7.27529e-09,'m^3/(mol*s)'), n=4.1793, w0=(387,'kJ/mol'), E0=(0.831865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5479201109888858, var=8.648961053723262, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R + Total Standard Deviation in ln(k): 7.2724323450005315"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 7.2724323450005315""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 7.2724323450005315 +""", +) + +entry( + index = 323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(3.70743e-08,'m^3/(mol*s)'), n=4.08197, w0=(387,'kJ/mol'), E0=(0.842848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014825969491793147, var=4.576772797288224, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 4.326059790235623"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.326059790235623""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.326059790235623 +""", +) + +entry( + index = 324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C", + kinetics = ArrheniusBM(A=(0.000227,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(19.0639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(8.24e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(26.0099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.08e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(30.5407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.000239,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(28.4852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_N-Sp-5C=4R!H_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R", + kinetics = ArrheniusBM(A=(7.1119e-06,'m^3/(mol*s)'), n=3.34388, w0=(387,'kJ/mol'), E0=(0.189137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07841573204819086, var=4.264566226938333, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R + Total Standard Deviation in ln(k): 4.3369680181766315"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R +Total Standard Deviation in ln(k): 4.3369680181766315""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R +Total Standard Deviation in ln(k): 4.3369680181766315 +""", +) + +entry( + index = 329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.40384e-06,'m^3/(mol*s)'), n=3.53692, w0=(387,'kJ/mol'), E0=(0.462291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013729138832593933, var=4.799957819362996, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 4.426630520179866"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 4.426630520179866""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 4.426630520179866 +""", +) + +entry( + index = 330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(6.74672e-06,'m^3/(mol*s)'), n=3.31549, w0=(387,'kJ/mol'), E0=(0.222437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2591269168879975, var=6.240182273507292, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 5.658972413776158"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.658972413776158""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.658972413776158 +""", +) + +entry( + index = 331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.48e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(19.3791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(0.0253071,'m^3/(mol*s)'), n=2.37869, w0=(387,'kJ/mol'), E0=(7.52072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(7.94401e-07,'m^3/(mol*s)'), n=3.66831, w0=(387,'kJ/mol'), E0=(0.606178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11853817382191012, var=1.9877239518247178, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + Total Standard Deviation in ln(k): 3.124243721817752"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 3.124243721817752""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 3.124243721817752 +""", +) + +entry( + index = 334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", + kinetics = ArrheniusBM(A=(9.43e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(19.7128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(0.000118,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(8.5227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.0237313,'m^3/(mol*s)'), n=2.37869, w0=(387,'kJ/mol'), E0=(11.9871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_Sp-4R!H-3C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_N-Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(1.0632e-05,'m^3/(mol*s)'), n=3.24972, w0=(387,'kJ/mol'), E0=(27.927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_N-Sp-4R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_N-Sp-4R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->C_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.08376e-10,'m^3/(mol*s)'), n=4.80853, w0=(387,'kJ/mol'), E0=(17.4178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6337652294431778, var=17.88585168262138, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C + Total Standard Deviation in ln(k): 10.070733947373174"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C +Total Standard Deviation in ln(k): 10.070733947373174""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C +Total Standard Deviation in ln(k): 10.070733947373174 +""", +) + +entry( + index = 339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.66523e-10,'m^3/(mol*s)'), n=4.71209, w0=(387,'kJ/mol'), E0=(16.2167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7869114903273007, var=20.070127859300975, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 10.958316805570847"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 10.958316805570847""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 10.958316805570847 +""", +) + +entry( + index = 340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S", + kinetics = ArrheniusBM(A=(28876.1,'m^3/(mol*s)'), n=0.590687, w0=(387,'kJ/mol'), E0=(57.4977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14302151693970447, var=8.7852496508961, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S + Total Standard Deviation in ln(k): 6.30136964007865"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S +Total Standard Deviation in ln(k): 6.30136964007865""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S +Total Standard Deviation in ln(k): 6.30136964007865 +""", +) + +entry( + index = 341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.37453e+06,'m^3/(mol*s)'), n=0.0474994, w0=(387,'kJ/mol'), E0=(57.6048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2688436483957634, var=12.570358114351222, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R + Total Standard Deviation in ln(k): 7.783214796386011"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R +Total Standard Deviation in ln(k): 7.783214796386011""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R +Total Standard Deviation in ln(k): 7.783214796386011 +""", +) + +entry( + index = 342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R", + kinetics = ArrheniusBM(A=(3.05813e+07,'m^3/(mol*s)'), n=-0.343472, w0=(387,'kJ/mol'), E0=(60.4171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32410298460775055, var=17.06987335079336, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R + Total Standard Deviation in ln(k): 9.097033062393269"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 9.097033062393269""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 9.097033062393269 +""", +) + +entry( + index = 343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C", + kinetics = ArrheniusBM(A=(5.63648e+09,'m^3/(mol*s)'), n=-1.02565, w0=(387,'kJ/mol'), E0=(65.6523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39291342746547514, var=25.068356890492343, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C + Total Standard Deviation in ln(k): 11.024589444914884"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 11.024589444914884""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 11.024589444914884 +""", +) + +entry( + index = 344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(8.44e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(32.9092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(2.28826e+12,'m^3/(mol*s)'), n=-1.81458, w0=(387,'kJ/mol'), E0=(71.2807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5906977513760396, var=48.30473469693924, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 15.417396289008227"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 15.417396289008227""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 15.417396289008227 +""", +) + +entry( + index = 346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.85541e+14,'m^3/(mol*s)'), n=-2.49833, w0=(387,'kJ/mol'), E0=(76.0764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9427264745600024, var=179.26127264034488, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R + Total Standard Deviation in ln(k): 29.209754352876203"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R +Total Standard Deviation in ln(k): 29.209754352876203""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R +Total Standard Deviation in ln(k): 29.209754352876203 +""", +) + +entry( + index = 347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(826.424,'m^3/(mol*s)'), n=1.0842, w0=(387,'kJ/mol'), E0=(3.67293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.2e-07,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(39.2803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_N-8C-inRing_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.000117,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(34.7978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R", + kinetics = ArrheniusBM(A=(6904.53,'m^3/(mol*s)'), n=0.828187, w0=(387,'kJ/mol'), E0=(59.217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07644807528233472, var=14.568524337403273, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R + Total Standard Deviation in ln(k): 7.8439010510854175"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 7.8439010510854175""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 7.8439010510854175 +""", +) + +entry( + index = 351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(206435,'m^3/(mol*s)'), n=0.382632, w0=(387,'kJ/mol'), E0=(62.5105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10059457543926423, var=21.667348219100923, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 9.584430904298133"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 9.584430904298133""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 9.584430904298133 +""", +) + +entry( + index = 352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(0.000229,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(43.343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(2.33117e+07,'m^3/(mol*s)'), n=-0.242739, w0=(387,'kJ/mol'), E0=(66.6347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19812053327596296, var=40.49099747635406, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 13.25442815591872"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 13.25442815591872""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 13.25442815591872 +""", +) + +entry( + index = 354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(6.90589e+08,'m^3/(mol*s)'), n=-0.79322, w0=(387,'kJ/mol'), E0=(70.4951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3460586208254251, var=135.18285678587966, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 24.178180455125318"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 24.178180455125318""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 24.178180455125318 +""", +) + +entry( + index = 355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.000285,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(17.5917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.12e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(48.794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_7R!H->C_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000233,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(42.5456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_6R!H->S_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(2.35525e-10,'m^3/(mol*s)'), n=4.74875, w0=(387,'kJ/mol'), E0=(14.2063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.304734225591942, var=29.627269510714196, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S + Total Standard Deviation in ln(k): 14.190187656481864"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S +Total Standard Deviation in ln(k): 14.190187656481864""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S +Total Standard Deviation in ln(k): 14.190187656481864 +""", +) + +entry( + index = 359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.69461e-06,'m^3/(mol*s)'), n=3.23773, w0=(387,'kJ/mol'), E0=(64.9015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48110361042006494, var=7.916302918798228, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R + Total Standard Deviation in ln(k): 6.849310677477786"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R +Total Standard Deviation in ln(k): 6.849310677477786""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R +Total Standard Deviation in ln(k): 6.849310677477786 +""", +) + +entry( + index = 360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R", + kinetics = ArrheniusBM(A=(5.84745e-08,'m^3/(mol*s)'), n=3.80175, w0=(387,'kJ/mol'), E0=(58.0488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5166574221816889, var=9.208840986525324, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R + Total Standard Deviation in ln(k): 7.381717768897028"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.381717768897028""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R +Total Standard Deviation in ln(k): 7.381717768897028 +""", +) + +entry( + index = 361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.01728e-22,'m^3/(mol*s)'), n=7.82918, w0=(387,'kJ/mol'), E0=(0.795464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45190899756221503, var=5.461597641862181, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C + Total Standard Deviation in ln(k): 5.820527903313394"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 5.820527903313394""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C +Total Standard Deviation in ln(k): 5.820527903313394 +""", +) + +entry( + index = 362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(3.61003e-21,'m^3/(mol*s)'), n=7.50069, w0=(387,'kJ/mol'), E0=(0.0334173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7650008663702013, var=10.313939614720184, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 8.360384152598607"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 8.360384152598607""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 8.360384152598607 +""", +) + +entry( + index = 363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.1e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(74.6199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C", + kinetics = ArrheniusBM(A=(7.45e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(60.7129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_Sp-9R!H#8C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C", + kinetics = ArrheniusBM(A=(4.02969e-21,'m^3/(mol*s)'), n=7.65885, w0=(387,'kJ/mol'), E0=(6.02788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14959678619484362, var=5.349198715451004, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C + Total Standard Deviation in ln(k): 5.012489731630607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C +Total Standard Deviation in ln(k): 5.012489731630607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C +Total Standard Deviation in ln(k): 5.012489731630607 +""", +) + +entry( + index = 366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing", + kinetics = ArrheniusBM(A=(4.06e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(67.2007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing", + kinetics = ArrheniusBM(A=(5.06e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(54.5236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_8R!H->C_Ext-8C-R_N-Sp-9R!H#8C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(7.72e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(62.6368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Ext-3C-R_Ext-1S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C", + kinetics = ArrheniusBM(A=(168024,'m^3/(mol*s)'), n=0.594479, w0=(387,'kJ/mol'), E0=(44.2066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5483373713146784, var=20.973479580778985, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C + Total Standard Deviation in ln(k): 13.071342379247836"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C +Total Standard Deviation in ln(k): 13.071342379247836""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C +Total Standard Deviation in ln(k): 13.071342379247836 +""", +) + +entry( + index = 370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R", + kinetics = ArrheniusBM(A=(936.246,'m^3/(mol*s)'), n=0.9473, w0=(387,'kJ/mol'), E0=(42.9304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3350030377769696, var=7.617583743333558, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R + Total Standard Deviation in ln(k): 6.37477908488211"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R +Total Standard Deviation in ln(k): 6.37477908488211""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R +Total Standard Deviation in ln(k): 6.37477908488211 +""", +) + +entry( + index = 371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(6259.25,'m^3/(mol*s)'), n=0.689958, w0=(387,'kJ/mol'), E0=(44.4956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3431237968813143, var=10.251663030224059, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 7.280924626570771"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 7.280924626570771""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 7.280924626570771 +""", +) + +entry( + index = 372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(2972.75,'m^3/(mol*s)'), n=0.731678, w0=(387,'kJ/mol'), E0=(44.2685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32400738748574776, var=13.796903567410844, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 8.260513641578386"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 8.260513641578386""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 8.260513641578386 +""", +) + +entry( + index = 373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.69e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(34.904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(0.204581,'m^3/(mol*s)'), n=2.0867, w0=(387,'kJ/mol'), E0=(3.13881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(7.74382e-05,'m^3/(mol*s)'), n=2.9548, w0=(387,'kJ/mol'), E0=(27.1972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01663664963739388, var=1.888957175774194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C + Total Standard Deviation in ln(k): 2.797095255579227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 2.797095255579227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 2.797095255579227 +""", +) + +entry( + index = 376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_7C-inRing", + kinetics = ArrheniusBM(A=(6.58e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(27.5663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(1.68e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(25.0174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(9.18e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(27.745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C", + kinetics = ArrheniusBM(A=(2.7736e-09,'m^3/(mol*s)'), n=4.42327, w0=(387,'kJ/mol'), E0=(57.9903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1136290249632059, var=0.3224101895801302, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C + Total Standard Deviation in ln(k): 1.4238122061458658"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C +Total Standard Deviation in ln(k): 1.4238122061458658""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C +Total Standard Deviation in ln(k): 1.4238122061458658 +""", +) + +entry( + index = 380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R", + kinetics = ArrheniusBM(A=(4.8833e-10,'m^3/(mol*s)'), n=4.64611, w0=(387,'kJ/mol'), E0=(56.0484,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1346791742810136, var=0.4037790822844456, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R + Total Standard Deviation in ln(k): 1.6122709953855627"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R +Total Standard Deviation in ln(k): 1.6122709953855627""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R +Total Standard Deviation in ln(k): 1.6122709953855627 +""", +) + +entry( + index = 381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.3529e-08,'m^3/(mol*s)'), n=4.16019, w0=(387,'kJ/mol'), E0=(60.502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15468467975295042, var=0.5533176142705055, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 1.8798836186611363"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 1.8798836186611363""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 1.8798836186611363 +""", +) + +entry( + index = 382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(6.4324e-10,'m^3/(mol*s)'), n=4.60959, w0=(387,'kJ/mol'), E0=(55.5641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3529732639516574, var=0.9816178670298906, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 2.873091458358254"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.873091458358254""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.873091458358254 +""", +) + +entry( + index = 383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(4.01047e-16,'m^3/(mol*s)'), n=6.36923, w0=(387,'kJ/mol'), E0=(20.3055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07776441849532656, var=4.009567979925335, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 4.209650593032879"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 4.209650593032879""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 4.209650593032879 +""", +) + +entry( + index = 384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", + kinetics = ArrheniusBM(A=(0.000212,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(65.9356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.55e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(71.8808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", + kinetics = ArrheniusBM(A=(0.00017,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(77.3985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.000214,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(73.96,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000195,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(80.1305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-3C-R_N-6R!H->S_N-Sp-6BrCClFINOPSi-3C_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(1.5786e-12,'m^3/(mol*s)'), n=5.22458, w0=(387,'kJ/mol'), E0=(23.8319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35480410032123827, var=6.005767505258631, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 5.804405179627604"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 5.804405179627604""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 5.804405179627604 +""", +) + +entry( + index = 390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(6.66399e-17,'m^3/(mol*s)'), n=6.46656, w0=(387,'kJ/mol'), E0=(0.706518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3227921378635845, var=3.804789828930302, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 4.721445797418879"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 4.721445797418879""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 4.721445797418879 +""", +) + +entry( + index = 391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(8.75e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(47.9325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(4.35709e-17,'m^3/(mol*s)'), n=6.50306, w0=(387,'kJ/mol'), E0=(0.414497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.326250627039215, var=5.439502247975866, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 5.495316793275302"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 5.495316793275302""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 5.495316793275302 +""", +) + +entry( + index = 393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R", + kinetics = ArrheniusBM(A=(3.10939e-16,'m^3/(mol*s)'), n=6.19079, w0=(387,'kJ/mol'), E0=(0.368479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7404699054087959, var=13.012650970385671, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R + Total Standard Deviation in ln(k): 9.092168464267413"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 9.092168464267413""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 9.092168464267413 +""", +) + +entry( + index = 394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.47138e-14,'m^3/(mol*s)'), n=5.80958, w0=(387,'kJ/mol'), E0=(0.630849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05288600214945726, var=9.51540507307001, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 6.316895763506144"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 6.316895763506144""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 6.316895763506144 +""", +) + +entry( + index = 395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C", + kinetics = ArrheniusBM(A=(0.000109,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(34.9842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(3.1e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(44.5622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.38e-06,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(55.3596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(8.95e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(43.1834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0265624,'m^3/(mol*s)'), n=2.48371, w0=(387,'kJ/mol'), E0=(0.841497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.494625362310838, var=3.941611553333594, Tref=1000.0, N=57, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 5.222876528575462"""), + rank = 11, + shortDesc = """BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.222876528575462""", + longDesc = +""" +BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.222876528575462 +""", +) + +entry( + index = 400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C", + kinetics = ArrheniusBM(A=(0.291772,'m^3/(mol*s)'), n=2.27321, w0=(387,'kJ/mol'), E0=(5.18808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8674123709590198, var=2.1411953349110227, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C + Total Standard Deviation in ln(k): 5.112921590790553"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C +Total Standard Deviation in ln(k): 5.112921590790553""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C +Total Standard Deviation in ln(k): 5.112921590790553 +""", +) + +entry( + index = 401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S", + kinetics = ArrheniusBM(A=(6.0195,'m^3/(mol*s)'), n=1.84907, w0=(387,'kJ/mol'), E0=(18.3904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07694749606151599, var=1.4373210839824537, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S + Total Standard Deviation in ln(k): 2.5967787530265607"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S +Total Standard Deviation in ln(k): 2.5967787530265607""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S +Total Standard Deviation in ln(k): 2.5967787530265607 +""", +) + +entry( + index = 402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C", + kinetics = ArrheniusBM(A=(2.08119,'m^3/(mol*s)'), n=2.01992, w0=(387,'kJ/mol'), E0=(13.6786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16097659606964657, var=1.138762287056946, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C + Total Standard Deviation in ln(k): 2.54377285436074"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C +Total Standard Deviation in ln(k): 2.54377285436074""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C +Total Standard Deviation in ln(k): 2.54377285436074 +""", +) + +entry( + index = 403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.39204,'m^3/(mol*s)'), n=2.23269, w0=(387,'kJ/mol'), E0=(4.70763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07759156763823918, var=0.7471183578261752, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 1.927766670922271"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.927766670922271""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.927766670922271 +""", +) + +entry( + index = 404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.117001,'m^3/(mol*s)'), n=2.36652, w0=(387,'kJ/mol'), E0=(3.55195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06571124942809291, var=0.23984164517731707, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 1.1468951844182507"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 1.1468951844182507""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 1.1468951844182507 +""", +) + +entry( + index = 405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(0.428876,'m^3/(mol*s)'), n=2.20025, w0=(387,'kJ/mol'), E0=(3.17391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08146657003705288, var=0.19286319089337708, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 1.0850931776689128"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.0850931776689128""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.0850931776689128 +""", +) + +entry( + index = 406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.121194,'m^3/(mol*s)'), n=2.40302, w0=(387,'kJ/mol'), E0=(3.30693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03912460658614664, var=0.17480482244418527, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 0.9364760844716862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 0.9364760844716862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 0.9364760844716862 +""", +) + +entry( + index = 407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(0.0892911,'m^3/(mol*s)'), n=2.42735, w0=(387,'kJ/mol'), E0=(7.2833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(0.164496,'m^3/(mol*s)'), n=2.37869, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.37073,'m^3/(mol*s)'), n=1.79471, w0=(387,'kJ/mol'), E0=(2.90788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(49.4186,'m^3/(mol*s)'), n=1.69738, w0=(387,'kJ/mol'), E0=(9.33032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0214982,'m^3/(mol*s)'), n=2.51153, w0=(387,'kJ/mol'), E0=(10.2684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15248173937775406, var=2.4220357112215574, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C + Total Standard Deviation in ln(k): 3.5030672643147"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C +Total Standard Deviation in ln(k): 3.5030672643147""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C +Total Standard Deviation in ln(k): 3.5030672643147 +""", +) + +entry( + index = 412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.0123097,'m^3/(mol*s)'), n=2.58308, w0=(387,'kJ/mol'), E0=(1.69257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030617543489690126, var=2.8582708510589403, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 3.466218105878954"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 3.466218105878954""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 3.466218105878954 +""", +) + +entry( + index = 413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.000229564,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(-2.4058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007685514122454277, var=1.1016835398903948, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 2.1235026018905647"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 2.1235026018905647""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 2.1235026018905647 +""", +) + +entry( + index = 414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(0.00136741,'m^3/(mol*s)'), n=2.914, w0=(387,'kJ/mol'), E0=(10.2822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(0.000187251,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(-2.78933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030742110891298875, var=1.736401652876749, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 2.718932898906791"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.718932898906791""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.718932898906791 +""", +) + +entry( + index = 416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R", + kinetics = ArrheniusBM(A=(0.0221784,'m^3/(mol*s)'), n=2.42735, w0=(387,'kJ/mol'), E0=(2.8629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05994711156296809, var=6.0688260830786005, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R + Total Standard Deviation in ln(k): 5.089283237240164"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 5.089283237240164""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 5.089283237240164 +""", +) + +entry( + index = 417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.00251896,'m^3/(mol*s)'), n=2.86534, w0=(387,'kJ/mol'), E0=(2.32944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.195272,'m^3/(mol*s)'), n=1.98937, w0=(387,'kJ/mol'), E0=(3.39636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(12.6186,'m^3/(mol*s)'), n=1.79471, w0=(387,'kJ/mol'), E0=(8.982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_4R!H->S_N-5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S", + kinetics = ArrheniusBM(A=(2.43845,'m^3/(mol*s)'), n=2.02159, w0=(387,'kJ/mol'), E0=(7.51982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18245679779262772, var=0.6131207812927556, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S + Total Standard Deviation in ln(k): 2.028182415611883"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S +Total Standard Deviation in ln(k): 2.028182415611883""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S +Total Standard Deviation in ln(k): 2.028182415611883 +""", +) + +entry( + index = 421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C", + kinetics = ArrheniusBM(A=(5269.11,'m^3/(mol*s)'), n=0.925687, w0=(387,'kJ/mol'), E0=(6.55192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2022391524281519, var=1.0912621455900782, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C + Total Standard Deviation in ln(k): 2.602354869447686"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C +Total Standard Deviation in ln(k): 2.602354869447686""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C +Total Standard Deviation in ln(k): 2.602354869447686 +""", +) + +entry( + index = 422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C", + kinetics = ArrheniusBM(A=(4475.93,'m^3/(mol*s)'), n=0.925687, w0=(387,'kJ/mol'), E0=(8.0796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20223915889388858, var=0.7933365197151999, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C + Total Standard Deviation in ln(k): 2.2937449033205772"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C +Total Standard Deviation in ln(k): 2.2937449033205772""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C +Total Standard Deviation in ln(k): 2.2937449033205772 +""", +) + +entry( + index = 423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(12208,'m^3/(mol*s)'), n=0.805183, w0=(387,'kJ/mol'), E0=(8.36434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21365764896120712, var=0.694659825545891, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 2.207699877361797"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 2.207699877361797""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 2.207699877361797 +""", +) + +entry( + index = 424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(5566.03,'m^3/(mol*s)'), n=0.889536, w0=(387,'kJ/mol'), E0=(7.40317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20566470117145008, var=0.49376695493939216, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 1.925443811936766"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 1.925443811936766""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 1.925443811936766 +""", +) + +entry( + index = 425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(20600,'m^3/(mol*s)'), n=0.724074, w0=(387,'kJ/mol'), E0=(7.12248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22134318405334805, var=0.47306109101909616, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 1.9349841465836075"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.9349841465836075""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.9349841465836075 +""", +) + +entry( + index = 426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(67338,'m^3/(mol*s)'), n=0.480749, w0=(387,'kJ/mol'), E0=(6.74775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(1.71194e+06,'m^3/(mol*s)'), n=0.188758, w0=(387,'kJ/mol'), E0=(7.03017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(1249.86,'m^3/(mol*s)'), n=1.1134, w0=(387,'kJ/mol'), E0=(7.35599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1844526588257327, var=0.2098798321525188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + Total Standard Deviation in ln(k): 1.381871029382197"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 1.381871029382197""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 1.381871029382197 +""", +) + +entry( + index = 429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", + kinetics = ArrheniusBM(A=(757.744,'m^3/(mol*s)'), n=1.16206, w0=(387,'kJ/mol'), E0=(11.5416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(2061.59,'m^3/(mol*s)'), n=1.06473, w0=(387,'kJ/mol'), E0=(3.17043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(619641,'m^3/(mol*s)'), n=0.383418, w0=(387,'kJ/mol'), E0=(13.1702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(6202.84,'m^3/(mol*s)'), n=0.925687, w0=(387,'kJ/mol'), E0=(5.02424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20223915683515872, var=1.9133985269382277, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C + Total Standard Deviation in ln(k): 3.281201398658603"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C +Total Standard Deviation in ln(k): 3.281201398658603""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C +Total Standard Deviation in ln(k): 3.281201398658603 +""", +) + +entry( + index = 433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(26645.1,'m^3/(mol*s)'), n=0.748407, w0=(387,'kJ/mol'), E0=(4.82084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2190375108055577, var=1.853265015386259, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 3.2794851174257307"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 3.2794851174257307""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 3.2794851174257307 +""", +) + +entry( + index = 434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(8430.29,'m^3/(mol*s)'), n=0.879803, w0=(387,'kJ/mol'), E0=(4.26412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20658697253812197, var=1.8805239943657974, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 3.2682000365190036"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 3.2682000365190036""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 3.2682000365190036 +""", +) + +entry( + index = 435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(37229.2,'m^3/(mol*s)'), n=0.687575, w0=(387,'kJ/mol'), E0=(3.75331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22480165391904663, var=2.6118285866726048, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 3.8047112599267963"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 3.8047112599267963""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 3.8047112599267963 +""", +) + +entry( + index = 436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(24527.6,'m^3/(mol*s)'), n=0.821404, w0=(387,'kJ/mol'), E0=(4.33149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21212053853631774, var=1.3718188129248396, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 2.8810055044510197"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 2.8810055044510197""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 2.8810055044510197 +""", +) + +entry( + index = 437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C#6C", + kinetics = ArrheniusBM(A=(9.66694e+06,'m^3/(mol*s)'), n=0.0914273, w0=(387,'kJ/mol'), E0=(3.138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C#6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C#6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C#6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C#6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C", + kinetics = ArrheniusBM(A=(1235.49,'m^3/(mol*s)'), n=1.18639, w0=(387,'kJ/mol'), E0=(4.92823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17753566853061004, var=0.1466204056022202, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C + Total Standard Deviation in ln(k): 1.2137035109063539"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C +Total Standard Deviation in ln(k): 1.2137035109063539""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C +Total Standard Deviation in ln(k): 1.2137035109063539 +""", +) + +entry( + index = 439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_6C-inRing", + kinetics = ArrheniusBM(A=(911.06,'m^3/(mol*s)'), n=1.21073, w0=(387,'kJ/mol'), E0=(8.9046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(1675.45,'m^3/(mol*s)'), n=1.16206, w0=(387,'kJ/mol'), E0=(0.95186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(130186,'m^3/(mol*s)'), n=0.286088, w0=(387,'kJ/mol'), E0=(2.01878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(8.40401e+06,'m^3/(mol*s)'), n=0.0914276, w0=(387,'kJ/mol'), E0=(7.60442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_4CO->C_N-5R!H->C_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_N-4CO->C", + kinetics = ArrheniusBM(A=(0.000353149,'m^3/(mol*s)'), n=3.18427, w0=(387,'kJ/mol'), E0=(0.319543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_N-4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_N-4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_Sp-4R!H=3C_N-4R!H->S_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C", + kinetics = ArrheniusBM(A=(373.068,'m^3/(mol*s)'), n=1.18362, w0=(387,'kJ/mol'), E0=(23.7357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0024867081038291872, var=1.7747880013623967, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C + Total Standard Deviation in ln(k): 2.676979526595613"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C +Total Standard Deviation in ln(k): 2.676979526595613""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C +Total Standard Deviation in ln(k): 2.676979526595613 +""", +) + +entry( + index = 445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R", + kinetics = ArrheniusBM(A=(15896.2,'m^3/(mol*s)'), n=0.770024, w0=(387,'kJ/mol'), E0=(28.7481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06318547191420783, var=1.6629237132291956, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R + Total Standard Deviation in ln(k): 2.74395154633261"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R +Total Standard Deviation in ln(k): 2.74395154633261""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R +Total Standard Deviation in ln(k): 2.74395154633261 +""", +) + +entry( + index = 446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S", + kinetics = ArrheniusBM(A=(0.000841904,'m^3/(mol*s)'), n=2.86433, w0=(387,'kJ/mol'), E0=(11.4971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5358971657738738, var=2.271073321705001, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S + Total Standard Deviation in ln(k): 4.367627229842798"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S +Total Standard Deviation in ln(k): 4.367627229842798""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S +Total Standard Deviation in ln(k): 4.367627229842798 +""", +) + +entry( + index = 447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_5R!H->O", + kinetics = ArrheniusBM(A=(0.00403762,'m^3/(mol*s)'), n=2.78991, w0=(387,'kJ/mol'), E0=(19.5529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O", + kinetics = ArrheniusBM(A=(454607,'m^3/(mol*s)'), n=0.0866031, w0=(387,'kJ/mol'), E0=(24.644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2348663543691614, var=3.5004505148344185, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O + Total Standard Deviation in ln(k): 4.3408737463615035"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O +Total Standard Deviation in ln(k): 4.3408737463615035""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O +Total Standard Deviation in ln(k): 4.3408737463615035 +""", +) + +entry( + index = 449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R", + kinetics = ArrheniusBM(A=(462.983,'m^3/(mol*s)'), n=0.943067, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20059225654374105, var=3.4513585309432, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R + Total Standard Deviation in ln(k): 4.228363852645208"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R +Total Standard Deviation in ln(k): 4.228363852645208""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R +Total Standard Deviation in ln(k): 4.228363852645208 +""", +) + +entry( + index = 450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(116.182,'m^3/(mol*s)'), n=1.0842, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18721943890101908, var=2.841472572445042, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 3.8497159700428685"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 3.8497159700428685""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 3.8497159700428685 +""", +) + +entry( + index = 451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(929.985,'m^3/(mol*s)'), n=0.809238, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21327336809528596, var=4.008948897192741, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 4.549815425013476"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 4.549815425013476""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 4.549815425013476 +""", +) + +entry( + index = 452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(781.683,'m^3/(mol*s)'), n=0.529414, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H#7C", + kinetics = ArrheniusBM(A=(1.55135e+06,'m^3/(mol*s)'), n=-0.0545676, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H#7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H#7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H#7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_Sp-8R!H#7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C", + kinetics = ArrheniusBM(A=(24.836,'m^3/(mol*s)'), n=1.38105, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1590904131388609, var=0.14994908735699392, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C + Total Standard Deviation in ln(k): 1.1760234346695426"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C +Total Standard Deviation in ln(k): 1.1760234346695426""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C +Total Standard Deviation in ln(k): 1.1760234346695426 +""", +) + +entry( + index = 455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_7C-inRing", + kinetics = ArrheniusBM(A=(18.2863,'m^3/(mol*s)'), n=1.40539, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(33.7317,'m^3/(mol*s)'), n=1.35672, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_7R!H->C_Ext-7C-R_N-Sp-8R!H#7C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(465253,'m^3/(mol*s)'), n=0.237423, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_4R!H->S_N-5R!H->O_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S", + kinetics = ArrheniusBM(A=(57662.3,'m^3/(mol*s)'), n=0.578079, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2351771306762905, var=1.6755342383930412, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S + Total Standard Deviation in ln(k): 3.1858750892381624"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S +Total Standard Deviation in ln(k): 3.1858750892381624""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S +Total Standard Deviation in ln(k): 3.1858750892381624 +""", +) + +entry( + index = 459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R", + kinetics = ArrheniusBM(A=(211367,'m^3/(mol*s)'), n=0.415862, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25054818051069483, var=1.7995232505420888, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R + Total Standard Deviation in ln(k): 3.3187961744891634"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 3.3187961744891634""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 3.3187961744891634 +""", +) + +entry( + index = 460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C", + kinetics = ArrheniusBM(A=(76450.5,'m^3/(mol*s)'), n=0.509948, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24163297121002578, var=0.9280302345885553, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C + Total Standard Deviation in ln(k): 2.5383660409290147"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 2.5383660409290147""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C +Total Standard Deviation in ln(k): 2.5383660409290147 +""", +) + +entry( + index = 461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(513376,'m^3/(mol*s)'), n=0.261756, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26515069078415154, var=1.0621935981280408, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 2.7323434059371103"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.7323434059371103""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.7323434059371103 +""", +) + +entry( + index = 462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(402210,'m^3/(mol*s)'), n=0.140093, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing", + kinetics = ArrheniusBM(A=(15195.9,'m^3/(mol*s)'), n=0.772739, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(3.37118e+06,'m^3/(mol*s)'), n=0.0670947, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2835959591765234, var=0.22653212177453555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing + Total Standard Deviation in ln(k): 1.6667141542248898"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 1.6667141542248898""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 1.6667141542248898 +""", +) + +entry( + index = 465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(41423,'m^3/(mol*s)'), n=0.675409, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_Sp-8R!H=7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_Sp-8R!H=7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_N-Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(2.7436e+08,'m^3/(mol*s)'), n=-0.541219, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_N-Sp-8R!H=7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_N-Sp-8R!H=7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_7R!H->C_Ext-7C-R_N-7C-inRing_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.41445e+07,'m^3/(mol*s)'), n=-0.0545677, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_Ext-3C-R_N-4R!H->S_Ext-1S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S", + kinetics = ArrheniusBM(A=(1.02385,'m^3/(mol*s)'), n=1.86423, w0=(387,'kJ/mol'), E0=(1.26312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11330663696461961, var=2.4643587637207123, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S + Total Standard Deviation in ln(k): 3.4317785425019047"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S +Total Standard Deviation in ln(k): 3.4317785425019047""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S +Total Standard Deviation in ln(k): 3.4317785425019047 +""", +) + +entry( + index = 469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R", + kinetics = ArrheniusBM(A=(4.82139,'m^3/(mol*s)'), n=1.67304, w0=(387,'kJ/mol'), E0=(0.94018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13142250954085605, var=2.581033401544946, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R + Total Standard Deviation in ln(k): 3.5509334780678654"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 3.5509334780678654""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 3.5509334780678654 +""", +) + +entry( + index = 470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.30649,'m^3/(mol*s)'), n=1.81417, w0=(387,'kJ/mol'), E0=(0.467144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1180497087597874, var=2.305007778472816, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 3.340246635838122"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 3.340246635838122""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 3.340246635838122 +""", +) + +entry( + index = 471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(7.32653,'m^3/(mol*s)'), n=1.58788, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1394923040294787, var=3.2523983747626537, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 3.9659040163290307"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 3.9659040163290307""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 3.9659040163290307 +""", +) + +entry( + index = 472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(11.3797,'m^3/(mol*s)'), n=1.25939, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(4372.72,'m^3/(mol*s)'), n=0.870069, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(0.240633,'m^3/(mol*s)'), n=2.11103, w0=(387,'kJ/mol'), E0=(1.04757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08992067474601505, var=0.15000356927087125, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + Total Standard Deviation in ln(k): 1.0023711379950988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 1.0023711379950988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 1.0023711379950988 +""", +) + +entry( + index = 475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", + kinetics = ArrheniusBM(A=(0.177169,'m^3/(mol*s)'), n=2.13536, w0=(387,'kJ/mol'), E0=(5.02394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(0.326831,'m^3/(mol*s)'), n=2.0867, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(3299.92,'m^3/(mol*s)'), n=0.9674, w0=(387,'kJ/mol'), E0=(3.30536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_4R!H->S_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S", + kinetics = ArrheniusBM(A=(3.51173,'m^3/(mol*s)'), n=1.61101, w0=(387,'kJ/mol'), E0=(3.92004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12834996678366362, var=1.618914524710114, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S + Total Standard Deviation in ln(k): 2.873243543317635"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S +Total Standard Deviation in ln(k): 2.873243543317635""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S +Total Standard Deviation in ln(k): 2.873243543317635 +""", +) + +entry( + index = 479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R", + kinetics = ArrheniusBM(A=(25.4602,'m^3/(mol*s)'), n=1.38916, w0=(387,'kJ/mol'), E0=(3.51194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15832185848338332, var=1.0952510296621045, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R + Total Standard Deviation in ln(k): 2.4958339067412525"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 2.4958339067412525""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R +Total Standard Deviation in ln(k): 2.4958339067412525 +""", +) + +entry( + index = 480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C", + kinetics = ArrheniusBM(A=(10.7521,'m^3/(mol*s)'), n=1.47352, w0=(387,'kJ/mol'), E0=(2.55078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15032890626484627, var=0.6163607803080143, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C + Total Standard Deviation in ln(k): 1.951601224020712"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 1.951601224020712""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C +Total Standard Deviation in ln(k): 1.951601224020712 +""", +) + +entry( + index = 481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(51.5123,'m^3/(mol*s)'), n=1.27156, w0=(387,'kJ/mol'), E0=(1.95628,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16946587118855486, var=0.6466814950381057, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 2.0379316139596426"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.0379316139596426""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.0379316139596426 +""", +) + +entry( + index = 482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(100.319,'m^3/(mol*s)'), n=1.06473, w0=(387,'kJ/mol'), E0=(1.89535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(8922.98,'m^3/(mol*s)'), n=0.626744, w0=(387,'kJ/mol'), E0=(0.922572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(2.80464,'m^3/(mol*s)'), n=1.69738, w0=(387,'kJ/mol'), E0=(2.5036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12911685536113182, var=0.21035223051004737, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + Total Standard Deviation in ln(k): 1.2438693604523867"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 1.2438693604523867""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 1.2438693604523867 +""", +) + +entry( + index = 485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", + kinetics = ArrheniusBM(A=(1.70003,'m^3/(mol*s)'), n=1.74604, w0=(387,'kJ/mol'), E0=(6.68917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(4.62697,'m^3/(mol*s)'), n=1.64871, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1895.44,'m^3/(mol*s)'), n=0.9674, w0=(387,'kJ/mol'), E0=(8.31779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Ext-3C-R_N-Sp-4R!H=3C_N-4R!H->S_Ext-1S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(0.823633,'m^3/(mol*s)'), n=1.77463, w0=(387,'kJ/mol'), E0=(25.575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2513848302967002, var=0.8876228012647847, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C + Total Standard Deviation in ln(k): 2.5203559858517157"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C +Total Standard Deviation in ln(k): 2.5203559858517157""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C +Total Standard Deviation in ln(k): 2.5203559858517157 +""", +) + +entry( + index = 489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C", + kinetics = ArrheniusBM(A=(0.0142495,'m^3/(mol*s)'), n=2.24789, w0=(387,'kJ/mol'), E0=(10.798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04088529053603957, var=0.8113978727090013, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C + Total Standard Deviation in ln(k): 1.9085446283187872"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C +Total Standard Deviation in ln(k): 1.9085446283187872""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C +Total Standard Deviation in ln(k): 1.9085446283187872 +""", +) + +entry( + index = 490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.1017,'m^3/(mol*s)'), n=2.00559, w0=(387,'kJ/mol'), E0=(11.4371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09991185722733442, var=0.6614437748999565, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 1.8814696915563174"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.8814696915563174""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.8814696915563174 +""", +) + +entry( + index = 491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.0476088,'m^3/(mol*s)'), n=2.0867, w0=(387,'kJ/mol'), E0=(10.4481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09222632437146012, var=0.4655148442568757, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C + Total Standard Deviation in ln(k): 1.5995280774740221"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 1.5995280774740221""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 1.5995280774740221 +""", +) + +entry( + index = 492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.166093,'m^3/(mol*s)'), n=1.92854, w0=(387,'kJ/mol'), E0=(10.2301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1072131034258399, var=0.4586434281277736, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.6270507673355052"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.6270507673355052""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.6270507673355052 +""", +) + +entry( + index = 493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.492476,'m^3/(mol*s)'), n=1.69738, w0=(387,'kJ/mol'), E0=(9.96001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C", + kinetics = ArrheniusBM(A=(12.5085,'m^3/(mol*s)'), n=1.40539, w0=(387,'kJ/mol'), E0=(10.2424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C", + kinetics = ArrheniusBM(A=(0.011115,'m^3/(mol*s)'), n=2.30569, w0=(387,'kJ/mol'), E0=(10.3591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0697487298003269, var=0.15019972530176426, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C + Total Standard Deviation in ln(k): 0.9521953591276541"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C +Total Standard Deviation in ln(k): 0.9521953591276541""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C +Total Standard Deviation in ln(k): 0.9521953591276541 +""", +) + +entry( + index = 496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing", + kinetics = ArrheniusBM(A=(0.00818986,'m^3/(mol*s)'), n=2.33002, w0=(387,'kJ/mol'), E0=(14.3354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing", + kinetics = ArrheniusBM(A=(0.0150848,'m^3/(mol*s)'), n=2.28136, w0=(387,'kJ/mol'), E0=(6.38269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(4.52359,'m^3/(mol*s)'), n=1.60005, w0=(387,'kJ/mol'), E0=(16.3825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C", + kinetics = ArrheniusBM(A=(1.8718,'m^3/(mol*s)'), n=1.70855, w0=(387,'kJ/mol'), E0=(26.0403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16795595110766423, var=1.6484021480390227, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C + Total Standard Deviation in ln(k): 2.995881536808655"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C +Total Standard Deviation in ln(k): 2.995881536808655""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C +Total Standard Deviation in ln(k): 2.995881536808655 +""", +) + +entry( + index = 500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(1.12542,'m^3/(mol*s)'), n=1.77594, w0=(387,'kJ/mol'), E0=(25.0232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0709475419136623, var=2.6350483345291673, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 3.4325129191975186"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 3.4325129191975186""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 3.4325129191975186 +""", +) + +entry( + index = 501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.00168677,'m^3/(mol*s)'), n=2.57335, w0=(387,'kJ/mol'), E0=(2.09199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.054533008995433764, var=2.798340273230453, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C + Total Standard Deviation in ln(k): 3.4905866444910645"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 3.4905866444910645""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 3.4905866444910645 +""", +) + +entry( + index = 502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.18089e-05,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(-5.8576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14602064172214568, var=3.2369226329361807, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.9736950706472594"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.9736950706472594""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.9736950706472594 +""", +) + +entry( + index = 503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.0917909,'m^3/(mol*s)'), n=2.15045, w0=(387,'kJ/mol'), E0=(19.5813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04121326103295639, var=1.3223452089312113, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C + Total Standard Deviation in ln(k): 2.4088613225708215"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C +Total Standard Deviation in ln(k): 2.4088613225708215""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C +Total Standard Deviation in ln(k): 2.4088613225708215 +""", +) + +entry( + index = 504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C#5C", + kinetics = ArrheniusBM(A=(1.7859,'m^3/(mol*s)'), n=1.79471, w0=(387,'kJ/mol'), E0=(7.87638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C#5C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C#5C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C#5C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C#5C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C", + kinetics = ArrheniusBM(A=(0.00027794,'m^3/(mol*s)'), n=2.86534, w0=(387,'kJ/mol'), E0=(1.84236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07421811697292473, var=0.348781468557962, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C + Total Standard Deviation in ln(k): 1.3704285764548587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C +Total Standard Deviation in ln(k): 1.3704285764548587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C +Total Standard Deviation in ln(k): 1.3704285764548587 +""", +) + +entry( + index = 506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_5C-inRing", + kinetics = ArrheniusBM(A=(0.000168421,'m^3/(mol*s)'), n=2.914, w0=(387,'kJ/mol'), E0=(13.643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_N-5C-inRing", + kinetics = ArrheniusBM(A=(0.000458678,'m^3/(mol*s)'), n=2.81667, w0=(387,'kJ/mol'), E0=(5.27184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_N-5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_N-5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_N-5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C#5C_N-5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.024109,'m^3/(mol*s)'), n=1.98937, w0=(387,'kJ/mol'), E0=(6.75716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.29755,'m^3/(mol*s)'), n=1.74604, w0=(387,'kJ/mol'), E0=(11.9244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(0.172473,'m^3/(mol*s)'), n=2.25851, w0=(387,'kJ/mol'), E0=(10.9522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0993513635513676, var=11.512273873616216, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C + Total Standard Deviation in ln(k): 7.051640922765591"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 7.051640922765591""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 7.051640922765591 +""", +) + +entry( + index = 511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C", + kinetics = ArrheniusBM(A=(6.22518,'m^3/(mol*s)'), n=1.70563, w0=(387,'kJ/mol'), E0=(16.5555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13000107054978935, var=22.410394969380683, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C + Total Standard Deviation in ln(k): 9.81697526783911"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C +Total Standard Deviation in ln(k): 9.81697526783911""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C +Total Standard Deviation in ln(k): 9.81697526783911 +""", +) + +entry( + index = 512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(170.687,'m^3/(mol*s)'), n=1.46216, w0=(387,'kJ/mol'), E0=(16.9248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1514048769013054, var=0.4198180247253765, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 1.6793495949013146"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.6793495949013146""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.6793495949013146 +""", +) + +entry( + index = 513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C", + kinetics = ArrheniusBM(A=(87.395,'m^3/(mol*s)'), n=1.54165, w0=(387,'kJ/mol'), E0=(15.9218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14387306648342618, var=0.4188060770220924, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C + Total Standard Deviation in ln(k): 1.6588589983652038"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 1.6588589983652038""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 1.6588589983652038 +""", +) + +entry( + index = 514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(239.937,'m^3/(mol*s)'), n=1.41755, w0=(387,'kJ/mol'), E0=(15.9967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15563191486768851, var=0.3940590734348228, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.6494898597658818"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.6494898597658818""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.6494898597658818 +""", +) + +entry( + index = 515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C", + kinetics = ArrheniusBM(A=(7852.05,'m^3/(mol*s)'), n=1.01606, w0=(387,'kJ/mol'), E0=(17.055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_Sp-6R!H#5C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C", + kinetics = ArrheniusBM(A=(75.0129,'m^3/(mol*s)'), n=1.55138, w0=(387,'kJ/mol'), E0=(15.644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14295081445950364, var=0.041922313269604536, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C + Total Standard Deviation in ln(k): 0.7696411876223173"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C +Total Standard Deviation in ln(k): 0.7696411876223173""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C +Total Standard Deviation in ln(k): 0.7696411876223173 +""", +) + +entry( + index = 517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing", + kinetics = ArrheniusBM(A=(11.9408,'m^3/(mol*s)'), n=1.79471, w0=(387,'kJ/mol'), E0=(19.8928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing", + kinetics = ArrheniusBM(A=(188.013,'m^3/(mol*s)'), n=1.42972, w0=(387,'kJ/mol'), E0=(13.5196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15447910133539502, var=0.024319573324717896, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing + Total Standard Deviation in ln(k): 0.7007715513221577"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 0.7007715513221577""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 0.7007715513221577 +""", +) + +entry( + index = 519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_6R!H->C", + kinetics = ArrheniusBM(A=(22.0118,'m^3/(mol*s)'), n=1.74604, w0=(387,'kJ/mol'), E0=(11.9401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_N-6R!H->C", + kinetics = ArrheniusBM(A=(1605.91,'m^3/(mol*s)'), n=1.1134, w0=(387,'kJ/mol'), E0=(15.099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-Sp-6R!H#5C_N-5C-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(4850.26,'m^3/(mol*s)'), n=1.06473, w0=(387,'kJ/mol'), E0=(21.9398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.050778,'m^3/(mol*s)'), n=2.55286, w0=(387,'kJ/mol'), E0=(21.3234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0557972458366863, var=0.3933403833134382, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C + Total Standard Deviation in ln(k): 1.397500865779096"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C +Total Standard Deviation in ln(k): 1.397500865779096""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C +Total Standard Deviation in ln(k): 1.397500865779096 +""", +) + +entry( + index = 523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R", + kinetics = ArrheniusBM(A=(0.00735605,'m^3/(mol*s)'), n=2.80051, w0=(387,'kJ/mol'), E0=(16.0787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018165434234318163, var=0.5799807922852991, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R + Total Standard Deviation in ln(k): 1.5723772623526877"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.5723772623526877""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R +Total Standard Deviation in ln(k): 1.5723772623526877 +""", +) + +entry( + index = 524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.000938182,'m^3/(mol*s)'), n=3.051, w0=(387,'kJ/mol'), E0=(8.10599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0638483171773511, var=0.19679293592693214, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C + Total Standard Deviation in ln(k): 1.0497504484479987"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 1.0497504484479987""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C +Total Standard Deviation in ln(k): 1.0497504484479987 +""", +) + +entry( + index = 525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00273667,'m^3/(mol*s)'), n=2.914, w0=(387,'kJ/mol'), E0=(7.68906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05853977529555915, var=0.10137259910294617, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 0.7853737451840832"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.7853737451840832""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.7853737451840832 +""", +) + +entry( + index = 526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_5C-inRing", + kinetics = ArrheniusBM(A=(0.000953,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(20.141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing", + kinetics = ArrheniusBM(A=(0.00685708,'m^3/(mol*s)'), n=2.79234, w0=(387,'kJ/mol'), E0=(6.96875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014643687704322068, var=0.06547523265682784, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing + Total Standard Deviation in ln(k): 0.5497673753960165"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing +Total Standard Deviation in ln(k): 0.5497673753960165""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing +Total Standard Deviation in ln(k): 0.5497673753960165 +""", +) + +entry( + index = 528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_6R!H->C", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=3.06, w0=(387,'kJ/mol'), E0=(11.0752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.0584231,'m^3/(mol*s)'), n=2.47602, w0=(387,'kJ/mol'), E0=(12.688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_5R!H->C_Ext-5C-R_N-5C-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.177613,'m^3/(mol*s)'), n=2.42735, w0=(387,'kJ/mol'), E0=(19.5288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C_Ext-1S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R", + kinetics = ArrheniusBM(A=(309.07,'m^3/(mol*s)'), n=1.15244, w0=(387,'kJ/mol'), E0=(41.6678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.484586661329364, var=3.8450626917522794, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R + Total Standard Deviation in ln(k): 7.6611684544915"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R +Total Standard Deviation in ln(k): 7.6611684544915""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R +Total Standard Deviation in ln(k): 7.6611684544915 +""", +) + +entry( + index = 532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C", + kinetics = ArrheniusBM(A=(35.6236,'m^3/(mol*s)'), n=1.41521, w0=(387,'kJ/mol'), E0=(38.7561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5642822871411288, var=4.44901728738546, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C + Total Standard Deviation in ln(k): 8.158883804872925"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C +Total Standard Deviation in ln(k): 8.158883804872925""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C +Total Standard Deviation in ln(k): 8.158883804872925 +""", +) + +entry( + index = 533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(31.5263,'m^3/(mol*s)'), n=1.42483, w0=(387,'kJ/mol'), E0=(38.514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0172421341573976, var=6.22489540175817, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 10.07020952492657"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 10.07020952492657""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 10.07020952492657 +""", +) + +entry( + index = 534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_5R!H->O", + kinetics = ArrheniusBM(A=(3.72264e-05,'m^3/(mol*s)'), n=3.09635, w0=(387,'kJ/mol'), E0=(11.4401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(0.0192086,'m^3/(mol*s)'), n=2.55685, w0=(387,'kJ/mol'), E0=(21.1976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09382417380818706, var=0.47142924725364954, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O + Total Standard Deviation in ln(k): 1.61220437666189"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O +Total Standard Deviation in ln(k): 1.61220437666189""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O +Total Standard Deviation in ln(k): 1.61220437666189 +""", +) + +entry( + index = 536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", + kinetics = ArrheniusBM(A=(0.499827,'m^3/(mol*s)'), n=2.18403, w0=(387,'kJ/mol'), E0=(21.1365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", + kinetics = ArrheniusBM(A=(0.00476799,'m^3/(mol*s)'), n=2.71934, w0=(387,'kJ/mol'), E0=(12.3329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011032908123237966, var=0.05513714304498689, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + Total Standard Deviation in ln(k): 0.49845872419644194"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 0.49845872419644194""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 0.49845872419644194 +""", +) + +entry( + index = 538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_4C-inRing", + kinetics = ArrheniusBM(A=(0.000760824,'m^3/(mol*s)'), n=2.96267, w0=(387,'kJ/mol'), E0=(23.9743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.011936,'m^3/(mol*s)'), n=2.59768, w0=(387,'kJ/mol'), E0=(7.52843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040444196598010386, var=0.027351455088103205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing + Total Standard Deviation in ln(k): 0.4331671911476692"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing +Total Standard Deviation in ln(k): 0.4331671911476692""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing +Total Standard Deviation in ln(k): 0.4331671911476692 +""", +) + +entry( + index = 540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_5BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(0.00139973,'m^3/(mol*s)'), n=2.914, w0=(387,'kJ/mol'), E0=(16.0216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_5BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_5BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_5BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_5BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_N-5BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(0.101783,'m^3/(mol*s)'), n=2.28136, w0=(387,'kJ/mol'), E0=(19.1805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_N-5BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_N-5BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_N-5BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_4R!H->C_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-4C-inRing_N-5BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.308712,'m^3/(mol*s)'), n=2.23269, w0=(387,'kJ/mol'), E0=(26.0213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_1S-u0_N-3C-inRing_Ext-1S-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0", + kinetics = ArrheniusBM(A=(4.37576e+12,'m^3/(mol*s)'), n=-2.22531, w0=(387,'kJ/mol'), E0=(38.623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12746225601231873, var=2.60879683955956, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0 + Total Standard Deviation in ln(k): 3.558258973715489"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0 +Total Standard Deviation in ln(k): 3.558258973715489""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0 +Total Standard Deviation in ln(k): 3.558258973715489 +""", +) + +entry( + index = 544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.37744e+08,'m^3/(mol*s)'), n=-1.09942, w0=(387,'kJ/mol'), E0=(13.4617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->S_N-1S-u0_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F", + kinetics = ArrheniusBM(A=(0.293313,'m^3/(mol*s)'), n=2.05043, w0=(488,'kJ/mol'), E0=(25.5822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025510649935389887, var=5.220133423616194, Tref=1000.0, N=54, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F',), comment="""BM rule fitted to 54 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F + Total Standard Deviation in ln(k): 4.644437892246157"""), + rank = 11, + shortDesc = """BM rule fitted to 54 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F +Total Standard Deviation in ln(k): 4.644437892246157""", + longDesc = +""" +BM rule fitted to 54 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F +Total Standard Deviation in ln(k): 4.644437892246157 +""", +) + +entry( + index = 546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.259608,'m^3/(mol*s)'), n=2.06501, w0=(488,'kJ/mol'), E0=(25.5821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026796332641183987, var=5.248602255734641, Tref=1000.0, N=53, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R',), comment="""BM rule fitted to 53 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R + Total Standard Deviation in ln(k): 4.660141078620602"""), + rank = 11, + shortDesc = """BM rule fitted to 53 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R +Total Standard Deviation in ln(k): 4.660141078620602""", + longDesc = +""" +BM rule fitted to 53 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R +Total Standard Deviation in ln(k): 4.660141078620602 +""", +) + +entry( + index = 547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(94.4943,'m^3/(mol*s)'), n=1.22077, w0=(488,'kJ/mol'), E0=(40.1988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29486377977518635, var=7.625197556081782, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C',), comment="""BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C + Total Standard Deviation in ln(k): 6.276691149155248"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C +Total Standard Deviation in ln(k): 6.276691149155248""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C +Total Standard Deviation in ln(k): 6.276691149155248 +""", +) + +entry( + index = 548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl", + kinetics = ArrheniusBM(A=(2096.53,'m^3/(mol*s)'), n=0.679419, w0=(488,'kJ/mol'), E0=(46.0711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10459637592273062, var=2.1088885849623398, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl + Total Standard Deviation in ln(k): 3.174083828946002"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl +Total Standard Deviation in ln(k): 3.174083828946002""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl +Total Standard Deviation in ln(k): 3.174083828946002 +""", +) + +entry( + index = 549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R", + kinetics = ArrheniusBM(A=(358.04,'m^3/(mol*s)'), n=0.952836, w0=(488,'kJ/mol'), E0=(33.405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22753016011480978, var=1.2368698914211544, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R + Total Standard Deviation in ln(k): 2.8012429677677297"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 2.8012429677677297""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 2.8012429677677297 +""", +) + +entry( + index = 550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F", + kinetics = ArrheniusBM(A=(123732,'m^3/(mol*s)'), n=0.308511, w0=(488,'kJ/mol'), E0=(55.1996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08868957089241561, var=0.0008284753042906062, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F + Total Standard Deviation in ln(k): 0.2805409025979314"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 0.2805409025979314""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 0.2805409025979314 +""", +) + +entry( + index = 551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(105451,'m^3/(mol*s)'), n=0.337982, w0=(488,'kJ/mol'), E0=(55.9128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(130846,'m^3/(mol*s)'), n=0.291976, w0=(488,'kJ/mol'), E0=(54.3943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_N-6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_5R!H->F_Ext-3C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(1.32421e+06,'m^3/(mol*s)'), n=-0.124789, w0=(488,'kJ/mol'), E0=(66.015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007178334819833177, var=1.8329558535023671, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F + Total Standard Deviation in ln(k): 2.7321806820234453"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.7321806820234453""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.7321806820234453 +""", +) + +entry( + index = 554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(0.259473,'m^3/(mol*s)'), n=1.9166, w0=(488,'kJ/mol'), E0=(29.7813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(2.28046e+09,'m^3/(mol*s)'), n=-1.11171, w0=(488,'kJ/mol'), E0=(72.0375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13811192027120936, var=6.508210723425068, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 5.461333631242632"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 5.461333631242632""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 5.461333631242632 +""", +) + +entry( + index = 556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(41992,'m^3/(mol*s)'), n=0.397767, w0=(488,'kJ/mol'), E0=(54.2503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_4R!H->Cl_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl", + kinetics = ArrheniusBM(A=(293.477,'m^3/(mol*s)'), n=1.09074, w0=(488,'kJ/mol'), E0=(43.6375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26308232192534853, var=8.364421034940719, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl + Total Standard Deviation in ln(k): 6.458967085394629"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl +Total Standard Deviation in ln(k): 6.458967085394629""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl +Total Standard Deviation in ln(k): 6.458967085394629 +""", +) + +entry( + index = 558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F", + kinetics = ArrheniusBM(A=(1.2611e+15,'m^3/(mol*s)'), n=-2.54836, w0=(488,'kJ/mol'), E0=(85.1469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25001264874396345, var=15.5035580650581, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F + Total Standard Deviation in ln(k): 8.521728213744781"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F +Total Standard Deviation in ln(k): 8.521728213744781""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F +Total Standard Deviation in ln(k): 8.521728213744781 +""", +) + +entry( + index = 559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.36194e+15,'m^3/(mol*s)'), n=-2.55965, w0=(488,'kJ/mol'), E0=(85.3721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24010743907733045, var=16.317737028823565, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R + Total Standard Deviation in ln(k): 8.701456233982396"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R +Total Standard Deviation in ln(k): 8.701456233982396""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R +Total Standard Deviation in ln(k): 8.701456233982396 +""", +) + +entry( + index = 560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C", + kinetics = ArrheniusBM(A=(7.50814e+14,'m^3/(mol*s)'), n=-2.71527, w0=(488,'kJ/mol'), E0=(82.3665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8354637040329569, var=8.948127921284069, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C + Total Standard Deviation in ln(k): 8.096003592934249"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C +Total Standard Deviation in ln(k): 8.096003592934249""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C +Total Standard Deviation in ln(k): 8.096003592934249 +""", +) + +entry( + index = 561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R", + kinetics = ArrheniusBM(A=(4.29287e+13,'m^3/(mol*s)'), n=-2.47048, w0=(488,'kJ/mol'), E0=(77.1961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.21327752576381, var=11.024594169668635, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R + Total Standard Deviation in ln(k): 9.704818877536951"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R +Total Standard Deviation in ln(k): 9.704818877536951""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R +Total Standard Deviation in ln(k): 9.704818877536951 +""", +) + +entry( + index = 562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.29377e+06,'m^3/(mol*s)'), n=0.0785618, w0=(488,'kJ/mol'), E0=(61.3777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016410007618569873, var=1.5871625411843382, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 2.5668493369400287"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 2.5668493369400287""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 2.5668493369400287 +""", +) + +entry( + index = 563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(263344,'m^3/(mol*s)'), n=0.233328, w0=(488,'kJ/mol'), E0=(57.5043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012683810947407148, var=1.950211554440548, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 2.831480908055446"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.831480908055446""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.831480908055446 +""", +) + +entry( + index = 564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(6145.66,'m^3/(mol*s)'), n=0.680086, w0=(488,'kJ/mol'), E0=(52.2821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04071068514729454, var=1.5815545853449497, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 2.6234404566136185"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.6234404566136185""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.6234404566136185 +""", +) + +entry( + index = 565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(561871,'m^3/(mol*s)'), n=0.0560938, w0=(488,'kJ/mol'), E0=(48.3059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(1319.94,'m^3/(mol*s)'), n=0.883905, w0=(488,'kJ/mol'), E0=(51.8078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09011332691258196, var=2.11905569116774, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 3.144703564864061"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 3.144703564864061""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 3.144703564864061 +""", +) + +entry( + index = 567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br", + kinetics = ArrheniusBM(A=(2.68186e+06,'m^3/(mol*s)'), n=-0.134324, w0=(488,'kJ/mol'), E0=(50.4888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br", + kinetics = ArrheniusBM(A=(9.66126,'m^3/(mol*s)'), n=1.51338, w0=(488,'kJ/mol'), E0=(45.8443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23247897221325248, var=3.1776617631400246, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br + Total Standard Deviation in ln(k): 4.157758209058224"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br +Total Standard Deviation in ln(k): 4.157758209058224""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br +Total Standard Deviation in ln(k): 4.157758209058224 +""", +) + +entry( + index = 569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.40869,'m^3/(mol*s)'), n=1.66262, w0=(488,'kJ/mol'), E0=(31.3786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12206689015491975, var=12.271613434510007, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br_Ext-5C-R + Total Standard Deviation in ln(k): 7.329460659203915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br_Ext-5C-R +Total Standard Deviation in ln(k): 7.329460659203915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br_Ext-5C-R +Total Standard Deviation in ln(k): 7.329460659203915 +""", +) + +entry( + index = 570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(17443.2,'m^3/(mol*s)'), n=-0.0694086, w0=(488,'kJ/mol'), E0=(31.2722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.42982e+07,'m^3/(mol*s)'), n=-0.186606, w0=(488,'kJ/mol'), E0=(61.4827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0937409336470366, var=3.2881515382470625, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.870768419761703"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.870768419761703""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.870768419761703 +""", +) + +entry( + index = 572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(700084,'m^3/(mol*s)'), n=0.189376, w0=(488,'kJ/mol'), E0=(58.7049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16241889069857895, var=6.12876186795122, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.371077241085113"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.371077241085113""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.371077241085113 +""", +) + +entry( + index = 573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(53206.4,'m^3/(mol*s)'), n=0.46586, w0=(488,'kJ/mol'), E0=(59.245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1797545222867454, var=10.373234105729669, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.908396131605954"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.908396131605954""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.908396131605954 +""", +) + +entry( + index = 574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_5R!H->C", + kinetics = ArrheniusBM(A=(643581,'m^3/(mol*s)'), n=0.210082, w0=(488,'kJ/mol'), E0=(34.338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.40888e+06,'m^3/(mol*s)'), n=0.170263, w0=(488,'kJ/mol'), E0=(62.3365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012482309092288929, var=0.5649083162424056, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_N-5R!H->C + Total Standard Deviation in ln(k): 1.538129146592464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_N-5R!H->C +Total Standard Deviation in ln(k): 1.538129146592464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_Sp-5R!H-3C_N-5R!H->C +Total Standard Deviation in ln(k): 1.538129146592464 +""", +) + +entry( + index = 576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C", + kinetics = ArrheniusBM(A=(1.09087e+11,'m^3/(mol*s)'), n=-0.896212, w0=(488,'kJ/mol'), E0=(77.7861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.246527454388506, var=59.439785902144386, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C + Total Standard Deviation in ln(k): 26.125613536845417"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C +Total Standard Deviation in ln(k): 26.125613536845417""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C +Total Standard Deviation in ln(k): 26.125613536845417 +""", +) + +entry( + index = 577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_5R!H->C", + kinetics = ArrheniusBM(A=(36415.1,'m^3/(mol*s)'), n=0.414414, w0=(488,'kJ/mol'), E0=(66.9887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_N-5R!H->C", + kinetics = ArrheniusBM(A=(63.2732,'m^3/(mol*s)'), n=1.79468, w0=(488,'kJ/mol'), E0=(36.0645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_4BrCFO->F_Ext-3C-R_N-Sp-5R!H-3C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F", + kinetics = ArrheniusBM(A=(0.259075,'m^3/(mol*s)'), n=1.98533, w0=(488,'kJ/mol'), E0=(-55.9264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7342248412410374, var=4.919095611238939, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F + Total Standard Deviation in ln(k): 6.291094831531261"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F +Total Standard Deviation in ln(k): 6.291094831531261""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F +Total Standard Deviation in ln(k): 6.291094831531261 +""", +) + +entry( + index = 580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R", + kinetics = ArrheniusBM(A=(0.0429253,'m^3/(mol*s)'), n=2.22434, w0=(488,'kJ/mol'), E0=(15.7453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.739425395846905, var=5.5664223979117065, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R + Total Standard Deviation in ln(k): 6.587677714164386"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R +Total Standard Deviation in ln(k): 6.587677714164386""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R +Total Standard Deviation in ln(k): 6.587677714164386 +""", +) + +entry( + index = 581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.88374e+06,'m^3/(mol*s)'), n=-0.315665, w0=(488,'kJ/mol'), E0=(50.2569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16338092776332533, var=0.636243026639842, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C + Total Standard Deviation in ln(k): 2.0095786416820487"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C +Total Standard Deviation in ln(k): 2.0095786416820487""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C +Total Standard Deviation in ln(k): 2.0095786416820487 +""", +) + +entry( + index = 582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(5119.26,'m^3/(mol*s)'), n=0.513405, w0=(488,'kJ/mol'), E0=(38.1803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-4BrCO-R", + kinetics = ArrheniusBM(A=(13857.6,'m^3/(mol*s)'), n=0.196419, w0=(488,'kJ/mol'), E0=(22.9875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-4BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-4BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-4BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-4BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(30960.3,'m^3/(mol*s)'), n=0.161284, w0=(488,'kJ/mol'), E0=(26.0062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00858454,'m^3/(mol*s)'), n=2.46774, w0=(488,'kJ/mol'), E0=(14.7332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7540225704286652, var=7.135619158869208, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C + Total Standard Deviation in ln(k): 7.2496936308782205"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C +Total Standard Deviation in ln(k): 7.2496936308782205""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C +Total Standard Deviation in ln(k): 7.2496936308782205 +""", +) + +entry( + index = 586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0009667,'m^3/(mol*s)'), n=2.75037, w0=(488,'kJ/mol'), E0=(2.55393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8124197521188804, var=20.37394817454587, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.090130637687858"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.090130637687858""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.090130637687858 +""", +) + +entry( + index = 587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.000498046,'m^3/(mol*s)'), n=2.83082, w0=(488,'kJ/mol'), E0=(19.8446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5332514712911461, var=9.567158223257529, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C + Total Standard Deviation in ln(k): 7.5406384366123955"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 7.5406384366123955""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 7.5406384366123955 +""", +) + +entry( + index = 588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R", + kinetics = ArrheniusBM(A=(0.00373534,'m^3/(mol*s)'), n=2.71326, w0=(488,'kJ/mol'), E0=(17.6265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3157704798774783, var=10.268099134794628, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R + Total Standard Deviation in ln(k): 12.24246678038892"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R +Total Standard Deviation in ln(k): 12.24246678038892""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R +Total Standard Deviation in ln(k): 12.24246678038892 +""", +) + +entry( + index = 589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(0.00841162,'m^3/(mol*s)'), n=2.63357, w0=(488,'kJ/mol'), E0=(25.0556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_6R!H->C_Ext-4BrCO-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(182524,'m^3/(mol*s)'), n=0.431918, w0=(488,'kJ/mol'), E0=(54.7843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R", + kinetics = ArrheniusBM(A=(6.69977e+06,'m^3/(mol*s)'), n=0.0695718, w0=(488,'kJ/mol'), E0=(69.0195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040821380721751, var=1.2893322888178718, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R + Total Standard Deviation in ln(k): 2.3789182806131777"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R +Total Standard Deviation in ln(k): 2.3789182806131777""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R +Total Standard Deviation in ln(k): 2.3789182806131777 +""", +) + +entry( + index = 592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R_Ext-4BrCO-R", + kinetics = ArrheniusBM(A=(287130,'m^3/(mol*s)'), n=0.307078, w0=(488,'kJ/mol'), E0=(62.2395,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R_Ext-4BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R_Ext-4BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R_Ext-4BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_Ext-4BrCO-R_Ext-4BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(700187,'m^3/(mol*s)'), n=-0.112439, w0=(488,'kJ/mol'), E0=(25.1631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15147078051295845, var=0.5041926470342649, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_5BrClFINOPSSi->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 1.8040725471936208"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 1.8040725471936208""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 1.8040725471936208 +""", +) + +entry( + index = 594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_N-5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(161782,'m^3/(mol*s)'), n=0.272487, w0=(488,'kJ/mol'), E0=(41.9489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_N-5BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_N-5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_Ext-4BrCO-R_N-5R!H->C_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O", + kinetics = ArrheniusBM(A=(6979.31,'m^3/(mol*s)'), n=0.753371, w0=(488,'kJ/mol'), E0=(31.2357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2046278756944923, var=4.6193111796601425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O + Total Standard Deviation in ln(k): 4.822833867386025"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O +Total Standard Deviation in ln(k): 4.822833867386025""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O +Total Standard Deviation in ln(k): 4.822833867386025 +""", +) + +entry( + index = 596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(558471,'m^3/(mol*s)'), n=-0.00282918, w0=(488,'kJ/mol'), E0=(34.767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_4BrCO->O_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O", + kinetics = ArrheniusBM(A=(9.8909e+09,'m^3/(mol*s)'), n=-1.20508, w0=(488,'kJ/mol'), E0=(67.1845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07185740477894415, var=3.2129507905074215, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O + Total Standard Deviation in ln(k): 3.773974895869471"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O +Total Standard Deviation in ln(k): 3.773974895869471""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O +Total Standard Deviation in ln(k): 3.773974895869471 +""", +) + +entry( + index = 598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(44840.6,'m^3/(mol*s)'), n=0.490336, w0=(488,'kJ/mol'), E0=(44.505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5904049766858543, var=0.37349371883727156, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R + Total Standard Deviation in ln(k): 2.7086060406673402"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R +Total Standard Deviation in ln(k): 2.7086060406673402""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R +Total Standard Deviation in ln(k): 2.7086060406673402 +""", +) + +entry( + index = 599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(4301.45,'m^3/(mol*s)'), n=0.824108, w0=(488,'kJ/mol'), E0=(37.2183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_4BrC->Br", + kinetics = ArrheniusBM(A=(251202,'m^3/(mol*s)'), n=-0.0335826, w0=(488,'kJ/mol'), E0=(45.2705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_4BrC->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_4BrC->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_N-4BrC->Br", + kinetics = ArrheniusBM(A=(27421.6,'m^3/(mol*s)'), n=0.203407, w0=(488,'kJ/mol'), E0=(36.4532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_N-4BrC->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_N-4BrC->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_N-4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_Sp-4R!H-3C_N-4R!H->Cl_N-4BrCFO->F_N-4BrCO->O_N-4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(0.760989,'m^3/(mol*s)'), n=2.15789, w0=(488,'kJ/mol'), E0=(40.6232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28868570545494177, var=0.9314301564846054, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C + Total Standard Deviation in ln(k): 2.660123407155356"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 2.660123407155356""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 2.660123407155356 +""", +) + +entry( + index = 603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C", + kinetics = ArrheniusBM(A=(1.83781,'m^3/(mol*s)'), n=2.05349, w0=(488,'kJ/mol'), E0=(42.1331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33283922132649474, var=1.0521910625059516, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C + Total Standard Deviation in ln(k): 2.8926638177565196"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C +Total Standard Deviation in ln(k): 2.8926638177565196""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C +Total Standard Deviation in ln(k): 2.8926638177565196 +""", +) + +entry( + index = 604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C", + kinetics = ArrheniusBM(A=(0.00384842,'m^3/(mol*s)'), n=2.81959, w0=(488,'kJ/mol'), E0=(25.5822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003988976593535958, var=0.4369070482398342, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C + Total Standard Deviation in ln(k): 1.3351312832218056"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C +Total Standard Deviation in ln(k): 1.3351312832218056""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C +Total Standard Deviation in ln(k): 1.3351312832218056 +""", +) + +entry( + index = 605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.0055036,'m^3/(mol*s)'), n=2.77977, w0=(488,'kJ/mol'), E0=(27.0949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0088383622548817, var=0.4976651230929745, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R + Total Standard Deviation in ln(k): 1.4364550027372571"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R +Total Standard Deviation in ln(k): 1.4364550027372571""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R +Total Standard Deviation in ln(k): 1.4364550027372571 +""", +) + +entry( + index = 606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.0300716,'m^3/(mol*s)'), n=2.59747, w0=(488,'kJ/mol'), E0=(34.2673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05289415422251114, var=0.47975254445459414, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 1.5214630258005317"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 1.5214630258005317""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 1.5214630258005317 +""", +) + +entry( + index = 607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_5R!H->Br", + kinetics = ArrheniusBM(A=(2.22677e-06,'m^3/(mol*s)'), n=3.94896, w0=(488,'kJ/mol'), E0=(19.409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_N-5R!H->Br", + kinetics = ArrheniusBM(A=(0.612474,'m^3/(mol*s)'), n=2.0544, w0=(488,'kJ/mol'), E0=(21.8327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_N-5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_N-5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_N-5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_Sp-4C=3C_Ext-4C-R_Ext-4C-R_N-5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_N-Sp-4C=3C", + kinetics = ArrheniusBM(A=(4.48436e-08,'m^3/(mol*s)'), n=4.25339, w0=(488,'kJ/mol'), E0=(26.9039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_N-Sp-4C=3C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_N-Sp-4C=3C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_N-Sp-4C=3C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_4R!H->C_N-Sp-4C=3C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C", + kinetics = ArrheniusBM(A=(803115,'m^3/(mol*s)'), n=0.220794, w0=(488,'kJ/mol'), E0=(67.7907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F", + kinetics = ArrheniusBM(A=(1363.38,'m^3/(mol*s)'), n=0.773178, w0=(413.012,'kJ/mol'), E0=(30.4136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04075520733247547, var=7.104963493019662, Tref=1000.0, N=5634, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F',), comment="""BM rule fitted to 5634 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F + Total Standard Deviation in ln(k): 5.446048910356043"""), + rank = 11, + shortDesc = """BM rule fitted to 5634 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F +Total Standard Deviation in ln(k): 5.446048910356043""", + longDesc = +""" +BM rule fitted to 5634 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F +Total Standard Deviation in ln(k): 5.446048910356043 +""", +) + +entry( + index = 612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing", + kinetics = ArrheniusBM(A=(897.035,'m^3/(mol*s)'), n=0.837561, w0=(412.993,'kJ/mol'), E0=(32.025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05159435584293904, var=7.295231759820366, Tref=1000.0, N=5328, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing',), comment="""BM rule fitted to 5328 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing + Total Standard Deviation in ln(k): 5.544360696896916"""), + rank = 11, + shortDesc = """BM rule fitted to 5328 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing +Total Standard Deviation in ln(k): 5.544360696896916""", + longDesc = +""" +BM rule fitted to 5328 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing +Total Standard Deviation in ln(k): 5.544360696896916 +""", +) + +entry( + index = 613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.87226e+06,'m^3/(mol*s)'), n=-0.289277, w0=(413.044,'kJ/mol'), E0=(36.7411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11274748957941058, var=6.962239205984325, Tref=1000.0, N=5115, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R',), comment="""BM rule fitted to 5115 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 5.5729902350412654"""), + rank = 11, + shortDesc = """BM rule fitted to 5115 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 5.5729902350412654""", + longDesc = +""" +BM rule fitted to 5115 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 5.5729902350412654 +""", +) + +entry( + index = 614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C", + kinetics = ArrheniusBM(A=(6.05799e+17,'m^3/(mol*s)'), n=-2.79918, w0=(420.81,'kJ/mol'), E0=(88.0904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24379419555696388, var=9.40575772882566, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C + Total Standard Deviation in ln(k): 6.760831711193017"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C +Total Standard Deviation in ln(k): 6.760831711193017""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C +Total Standard Deviation in ln(k): 6.760831711193017 +""", +) + +entry( + index = 615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(1.18011e+15,'m^3/(mol*s)'), n=-1.92885, w0=(435,'kJ/mol'), E0=(95.4662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9511746202198481, var=21.806472639804074, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 11.751477769447598"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 11.751477769447598""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 11.751477769447598 +""", +) + +entry( + index = 616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0", + kinetics = ArrheniusBM(A=(229138,'m^3/(mol*s)'), n=0.805418, w0=(435,'kJ/mol'), E0=(75.4946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8547383567255414, var=6.549590358064791, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0 + Total Standard Deviation in ln(k): 7.278135394209919"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0 +Total Standard Deviation in ln(k): 7.278135394209919""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0 +Total Standard Deviation in ln(k): 7.278135394209919 +""", +) + +entry( + index = 617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R", + kinetics = ArrheniusBM(A=(4.29503e+15,'m^3/(mol*s)'), n=-2.9305, w0=(435,'kJ/mol'), E0=(53.5582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3073618398491002, var=2.5734794019896796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R + Total Standard Deviation in ln(k): 3.9882755381469432"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R +Total Standard Deviation in ln(k): 3.9882755381469432""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R +Total Standard Deviation in ln(k): 3.9882755381469432 +""", +) + +entry( + index = 618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.21e+06,'m^3/(mol*s)'), n=-2.62971e-09, w0=(435,'kJ/mol'), E0=(28.2734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.59673e+20,'m^3/(mol*s)'), n=-4.43418, w0=(435,'kJ/mol'), E0=(47.5823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_4R!H->N", + kinetics = ArrheniusBM(A=(280974,'m^3/(mol*s)'), n=0.780372, w0=(435,'kJ/mol'), E0=(75.7066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8495866251421962, var=6.394494106229691, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_4R!H->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_4R!H->N + Total Standard Deviation in ln(k): 7.204080903797665"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_4R!H->N +Total Standard Deviation in ln(k): 7.204080903797665""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_4R!H->N +Total Standard Deviation in ln(k): 7.204080903797665 +""", +) + +entry( + index = 621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_N-4R!H->N", + kinetics = ArrheniusBM(A=(2.14497e-05,'m^3/(mol*s)'), n=3.13026, w0=(435,'kJ/mol'), E0=(180.13,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_N-4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_N-4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_1O-u0_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_N-1O-u0", + kinetics = ArrheniusBM(A=(7.14326e+07,'m^3/(mol*s)'), n=0.537892, w0=(435,'kJ/mol'), E0=(15.4819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_N-1O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_N-1O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_N-1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_1BrCClHINOPSSi->O_N-1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(989209,'m^3/(mol*s)'), n=0.484585, w0=(413.714,'kJ/mol'), E0=(36.3787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5359341649772467, var=1.604323051923079, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 3.885803286830146"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 3.885803286830146""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 3.885803286830146 +""", +) + +entry( + index = 624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R", + kinetics = ArrheniusBM(A=(246.561,'m^3/(mol*s)'), n=0.966867, w0=(411,'kJ/mol'), E0=(16.2404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.279474796939826, var=13.614604467698918, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R + Total Standard Deviation in ln(k): 8.099264153835243"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R +Total Standard Deviation in ln(k): 8.099264153835243""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R +Total Standard Deviation in ln(k): 8.099264153835243 +""", +) + +entry( + index = 625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R", + kinetics = ArrheniusBM(A=(785476,'m^3/(mol*s)'), n=3.84365e-08, w0=(411,'kJ/mol'), E0=(16.5109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16904557513619675, var=0.7340320787117283, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R + Total Standard Deviation in ln(k): 2.142307877039911"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R +Total Standard Deviation in ln(k): 2.142307877039911""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R +Total Standard Deviation in ln(k): 2.142307877039911 +""", +) + +entry( + index = 626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_Sp-5R!H=1BrBrCCClClHHIINN", + kinetics = ArrheniusBM(A=(1.21e+06,'m^3/(mol*s)'), n=4.45791e-09, w0=(411,'kJ/mol'), E0=(25.5113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_Sp-5R!H=1BrBrCCClClHHIINN',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_Sp-5R!H=1BrBrCCClClHHIINN + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_Sp-5R!H=1BrBrCCClClHHIINN +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_Sp-5R!H=1BrBrCCClClHHIINN +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN", + kinetics = ArrheniusBM(A=(640126,'m^3/(mol*s)'), n=0.00140193, w0=(411,'kJ/mol'), E0=(37.7135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.256314812270856e-10, var=0.016213358458795762, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN + Total Standard Deviation in ln(k): 0.25526630052794214"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN +Total Standard Deviation in ln(k): 0.25526630052794214""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN +Total Standard Deviation in ln(k): 0.25526630052794214 +""", +) + +entry( + index = 628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN_Ext-1BrCClHIN-R", + kinetics = ArrheniusBM(A=(662000,'m^3/(mol*s)'), n=-2.59262e-09, w0=(411,'kJ/mol'), E0=(36.0652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN_Ext-1BrCClHIN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN_Ext-1BrCClHIN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN_Ext-1BrCClHIN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_Ext-1BrCClHIN-R_Ext-1BrCClHIN-R_N-Sp-5R!H=1BrBrCCClClHHIINN_Ext-1BrCClHIN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N", + kinetics = ArrheniusBM(A=(3.57603e+06,'m^3/(mol*s)'), n=0.324524, w0=(413.125,'kJ/mol'), E0=(38.4836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5385443004557412, var=1.5703834325980033, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N + Total Standard Deviation in ln(k): 3.8653589535504707"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N +Total Standard Deviation in ln(k): 3.8653589535504707""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N +Total Standard Deviation in ln(k): 3.8653589535504707 +""", +) + +entry( + index = 630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_1BrCClHIN->H", + kinetics = ArrheniusBM(A=(2.23443e+07,'m^3/(mol*s)'), n=0.101069, w0=(421.5,'kJ/mol'), E0=(41.6108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3689319611003008, var=6.4684992732545865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_1BrCClHIN->H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_1BrCClHIN->H + Total Standard Deviation in ln(k): 8.538219284586942"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_1BrCClHIN->H +Total Standard Deviation in ln(k): 8.538219284586942""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_1BrCClHIN->H +Total Standard Deviation in ln(k): 8.538219284586942 +""", +) + +entry( + index = 631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H", + kinetics = ArrheniusBM(A=(1289.52,'m^3/(mol*s)'), n=1.30961, w0=(404.75,'kJ/mol'), E0=(23.1306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02003037898756117, var=0.006222495034875923, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H + Total Standard Deviation in ln(k): 0.20846668756894415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H +Total Standard Deviation in ln(k): 0.20846668756894415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H +Total Standard Deviation in ln(k): 0.20846668756894415 +""", +) + +entry( + index = 632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_1CClN->N", + kinetics = ArrheniusBM(A=(3.7606e+07,'m^3/(mol*s)'), n=-0.175194, w0=(398.5,'kJ/mol'), E0=(19.1359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_1CClN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_1CClN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_1CClN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_1CClN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_N-1CClN->N", + kinetics = ArrheniusBM(A=(0.22436,'m^3/(mol*s)'), n=2.56214, w0=(411,'kJ/mol'), E0=(22.4611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_N-1CClN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_N-1CClN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_N-1CClN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_4R!H->N_N-1BrCClHIN->H_N-1CClN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N", + kinetics = ArrheniusBM(A=(0.293861,'m^3/(mol*s)'), n=2.49548, w0=(416.9,'kJ/mol'), E0=(24.3681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1631412917823693, var=3.2164597635481624, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N + Total Standard Deviation in ln(k): 4.005293113349096"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N +Total Standard Deviation in ln(k): 4.005293113349096""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N +Total Standard Deviation in ln(k): 4.005293113349096 +""", +) + +entry( + index = 635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_1BrCClHIN->Cl", + kinetics = ArrheniusBM(A=(0.0047148,'m^3/(mol*s)'), n=3.03269, w0=(419.5,'kJ/mol'), E0=(30.0604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_1BrCClHIN->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_1BrCClHIN->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_1BrCClHIN->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_1BrCClHIN->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl", + kinetics = ArrheniusBM(A=(11.7752,'m^3/(mol*s)'), n=2.0177, w0=(416.25,'kJ/mol'), E0=(30.1688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9807681102698984, var=11.34313744599714, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl + Total Standard Deviation in ln(k): 11.72866675449722"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl +Total Standard Deviation in ln(k): 11.72866675449722""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl +Total Standard Deviation in ln(k): 11.72866675449722 +""", +) + +entry( + index = 637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0", + kinetics = ArrheniusBM(A=(33180.1,'m^3/(mol*s)'), n=1.05422, w0=(418,'kJ/mol'), E0=(51.4983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3910551672705966, var=19.23660381481701, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0 + Total Standard Deviation in ln(k): 14.800354719462927"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0 +Total Standard Deviation in ln(k): 14.800354719462927""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0 +Total Standard Deviation in ln(k): 14.800354719462927 +""", +) + +entry( + index = 638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_1CHN->C", + kinetics = ArrheniusBM(A=(453000,'m^3/(mol*s)'), n=-8.35541e-09, w0=(411,'kJ/mol'), E0=(36.4237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_1CHN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_1CHN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_1CHN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_1CHN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C", + kinetics = ArrheniusBM(A=(1400.26,'m^3/(mol*s)'), n=1.5031, w0=(421.5,'kJ/mol'), E0=(47.6378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.167072484045494, var=12.678401785967628, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C + Total Standard Deviation in ln(k): 12.583114495950246"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C +Total Standard Deviation in ln(k): 12.583114495950246""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C +Total Standard Deviation in ln(k): 12.583114495950246 +""", +) + +entry( + index = 640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1055.74,'m^3/(mol*s)'), n=1.57706, w0=(421.5,'kJ/mol'), E0=(48.0977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_4C-u0_N-1CHN->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_N-4C-u0", + kinetics = ArrheniusBM(A=(7.5e+06,'m^3/(mol*s)'), n=4.75494e-08, w0=(411,'kJ/mol'), E0=(20.4648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_N-4C-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_N-4C-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_N-4C-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_Sp-4R!H#3C_N-1BrCClHINOPSSi->O_N-4R!H->N_N-1BrCClHIN->Cl_N-4C-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C", + kinetics = ArrheniusBM(A=(335099,'m^3/(mol*s)'), n=0.0295541, w0=(413.012,'kJ/mol'), E0=(31.9113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0801758590337877, var=6.627223978035816, Tref=1000.0, N=5094, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C',), comment="""BM rule fitted to 5094 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C + Total Standard Deviation in ln(k): 5.362315624234482"""), + rank = 11, + shortDesc = """BM rule fitted to 5094 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C +Total Standard Deviation in ln(k): 5.362315624234482""", + longDesc = +""" +BM rule fitted to 5094 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C +Total Standard Deviation in ln(k): 5.362315624234482 +""", +) + +entry( + index = 643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C", + kinetics = ArrheniusBM(A=(56.5525,'m^3/(mol*s)'), n=1.33339, w0=(412.675,'kJ/mol'), E0=(35.5556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.039863651409094876, var=10.092398352718014, Tref=1000.0, N=1372, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C',), comment="""BM rule fitted to 1372 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C + Total Standard Deviation in ln(k): 6.468909636016826"""), + rank = 11, + shortDesc = """BM rule fitted to 1372 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C +Total Standard Deviation in ln(k): 6.468909636016826""", + longDesc = +""" +BM rule fitted to 1372 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C +Total Standard Deviation in ln(k): 6.468909636016826 +""", +) + +entry( + index = 644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C", + kinetics = ArrheniusBM(A=(15.2325,'m^3/(mol*s)'), n=1.42318, w0=(412.607,'kJ/mol'), E0=(28.4346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04195011747308214, var=6.988555665417445, Tref=1000.0, N=807, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C',), comment="""BM rule fitted to 807 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C + Total Standard Deviation in ln(k): 5.405095198158132"""), + rank = 11, + shortDesc = """BM rule fitted to 807 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C +Total Standard Deviation in ln(k): 5.405095198158132""", + longDesc = +""" +BM rule fitted to 807 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C +Total Standard Deviation in ln(k): 5.405095198158132 +""", +) + +entry( + index = 645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(0.0442606,'m^3/(mol*s)'), n=2.22685, w0=(435,'kJ/mol'), E0=(35.218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26957036808136103, var=11.663600034261032, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 7.523886358764729"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 7.523886358764729""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 7.523886358764729 +""", +) + +entry( + index = 646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(8.35501e+15,'m^3/(mol*s)'), n=-3.13752, w0=(435,'kJ/mol'), E0=(110.22,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.93083068390577, var=44.338122715082456, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R + Total Standard Deviation in ln(k): 18.20023830303694"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R +Total Standard Deviation in ln(k): 18.20023830303694""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R +Total Standard Deviation in ln(k): 18.20023830303694 +""", +) + +entry( + index = 647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C", + kinetics = ArrheniusBM(A=(5.32838e-08,'m^3/(mol*s)'), n=3.71113, w0=(435,'kJ/mol'), E0=(90.1382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.166079627189866, var=127.82402166005821, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C + Total Standard Deviation in ln(k): 40.67061685433279"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 40.67061685433279""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 40.67061685433279 +""", +) + +entry( + index = 648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.00469e-08,'m^3/(mol*s)'), n=3.77706, w0=(435,'kJ/mol'), E0=(93.0292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(7.34112e+07,'m^3/(mol*s)'), n=-0.864819, w0=(435,'kJ/mol'), E0=(20.776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.685357263580373, var=7.019007559820645, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C + Total Standard Deviation in ln(k): 9.545792757567487"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 9.545792757567487""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 9.545792757567487 +""", +) + +entry( + index = 650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(3940.02,'m^3/(mol*s)'), n=0.754324, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26538109240506497, var=1.9155783575128074, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 3.441428627950973"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 3.441428627950973""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 3.441428627950973 +""", +) + +entry( + index = 651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.06218,'m^3/(mol*s)'), n=1.6288, w0=(435,'kJ/mol'), E0=(5.6383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18583589641694537, var=4.622623079854829e-12, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R + Total Standard Deviation in ln(k): 0.4669286730944446"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R +Total Standard Deviation in ln(k): 0.4669286730944446""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R +Total Standard Deviation in ln(k): 0.4669286730944446 +""", +) + +entry( + index = 652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.06219,'m^3/(mol*s)'), n=1.6288, w0=(435,'kJ/mol'), E0=(5.8733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18583593378113558, var=1.2654124622945217e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R_Ext-4C-R + Total Standard Deviation in ln(k): 0.4669315881077254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 0.4669315881077254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 0.4669315881077254 +""", +) + +entry( + index = 653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.06953e+06,'m^3/(mol*s)'), n=-0.12015, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34492634669090555, var=1.3567142864551448e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-4C-R + Total Standard Deviation in ln(k): 0.8666564964502395"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-4C-R +Total Standard Deviation in ln(k): 0.8666564964502395""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_Ext-4C-R +Total Standard Deviation in ln(k): 0.8666564964502395 +""", +) + +entry( + index = 654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(1.40273e+08,'m^3/(mol*s)'), n=-0.971445, w0=(435,'kJ/mol'), E0=(45.8787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.490482851957059, var=12.906206749120733, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 13.459547360093055"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 13.459547360093055""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 13.459547360093055 +""", +) + +entry( + index = 655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.73716e+16,'m^3/(mol*s)'), n=-3.35487, w0=(435,'kJ/mol'), E0=(37.7059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3289283313815836, var=0.6956798749466565, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R + Total Standard Deviation in ln(k): 2.4985510246063134"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R +Total Standard Deviation in ln(k): 2.4985510246063134""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R +Total Standard Deviation in ln(k): 2.4985510246063134 +""", +) + +entry( + index = 656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F", + kinetics = ArrheniusBM(A=(1.11631e+18,'m^3/(mol*s)'), n=-3.76406, w0=(435,'kJ/mol'), E0=(35.1656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36638651308695797, var=0.17868810873216467, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F + Total Standard Deviation in ln(k): 1.7680010426651487"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F +Total Standard Deviation in ln(k): 1.7680010426651487""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F +Total Standard Deviation in ln(k): 1.7680010426651487 +""", +) + +entry( + index = 657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.04261e+18,'m^3/(mol*s)'), n=-4.04959, w0=(435,'kJ/mol'), E0=(32.5303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_6R!H->F_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_N-6R!H->F", + kinetics = ArrheniusBM(A=(8.53062e+13,'m^3/(mol*s)'), n=-2.53648, w0=(435,'kJ/mol'), E0=(42.7863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_N-6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_N-6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0_Ext-4C-R_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0", + kinetics = ArrheniusBM(A=(5.93849e-05,'m^3/(mol*s)'), n=3.23257, w0=(435,'kJ/mol'), E0=(27.5562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14513870635792825, var=2.158836619098738, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0 + Total Standard Deviation in ln(k): 3.310223360516576"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0 +Total Standard Deviation in ln(k): 3.310223360516576""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0 +Total Standard Deviation in ln(k): 3.310223360516576 +""", +) + +entry( + index = 660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.61005e-07,'m^3/(mol*s)'), n=4.03149, w0=(435,'kJ/mol'), E0=(23.6813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3355841880110088, var=3.088709776621299, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R + Total Standard Deviation in ln(k): 4.366443227525281"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R +Total Standard Deviation in ln(k): 4.366443227525281""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R +Total Standard Deviation in ln(k): 4.366443227525281 +""", +) + +entry( + index = 661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.65834e-12,'m^3/(mol*s)'), n=5.35299, w0=(435,'kJ/mol'), E0=(7.53783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7025721827958997, var=15.8980022326076, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 9.75859637208657"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 9.75859637208657""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 9.75859637208657 +""", +) + +entry( + index = 662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.10174e-06,'m^3/(mol*s)'), n=3.5896, w0=(435,'kJ/mol'), E0=(22.3957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12913947778375168, var=0.9909450328479128, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 2.320109081772855"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.320109081772855""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.320109081772855 +""", +) + +entry( + index = 663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.5995e-09,'m^3/(mol*s)'), n=4.55875, w0=(435,'kJ/mol'), E0=(15.7184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.03312e-07,'m^3/(mol*s)'), n=4.05727, w0=(435,'kJ/mol'), E0=(24.119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19799125053290006, var=0.3891207189947327, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.7480100019145468"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.7480100019145468""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.7480100019145468 +""", +) + +entry( + index = 665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.77688e-07,'m^3/(mol*s)'), n=3.99813, w0=(435,'kJ/mol'), E0=(25.4829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5316322175045999, var=1.314893637023454, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 3.634565230880444"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.634565230880444""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.634565230880444 +""", +) + +entry( + index = 666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_6R!H->O", + kinetics = ArrheniusBM(A=(1.34207e-06,'m^3/(mol*s)'), n=3.874, w0=(435,'kJ/mol'), E0=(26.2747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(4.85929e-13,'m^3/(mol*s)'), n=5.71361, w0=(435,'kJ/mol'), E0=(8.41168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3291486235118731, var=0.9654329900935855, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O + Total Standard Deviation in ln(k): 2.796788103991591"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.796788103991591""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.796788103991591 +""", +) + +entry( + index = 668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.16287e-09,'m^3/(mol*s)'), n=4.6688, w0=(435,'kJ/mol'), E0=(17.38,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.17242e-08,'m^3/(mol*s)'), n=4.53663, w0=(435,'kJ/mol'), E0=(23.5354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.98358e-09,'m^3/(mol*s)'), n=4.59986, w0=(435,'kJ/mol'), E0=(19.8702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-3C-R_N-5R!H->C_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.000114547,'m^3/(mol*s)'), n=3.14169, w0=(435,'kJ/mol'), E0=(27.9486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5307177992438754, var=3.164402810011919, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R + Total Standard Deviation in ln(k): 7.412201419670442"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R +Total Standard Deviation in ln(k): 7.412201419670442""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R +Total Standard Deviation in ln(k): 7.412201419670442 +""", +) + +entry( + index = 672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(2.24994e-12,'m^3/(mol*s)'), n=5.34212, w0=(435,'kJ/mol'), E0=(0.683749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.250103123113569, var=0.5550040084521792, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 2.121899195926205"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 2.121899195926205""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 2.121899195926205 +""", +) + +entry( + index = 673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.94314e-09,'m^3/(mol*s)'), n=4.60268, w0=(435,'kJ/mol'), E0=(18.0892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05200608719060887, var=2.2144671301510535, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R + Total Standard Deviation in ln(k): 3.113932019489812"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 3.113932019489812""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 3.113932019489812 +""", +) + +entry( + index = 674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_5R!H->Br", + kinetics = ArrheniusBM(A=(0.000107683,'m^3/(mol*s)'), n=3.43871, w0=(435,'kJ/mol'), E0=(24.8525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br", + kinetics = ArrheniusBM(A=(2.53315e-14,'m^3/(mol*s)'), n=5.99429, w0=(435,'kJ/mol'), E0=(-1.43534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.032095097958061376, var=1.684203725581211, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br + Total Standard Deviation in ln(k): 2.6823234828780045"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br +Total Standard Deviation in ln(k): 2.6823234828780045""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br +Total Standard Deviation in ln(k): 2.6823234828780045 +""", +) + +entry( + index = 676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_5CClF->C", + kinetics = ArrheniusBM(A=(1.93871e-09,'m^3/(mol*s)'), n=4.54608, w0=(435,'kJ/mol'), E0=(19.2465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_5CClF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_5CClF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_5CClF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_5CClF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_N-5CClF->C", + kinetics = ArrheniusBM(A=(2.27121e-08,'m^3/(mol*s)'), n=4.33771, w0=(435,'kJ/mol'), E0=(20.1373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_N-5CClF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_N-5CClF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_N-5CClF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-5R!H->Br_N-5CClF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_5R!H->F", + kinetics = ArrheniusBM(A=(1.75258e-08,'m^3/(mol*s)'), n=4.15366, w0=(435,'kJ/mol'), E0=(16.6661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F", + kinetics = ArrheniusBM(A=(4.16564e-08,'m^3/(mol*s)'), n=3.98086, w0=(435,'kJ/mol'), E0=(13.2243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.0014069,'m^3/(mol*s)'), n=2.83401, w0=(435,'kJ/mol'), E0=(37.5616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_1O-u0_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0", + kinetics = ArrheniusBM(A=(5.29833,'m^3/(mol*s)'), n=1.63438, w0=(435,'kJ/mol'), E0=(47.021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18061543132494962, var=27.378873912189043, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0 + Total Standard Deviation in ln(k): 10.943548979130133"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0 +Total Standard Deviation in ln(k): 10.943548979130133""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0 +Total Standard Deviation in ln(k): 10.943548979130133 +""", +) + +entry( + index = 682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00108687,'m^3/(mol*s)'), n=2.76028, w0=(435,'kJ/mol'), E0=(28.2956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2812462138182637, var=4.860134769700615, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R + Total Standard Deviation in ln(k): 5.126230263692021"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R +Total Standard Deviation in ln(k): 5.126230263692021""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R +Total Standard Deviation in ln(k): 5.126230263692021 +""", +) + +entry( + index = 683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.00936229,'m^3/(mol*s)'), n=2.50727, w0=(435,'kJ/mol'), E0=(33.3624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22137068217204217, var=2.3246454778423375, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R + Total Standard Deviation in ln(k): 3.6127848390650117"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.6127848390650117""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.6127848390650117 +""", +) + +entry( + index = 684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_5R!H->C", + kinetics = ArrheniusBM(A=(4.67656e-05,'m^3/(mol*s)'), n=3.23109, w0=(435,'kJ/mol'), E0=(23.2474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.41146e-10,'m^3/(mol*s)'), n=4.71608, w0=(435,'kJ/mol'), E0=(4.14302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06010293110260232, var=0.44410659614416725, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.4869943724757302"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.4869943724757302""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.4869943724757302 +""", +) + +entry( + index = 686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.80379e-07,'m^3/(mol*s)'), n=3.75994, w0=(435,'kJ/mol'), E0=(19.0975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00530565,'m^3/(mol*s)'), n=2.54826, w0=(435,'kJ/mol'), E0=(17.994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R", + kinetics = ArrheniusBM(A=(9.7306e-07,'m^3/(mol*s)'), n=3.66457, w0=(435,'kJ/mol'), E0=(7.25334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.058787998510133145, var=0.17040527215482568, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R + Total Standard Deviation in ln(k): 0.9752666564923472"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R +Total Standard Deviation in ln(k): 0.9752666564923472""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R +Total Standard Deviation in ln(k): 0.9752666564923472 +""", +) + +entry( + index = 689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.28626e-05,'m^3/(mol*s)'), n=3.39388, w0=(435,'kJ/mol'), E0=(20.6221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.79697e-06,'m^3/(mol*s)'), n=3.56296, w0=(435,'kJ/mol'), E0=(6.83621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020185919649704065, var=0.37754970467116206, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.282529331117818"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.282529331117818""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.282529331117818 +""", +) + +entry( + index = 691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(7.32453e-06,'m^3/(mol*s)'), n=3.38301, w0=(435,'kJ/mol'), E0=(17.4187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_1BrCClHINOPSSi->O_N-1O-u0_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(23.069,'m^3/(mol*s)'), n=1.3694, w0=(411.47,'kJ/mol'), E0=(28.6097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07754007871879211, var=7.257999608830226, Tref=1000.0, N=768, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O',), comment="""BM rule fitted to 768 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 5.595715904610815"""), + rank = 11, + shortDesc = """BM rule fitted to 768 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 5.595715904610815""", + longDesc = +""" +BM rule fitted to 768 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 5.595715904610815 +""", +) + +entry( + index = 693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.39602e-14,'m^3/(mol*s)'), n=5.81088, w0=(411.44,'kJ/mol'), E0=(15.2829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18367322038356798, var=9.246343681910105, Tref=1000.0, N=487, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R',), comment="""BM rule fitted to 487 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R + Total Standard Deviation in ln(k): 6.55744905413177"""), + rank = 11, + shortDesc = """BM rule fitted to 487 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R +Total Standard Deviation in ln(k): 6.55744905413177""", + longDesc = +""" +BM rule fitted to 487 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R +Total Standard Deviation in ln(k): 6.55744905413177 +""", +) + +entry( + index = 694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H", + kinetics = ArrheniusBM(A=(4.10011,'m^3/(mol*s)'), n=1.76395, w0=(421.5,'kJ/mol'), E0=(43.4213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15228130095329018, var=1.5652036973444525, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H + Total Standard Deviation in ln(k): 2.890702322476159"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H +Total Standard Deviation in ln(k): 2.890702322476159""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H +Total Standard Deviation in ln(k): 2.890702322476159 +""", +) + +entry( + index = 695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F", + kinetics = ArrheniusBM(A=(0.040953,'m^3/(mol*s)'), n=2.45868, w0=(421.5,'kJ/mol'), E0=(41.8181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020009382014886425, var=0.6483276046058948, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F + Total Standard Deviation in ln(k): 1.6644633188236"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F +Total Standard Deviation in ln(k): 1.6644633188236""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F +Total Standard Deviation in ln(k): 1.6644633188236 +""", +) + +entry( + index = 696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.123989,'m^3/(mol*s)'), n=2.32831, w0=(421.5,'kJ/mol'), E0=(43.777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016827744545003503, var=0.9672816213111093, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R + Total Standard Deviation in ln(k): 2.0139472648735017"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 2.0139472648735017""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 2.0139472648735017 +""", +) + +entry( + index = 697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_6R!H->O", + kinetics = ArrheniusBM(A=(5.96108e-05,'m^3/(mol*s)'), n=3.33865, w0=(421.5,'kJ/mol'), E0=(46.2092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.00320513,'m^3/(mol*s)'), n=2.76327, w0=(421.5,'kJ/mol'), E0=(35.8026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04611594685248216, var=0.6626146356454382, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O + Total Standard Deviation in ln(k): 1.747746514150204"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 1.747746514150204""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 1.747746514150204 +""", +) + +entry( + index = 699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(8.11785e-05,'m^3/(mol*s)'), n=3.17738, w0=(421.5,'kJ/mol'), E0=(34.0405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(4.05394e-05,'m^3/(mol*s)'), n=3.32871, w0=(421.5,'kJ/mol'), E0=(29.2371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07766897334912228, var=0.20150497617951818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 1.0950598306207606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 1.0950598306207606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 1.0950598306207606 +""", +) + +entry( + index = 701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.0064501,'m^3/(mol*s)'), n=2.71201, w0=(421.5,'kJ/mol'), E0=(37.8907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_5R!H->F_Ext-4C-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F", + kinetics = ArrheniusBM(A=(3.61576,'m^3/(mol*s)'), n=1.64326, w0=(421.5,'kJ/mol'), E0=(39.43,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38883101533972647, var=3.5539482931662985, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F + Total Standard Deviation in ln(k): 4.7562725697671455"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F +Total Standard Deviation in ln(k): 4.7562725697671455""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F +Total Standard Deviation in ln(k): 4.7562725697671455 +""", +) + +entry( + index = 703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C", + kinetics = ArrheniusBM(A=(8.03917,'m^3/(mol*s)'), n=1.53468, w0=(421.5,'kJ/mol'), E0=(40.3724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3672328432780981, var=3.6229176456178283, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C + Total Standard Deviation in ln(k): 4.73850100484598"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C +Total Standard Deviation in ln(k): 4.73850100484598""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C +Total Standard Deviation in ln(k): 4.73850100484598 +""", +) + +entry( + index = 704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(12.5509,'m^3/(mol*s)'), n=1.47131, w0=(421.5,'kJ/mol'), E0=(40.8179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36426454632780697, var=3.846138529225635, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R + Total Standard Deviation in ln(k): 4.846838678502146"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.846838678502146""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.846838678502146 +""", +) + +entry( + index = 705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.39069e-05,'m^3/(mol*s)'), n=3.36724, w0=(421.5,'kJ/mol'), E0=(25.3973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0859781621084343, var=2.7317266262181703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 6.0420016174538995"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 6.0420016174538995""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 6.0420016174538995 +""", +) + +entry( + index = 706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(8.81097e+06,'m^3/(mol*s)'), n=-0.322653, w0=(421.5,'kJ/mol'), E0=(49.654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_Ext-5C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_6R!H->S", + kinetics = ArrheniusBM(A=(9.55773e-08,'m^3/(mol*s)'), n=4.20303, w0=(421.5,'kJ/mol'), E0=(53.4356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06592141924042545, var=110.59666625870459, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_6R!H->S + Total Standard Deviation in ln(k): 21.248418045614482"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_6R!H->S +Total Standard Deviation in ln(k): 21.248418045614482""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_6R!H->S +Total Standard Deviation in ln(k): 21.248418045614482 +""", +) + +entry( + index = 708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(0.75236,'m^3/(mol*s)'), n=1.7275, w0=(421.5,'kJ/mol'), E0=(35.8606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25506527900606424, var=0.6274828319138185, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S + Total Standard Deviation in ln(k): 2.2288946494155106"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S +Total Standard Deviation in ln(k): 2.2288946494155106""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S +Total Standard Deviation in ln(k): 2.2288946494155106 +""", +) + +entry( + index = 709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_Sp-6CF=5C", + kinetics = ArrheniusBM(A=(1.40419e-08,'m^3/(mol*s)'), n=4.22566, w0=(421.5,'kJ/mol'), E0=(35.1966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10508885819418112, var=3.5017573136697, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_Sp-6CF=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_Sp-6CF=5C + Total Standard Deviation in ln(k): 4.0154996920971735"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_Sp-6CF=5C +Total Standard Deviation in ln(k): 4.0154996920971735""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_Sp-6CF=5C +Total Standard Deviation in ln(k): 4.0154996920971735 +""", +) + +entry( + index = 710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_N-Sp-6CF=5C", + kinetics = ArrheniusBM(A=(2.18751,'m^3/(mol*s)'), n=1.57769, w0=(421.5,'kJ/mol'), E0=(35.9008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2603402572762825, var=0.7604355712748115, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_N-Sp-6CF=5C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_N-Sp-6CF=5C + Total Standard Deviation in ln(k): 2.402309517310138"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_N-Sp-6CF=5C +Total Standard Deviation in ln(k): 2.402309517310138""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_5CClS->C_Ext-5C-R_N-6R!H->S_N-Sp-6CF=5C +Total Standard Deviation in ln(k): 2.402309517310138 +""", +) + +entry( + index = 711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_N-5CClS->C", + kinetics = ArrheniusBM(A=(1.26973e-06,'m^3/(mol*s)'), n=3.73364, w0=(421.5,'kJ/mol'), E0=(21.5606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24612482255344068, var=0.3748010689253166, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_N-5CClS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_N-5CClS->C + Total Standard Deviation in ln(k): 1.845722913653489"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_N-5CClS->C +Total Standard Deviation in ln(k): 1.845722913653489""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_1BrCClHN->H_N-5R!H->F_N-5CClS->C +Total Standard Deviation in ln(k): 1.845722913653489 +""", +) + +entry( + index = 712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H", + kinetics = ArrheniusBM(A=(1.32214e-14,'m^3/(mol*s)'), n=5.93016, w0=(411.054,'kJ/mol'), E0=(15.8325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18383549011252714, var=10.250902107472326, Tref=1000.0, N=469, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H',), comment="""BM rule fitted to 469 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H + Total Standard Deviation in ln(k): 6.880464530135118"""), + rank = 11, + shortDesc = """BM rule fitted to 469 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H +Total Standard Deviation in ln(k): 6.880464530135118""", + longDesc = +""" +BM rule fitted to 469 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H +Total Standard Deviation in ln(k): 6.880464530135118 +""", +) + +entry( + index = 713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(6.78451e-15,'m^3/(mol*s)'), n=6.01835, w0=(411,'kJ/mol'), E0=(15.9181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18654984760810142, var=9.909389261730306, Tref=1000.0, N=455, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R',), comment="""BM rule fitted to 455 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 6.779460331663956"""), + rank = 11, + shortDesc = """BM rule fitted to 455 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.779460331663956""", + longDesc = +""" +BM rule fitted to 455 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.779460331663956 +""", +) + +entry( + index = 714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_Sp-6R!H#1BrBrBrCCCClClClNNN", + kinetics = ArrheniusBM(A=(1.19039e+07,'m^3/(mol*s)'), n=-0.173364, w0=(411,'kJ/mol'), E0=(28.9013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_Sp-6R!H#1BrBrBrCCCClClClNNN',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_Sp-6R!H#1BrBrBrCCCClClClNNN + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_Sp-6R!H#1BrBrBrCCCClClClNNN +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_Sp-6R!H#1BrBrBrCCCClClClNNN +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN", + kinetics = ArrheniusBM(A=(5.93941e-15,'m^3/(mol*s)'), n=6.03504, w0=(411,'kJ/mol'), E0=(15.7627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18751170727659341, var=9.869451290456404, Tref=1000.0, N=454, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN',), comment="""BM rule fitted to 454 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN + Total Standard Deviation in ln(k): 6.769147082237723"""), + rank = 11, + shortDesc = """BM rule fitted to 454 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN +Total Standard Deviation in ln(k): 6.769147082237723""", + longDesc = +""" +BM rule fitted to 454 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN +Total Standard Deviation in ln(k): 6.769147082237723 +""", +) + +entry( + index = 716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN", + kinetics = ArrheniusBM(A=(7.54762e-13,'m^3/(mol*s)'), n=5.36411, w0=(411,'kJ/mol'), E0=(27.415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09519066625803772, var=7.315559894113542, Tref=1000.0, N=411, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN',), comment="""BM rule fitted to 411 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN + Total Standard Deviation in ln(k): 5.661437974337189"""), + rank = 11, + shortDesc = """BM rule fitted to 411 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN +Total Standard Deviation in ln(k): 5.661437974337189""", + longDesc = +""" +BM rule fitted to 411 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN +Total Standard Deviation in ln(k): 5.661437974337189 +""", +) + +entry( + index = 717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.40563e-11,'m^3/(mol*s)'), n=4.9637, w0=(411,'kJ/mol'), E0=(33.2817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08418955453617225, var=7.841936964695769, Tref=1000.0, N=307, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R',), comment="""BM rule fitted to 307 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.825483128845988"""), + rank = 11, + shortDesc = """BM rule fitted to 307 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.825483128845988""", + longDesc = +""" +BM rule fitted to 307 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.825483128845988 +""", +) + +entry( + index = 718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.28938e-11,'m^3/(mol*s)'), n=5.05633, w0=(411,'kJ/mol'), E0=(45.122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010441366280371043, var=10.348754990240792, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.475363259496537"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.475363259496537""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.475363259496537 +""", +) + +entry( + index = 719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(1.38451e-12,'m^3/(mol*s)'), n=5.37117, w0=(411,'kJ/mol'), E0=(51.9672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03882460912633506, var=6.726877922864426, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C + Total Standard Deviation in ln(k): 5.297075369187226"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 5.297075369187226""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 5.297075369187226 +""", +) + +entry( + index = 720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.11931e-16,'m^3/(mol*s)'), n=6.38096, w0=(411,'kJ/mol'), E0=(48.1474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13133912996048902, var=5.250147428042059, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 4.92348742897103"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.92348742897103""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.92348742897103 +""", +) + +entry( + index = 721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.10767e-17,'m^3/(mol*s)'), n=6.71724, w0=(411,'kJ/mol'), E0=(44.8298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14505131349359854, var=5.909106745340712, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 5.237691735071662"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.237691735071662""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.237691735071662 +""", +) + +entry( + index = 722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN", + kinetics = ArrheniusBM(A=(2.68143e-16,'m^3/(mol*s)'), n=6.43286, w0=(411,'kJ/mol'), E0=(47.8523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10275089486953481, var=6.08409521369819, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN + Total Standard Deviation in ln(k): 5.203039351202259"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN +Total Standard Deviation in ln(k): 5.203039351202259""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN +Total Standard Deviation in ln(k): 5.203039351202259 +""", +) + +entry( + index = 723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(6.01193e-18,'m^3/(mol*s)'), n=6.90649, w0=(411,'kJ/mol'), E0=(44.9201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0942249415261498, var=9.746374764108618, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 6.495365495478477"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.495365495478477""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.495365495478477 +""", +) + +entry( + index = 724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S", + kinetics = ArrheniusBM(A=(2.4102e-10,'m^3/(mol*s)'), n=4.68984, w0=(411,'kJ/mol'), E0=(72.8015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08512076951693866, var=7.503737562362847, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S + Total Standard Deviation in ln(k): 5.705432224300901"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S +Total Standard Deviation in ln(k): 5.705432224300901""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S +Total Standard Deviation in ln(k): 5.705432224300901 +""", +) + +entry( + index = 725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(2.71745e-19,'m^3/(mol*s)'), n=7.34359, w0=(411,'kJ/mol'), E0=(31.7335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09869636271444666, var=13.563945602893396, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C + Total Standard Deviation in ln(k): 7.631272208111957"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C +Total Standard Deviation in ln(k): 7.631272208111957""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C +Total Standard Deviation in ln(k): 7.631272208111957 +""", +) + +entry( + index = 726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_8R!H->C", + kinetics = ArrheniusBM(A=(1.49334e-09,'m^3/(mol*s)'), n=4.44471, w0=(411,'kJ/mol'), E0=(64.8805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021560656298242588, var=9.51312607860214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_8R!H->C + Total Standard Deviation in ln(k): 6.237448266219401"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_8R!H->C +Total Standard Deviation in ln(k): 6.237448266219401""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_8R!H->C +Total Standard Deviation in ln(k): 6.237448266219401 +""", +) + +entry( + index = 727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.02018e-08,'m^3/(mol*s)'), n=4.42207, w0=(411,'kJ/mol'), E0=(94.0901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.032129180781633716, var=57.960710736953395, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_N-8R!H->C + Total Standard Deviation in ln(k): 15.343162048693038"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_N-8R!H->C +Total Standard Deviation in ln(k): 15.343162048693038""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_Sp-8R!H=5C_N-8R!H->C +Total Standard Deviation in ln(k): 15.343162048693038 +""", +) + +entry( + index = 728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(3.79283e-09,'m^3/(mol*s)'), n=4.16681, w0=(411,'kJ/mol'), E0=(71.2236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12643077143447895, var=1.1606158225370526, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 2.4774040666720154"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 2.4774040666720154""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_9R!H->S_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 2.4774040666720154 +""", +) + +entry( + index = 729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(6.87615e-08,'m^3/(mol*s)'), n=4.06291, w0=(411,'kJ/mol'), E0=(71.2618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23614132980201039, var=13.59632112511717, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S + Total Standard Deviation in ln(k): 7.9854175881330995"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S +Total Standard Deviation in ln(k): 7.9854175881330995""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S +Total Standard Deviation in ln(k): 7.9854175881330995 +""", +) + +entry( + index = 730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C", + kinetics = ArrheniusBM(A=(1.20664e-07,'m^3/(mol*s)'), n=3.8939, w0=(411,'kJ/mol'), E0=(65.3174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29504612825349846, var=28.08658925970439, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C + Total Standard Deviation in ln(k): 11.36577276139082"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C +Total Standard Deviation in ln(k): 11.36577276139082""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C +Total Standard Deviation in ln(k): 11.36577276139082 +""", +) + +entry( + index = 731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_Sp-8C=5C", + kinetics = ArrheniusBM(A=(7.57359e-08,'m^3/(mol*s)'), n=4.03296, w0=(411,'kJ/mol'), E0=(70.2859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18545822614309157, var=102.47827068122183, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_Sp-8C=5C + Total Standard Deviation in ln(k): 20.760219714221925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 20.760219714221925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 20.760219714221925 +""", +) + +entry( + index = 732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_N-Sp-8C=5C", + kinetics = ArrheniusBM(A=(1.91917e-07,'m^3/(mol*s)'), n=3.75506, w0=(411,'kJ/mol'), E0=(60.3414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31088028460377537, var=84.44986440418326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_N-Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_N-Sp-8C=5C + Total Standard Deviation in ln(k): 19.20394146532388"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 19.20394146532388""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 19.20394146532388 +""", +) + +entry( + index = 733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.15412e-07,'m^3/(mol*s)'), n=4.01032, w0=(411,'kJ/mol'), E0=(86.8757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19444444013330311, var=2.0539282037077746, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_N-8R!H->C + Total Standard Deviation in ln(k): 3.361646437263704"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 3.361646437263704""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_Ext-1BrCClN-R_N-9R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 3.361646437263704 +""", +) + +entry( + index = 734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C", + kinetics = ArrheniusBM(A=(6.38299e-18,'m^3/(mol*s)'), n=6.79785, w0=(411,'kJ/mol'), E0=(23.4685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.191998360465354, var=2.3179623925356583, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C + Total Standard Deviation in ln(k): 3.534588221647564"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 3.534588221647564""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 3.534588221647564 +""", +) + +entry( + index = 735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(9.9352e-10,'m^3/(mol*s)'), n=4.37291, w0=(411,'kJ/mol'), E0=(49.3954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008613871423626445, var=0.1691127154282954, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 0.846056442503937"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 0.846056442503937""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 0.846056442503937 +""", +) + +entry( + index = 736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_Sp-8C=5C", + kinetics = ArrheniusBM(A=(6.18839e-10,'m^3/(mol*s)'), n=4.51288, w0=(411,'kJ/mol'), E0=(55.7185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05338194627664717, var=0.01798559655460973, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_Sp-8C=5C + Total Standard Deviation in ln(k): 0.40298129510224967"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 0.40298129510224967""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 0.40298129510224967 +""", +) + +entry( + index = 737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_N-Sp-8C=5C", + kinetics = ArrheniusBM(A=(1.56908e-09,'m^3/(mol*s)'), n=4.23498, w0=(411,'kJ/mol'), E0=(42.5339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051867477981982324, var=1.0413041130773417, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_N-Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_N-Sp-8C=5C + Total Standard Deviation in ln(k): 2.1760383663602876"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 2.1760383663602876""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_9R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 2.1760383663602876 +""", +) + +entry( + index = 738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.28951e-08,'m^3/(mol*s)'), n=4.09297, w0=(411,'kJ/mol'), E0=(74.0922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1652991140612022, var=5.1324146253936185, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 4.957018264893029"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 4.957018264893029""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 4.957018264893029 +""", +) + +entry( + index = 739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_Sp-8C=5C", + kinetics = ArrheniusBM(A=(2.13613e-08,'m^3/(mol*s)'), n=4.22788, w0=(411,'kJ/mol'), E0=(69.2843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09901265020054181, var=1.8328971246722594, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_Sp-8C=5C + Total Standard Deviation in ln(k): 2.962876686274274"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 2.962876686274274""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 2.962876686274274 +""", +) + +entry( + index = 740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_N-Sp-8C=5C", + kinetics = ArrheniusBM(A=(5.40506e-08,'m^3/(mol*s)'), n=3.94999, w0=(411,'kJ/mol'), E0=(78.8864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21907529442375048, var=15.312277120504188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_N-Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_N-Sp-8C=5C + Total Standard Deviation in ln(k): 8.395150188580587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 8.395150188580587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_8R!H->C_N-9R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 8.395150188580587 +""", +) + +entry( + index = 741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.72261e-13,'m^3/(mol*s)'), n=5.82542, w0=(411,'kJ/mol'), E0=(70.1443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16412159457621084, var=17.676908282298278, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C + Total Standard Deviation in ln(k): 8.841057029320694"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 8.841057029320694""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 8.841057029320694 +""", +) + +entry( + index = 742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(4.21535e-09,'m^3/(mol*s)'), n=4.49024, w0=(411,'kJ/mol'), E0=(69.5522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017732219498156863, var=79.80427022985293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 17.95350045889468"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 17.95350045889468""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 17.95350045889468 +""", +) + +entry( + index = 743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.45342e-07,'m^3/(mol*s)'), n=4.20525, w0=(411,'kJ/mol'), E0=(101.524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11812165666169992, var=22.4353946036672, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 9.79241943321614"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 9.79241943321614""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_Sp-9R!H-1BrCClN_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 9.79241943321614 +""", +) + +entry( + index = 744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN", + kinetics = ArrheniusBM(A=(5.08415e-08,'m^3/(mol*s)'), n=4.14223, w0=(411,'kJ/mol'), E0=(68.845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08413709252273956, var=9.974952067563276, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN + Total Standard Deviation in ln(k): 6.542984097111862"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN +Total Standard Deviation in ln(k): 6.542984097111862""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN +Total Standard Deviation in ln(k): 6.542984097111862 +""", +) + +entry( + index = 745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C", + kinetics = ArrheniusBM(A=(1.18998e-08,'m^3/(mol*s)'), n=4.22386, w0=(411,'kJ/mol'), E0=(59.5348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10675102793686217, var=20.09251695037306, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C + Total Standard Deviation in ln(k): 9.25437895474975"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 9.25437895474975""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 9.25437895474975 +""", +) + +entry( + index = 746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_Sp-8C=5C", + kinetics = ArrheniusBM(A=(7.4875e-09,'m^3/(mol*s)'), n=4.36263, w0=(411,'kJ/mol'), E0=(64.5434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02137040832405018, var=74.5051178724967, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_Sp-8C=5C + Total Standard Deviation in ln(k): 17.357835383931597"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 17.357835383931597""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 17.357835383931597 +""", +) + +entry( + index = 747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_N-Sp-8C=5C", + kinetics = ArrheniusBM(A=(1.89637e-08,'m^3/(mol*s)'), n=4.08474, w0=(411,'kJ/mol'), E0=(54.5159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2502813514773021, var=61.4776788174964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_N-Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_N-Sp-8C=5C + Total Standard Deviation in ln(k): 16.347514860767202"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 16.347514860767202""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 16.347514860767202 +""", +) + +entry( + index = 748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.1e-08,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(84.0984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.771561172368073e-16, var=3.2126606884158534e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_N-8R!H->C + Total Standard Deviation in ln(k): 1.1558171486387704e-13"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 1.1558171486387704e-13""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-Sp-9R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 1.1558171486387704e-13 +""", +) + +entry( + index = 749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.97426e-10,'m^3/(mol*s)'), n=4.46589, w0=(411,'kJ/mol'), E0=(56.1135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041042660167766365, var=7.753650660399113, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C + Total Standard Deviation in ln(k): 5.6853828279976"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 5.6853828279976""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 5.6853828279976 +""", +) + +entry( + index = 750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C", + kinetics = ArrheniusBM(A=(3.11903e-10,'m^3/(mol*s)'), n=4.60509, w0=(411,'kJ/mol'), E0=(61.1962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13274872671798166, var=30.410729874072988, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C + Total Standard Deviation in ln(k): 11.388836433592902"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 11.388836433592902""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 11.388836433592902 +""", +) + +entry( + index = 751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C", + kinetics = ArrheniusBM(A=(7.90058e-10,'m^3/(mol*s)'), n=4.32719, w0=(411,'kJ/mol'), E0=(50.996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.045930336346485745, var=21.917403164071356, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C + Total Standard Deviation in ln(k): 9.50077586139484"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 9.50077586139484""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 9.50077586139484 +""", +) + +entry( + index = 752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.12176e-09,'m^3/(mol*s)'), n=4.58245, w0=(411,'kJ/mol'), E0=(77.0741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1081709840993109, var=9.825641556756278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-8R!H->C + Total Standard Deviation in ln(k): 6.555804789715343"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.555804789715343""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.555804789715343 +""", +) + +entry( + index = 753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.54991e-08,'m^3/(mol*s)'), n=4.22584, w0=(411,'kJ/mol'), E0=(42.3641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12837325639721212, var=10.030454404579077, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 6.6717208106286146"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.6717208106286146""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.6717208106286146 +""", +) + +entry( + index = 754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(1.67238e-08,'m^3/(mol*s)'), n=4.1858, w0=(411,'kJ/mol'), E0=(37.9634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17132812274513934, var=11.392811230704998, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 7.19710283095256"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 7.19710283095256""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 7.19710283095256 +""", +) + +entry( + index = 755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.39089e-09,'m^3/(mol*s)'), n=4.48663, w0=(411,'kJ/mol'), E0=(38.6861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0951078032887639, var=26.44395696464985, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 10.548051461561686"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.548051461561686""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.548051461561686 +""", +) + +entry( + index = 756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_8R!H->S", + kinetics = ArrheniusBM(A=(4.13265e-09,'m^3/(mol*s)'), n=4.32874, w0=(411,'kJ/mol'), E0=(38.5734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11599727087262277, var=8.719730530023034, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_8R!H->S + Total Standard Deviation in ln(k): 6.211270698598719"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 6.211270698598719""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 6.211270698598719 +""", +) + +entry( + index = 757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.81949e-07,'m^3/(mol*s)'), n=3.90256, w0=(411,'kJ/mol'), E0=(45.632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25150340870676235, var=97.41014482159291, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_N-8R!H->S + Total Standard Deviation in ln(k): 20.417967278696924"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 20.417967278696924""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 20.417967278696924 +""", +) + +entry( + index = 758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C", + kinetics = ArrheniusBM(A=(0.00218189,'m^3/(mol*s)'), n=2.64075, w0=(411,'kJ/mol'), E0=(15.4964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1650397548043389, var=0.20512902610127, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C + Total Standard Deviation in ln(k): 1.3226407627848273"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 1.3226407627848273""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 1.3226407627848273 +""", +) + +entry( + index = 759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C", + kinetics = ArrheniusBM(A=(7.39247e-08,'m^3/(mol*s)'), n=4.09749, w0=(411,'kJ/mol'), E0=(58.2609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17123550204314053, var=33.5146330281716, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C + Total Standard Deviation in ln(k): 12.036017010631742"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 12.036017010631742""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 12.036017010631742 +""", +) + +entry( + index = 760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(3.93469e-08,'m^3/(mol*s)'), n=4.23224, w0=(411,'kJ/mol'), E0=(52.1748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07534937860813311, var=70.1119433540185, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 16.975543186732434"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 16.975543186732434""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 16.975543186732434 +""", +) + +entry( + index = 761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0107768,'m^3/(mol*s)'), n=2.3513, w0=(411,'kJ/mol'), E0=(31.6621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5320446485483515, var=25.309681754507345, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 11.422362895908512"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.422362895908512""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.422362895908512 +""", +) + +entry( + index = 762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.0269628,'m^3/(mol*s)'), n=2.23818, w0=(411,'kJ/mol'), E0=(29.1804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45259982217814265, var=29.195714692974832, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 11.969382362642783"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.969382362642783""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.969382362642783 +""", +) + +entry( + index = 763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(2.14335,'m^3/(mol*s)'), n=1.61509, w0=(411,'kJ/mol'), E0=(7.13752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03473827687342355, var=27.4151901220579, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 10.58397812340124"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 10.58397812340124""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 10.58397812340124 +""", +) + +entry( + index = 764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S", + kinetics = ArrheniusBM(A=(0.00537864,'m^3/(mol*s)'), n=2.30618, w0=(411,'kJ/mol'), E0=(20.6457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1843429023547794, var=43.91572675778503, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S + Total Standard Deviation in ln(k): 13.748340381407756"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S +Total Standard Deviation in ln(k): 13.748340381407756""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S +Total Standard Deviation in ln(k): 13.748340381407756 +""", +) + +entry( + index = 765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.369721,'m^3/(mol*s)'), n=1.68299, w0=(411,'kJ/mol'), E0=(16.9603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36701056665120557, var=108.04828239488545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 21.7606116154832"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 21.7606116154832""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 21.7606116154832 +""", +) + +entry( + index = 766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S", + kinetics = ArrheniusBM(A=(854.109,'m^3/(mol*s)'), n=0.924003, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27070756670180096, var=31.11844356380072, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S + Total Standard Deviation in ln(k): 11.863365414195343"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S +Total Standard Deviation in ln(k): 11.863365414195343""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S +Total Standard Deviation in ln(k): 11.863365414195343 +""", +) + +entry( + index = 767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.00100333,'m^3/(mol*s)'), n=2.65841, w0=(411,'kJ/mol'), E0=(1.37986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5345131926292925, var=160.29479624831333, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 26.72446388694809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 26.72446388694809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 26.72446388694809 +""", +) + +entry( + index = 768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(6.77171e-07,'m^3/(mol*s)'), n=3.87061, w0=(411,'kJ/mol'), E0=(51.3786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38309259600527185, var=124.18469560170847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 23.302948489550893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 23.302948489550893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-7R!H->C_N-5R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 23.302948489550893 +""", +) + +entry( + index = 769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(2.46522e-05,'m^3/(mol*s)'), n=3.16172, w0=(411,'kJ/mol'), E0=(57.4262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12738428692063825, var=9.13405370242655, Tref=1000.0, N=225, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 225 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 6.378891058712144"""), + rank = 11, + shortDesc = """BM rule fitted to 225 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 6.378891058712144""", + longDesc = +""" +BM rule fitted to 225 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 6.378891058712144 +""", +) + +entry( + index = 770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.43998e-05,'m^3/(mol*s)'), n=3.03234, w0=(411,'kJ/mol'), E0=(13.0886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15317634835593855, var=17.59723929076567, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C + Total Standard Deviation in ln(k): 8.794541104415718"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C +Total Standard Deviation in ln(k): 8.794541104415718""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C +Total Standard Deviation in ln(k): 8.794541104415718 +""", +) + +entry( + index = 771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing", + kinetics = ArrheniusBM(A=(5.74066e-07,'m^3/(mol*s)'), n=3.33746, w0=(411,'kJ/mol'), E0=(11.7349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07138463946952353, var=17.727076332488245, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing + Total Standard Deviation in ln(k): 8.62000167781838"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing +Total Standard Deviation in ln(k): 8.62000167781838""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing +Total Standard Deviation in ln(k): 8.62000167781838 +""", +) + +entry( + index = 772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(5.89601e-05,'m^3/(mol*s)'), n=2.71098, w0=(411,'kJ/mol'), E0=(7.62357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13303648787168304, var=21.242902779758065, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 9.57409124072153"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 9.57409124072153""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 9.57409124072153 +""", +) + +entry( + index = 773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.00479346,'m^3/(mol*s)'), n=2.07151, w0=(411,'kJ/mol'), E0=(3.02001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1899306482921853, var=41.07792416535567, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 13.325973179556428"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 13.325973179556428""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 13.325973179556428 +""", +) + +entry( + index = 774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S", + kinetics = ArrheniusBM(A=(3.76079,'m^3/(mol*s)'), n=1.16091, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32362285096373117, var=133.0898923446487, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S + Total Standard Deviation in ln(k): 23.940667296125216"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 23.940667296125216""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 23.940667296125216 +""", +) + +entry( + index = 775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(6.10969e-06,'m^3/(mol*s)'), n=2.9821, w0=(411,'kJ/mol'), E0=(7.24776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2179636559511143, var=146.33195919152809, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S + Total Standard Deviation in ln(k): 24.79847602810548"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 24.79847602810548""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 24.79847602810548 +""", +) + +entry( + index = 776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_8R!H->C", + kinetics = ArrheniusBM(A=(5.23513e-08,'m^3/(mol*s)'), n=3.7605, w0=(411,'kJ/mol'), E0=(14.322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18636863424223474, var=57.40780237346649, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_8R!H->C + Total Standard Deviation in ln(k): 15.657726951903658"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_8R!H->C +Total Standard Deviation in ln(k): 15.657726951903658""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_8R!H->C +Total Standard Deviation in ln(k): 15.657726951903658 +""", +) + +entry( + index = 777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.00463e-05,'m^3/(mol*s)'), n=2.94043, w0=(411,'kJ/mol'), E0=(10.1323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23772051115375217, var=128.0592798526739, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_N-8R!H->C + Total Standard Deviation in ln(k): 23.283527445143203"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_N-8R!H->C +Total Standard Deviation in ln(k): 23.283527445143203""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_6R!H-inRing_Ext-1BrCClN-R_N-8R!H->C +Total Standard Deviation in ln(k): 23.283527445143203 +""", +) + +entry( + index = 778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(31.6866,'m^3/(mol*s)'), n=1.2425, w0=(411,'kJ/mol'), E0=(44.5504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4462298528747223, var=16.068911261769244, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing + Total Standard Deviation in ln(k): 9.157370893564426"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing +Total Standard Deviation in ln(k): 9.157370893564426""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing +Total Standard Deviation in ln(k): 9.157370893564426 +""", +) + +entry( + index = 779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(9.62056,'m^3/(mol*s)'), n=1.329, w0=(411,'kJ/mol'), E0=(40.394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3610687611320862, var=23.849240208843575, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 10.69746879457881"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 10.69746879457881""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 10.69746879457881 +""", +) + +entry( + index = 780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(2.58165,'m^3/(mol*s)'), n=1.48629, w0=(411,'kJ/mol'), E0=(33.4892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33969975951031345, var=23.58097233064503, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 10.588559302381258"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.588559302381258""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.588559302381258 +""", +) + +entry( + index = 781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.0378946,'m^3/(mol*s)'), n=1.94674, w0=(411,'kJ/mol'), E0=(18.7395,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2934910746476209, var=28.044072954520953, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C + Total Standard Deviation in ln(k): 11.353821121172864"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C +Total Standard Deviation in ln(k): 11.353821121172864""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C +Total Standard Deviation in ln(k): 11.353821121172864 +""", +) + +entry( + index = 782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN", + kinetics = ArrheniusBM(A=(9.52166,'m^3/(mol*s)'), n=1.15419, w0=(411,'kJ/mol'), E0=(2.60214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25032894941940537, var=32.437968298725366, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN + Total Standard Deviation in ln(k): 12.046803504045444"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 12.046803504045444""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 12.046803504045444 +""", +) + +entry( + index = 783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.26023e+07,'m^3/(mol*s)'), n=-0.672074, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4273007626826458, var=57.66953989818447, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R + Total Standard Deviation in ln(k): 16.297671094997796"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R +Total Standard Deviation in ln(k): 16.297671094997796""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R +Total Standard Deviation in ln(k): 16.297671094997796 +""", +) + +entry( + index = 784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(4.08674e+13,'m^3/(mol*s)'), n=-2.62645, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6192739892637684, var=94.21504342597821, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 21.01481235255532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 21.01481235255532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-8C-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 21.01481235255532 +""", +) + +entry( + index = 785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.000448181,'m^3/(mol*s)'), n=2.33011, w0=(411,'kJ/mol'), E0=(12.9079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23454173846222562, var=72.3372443153842, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 17.639834241861816"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 17.639834241861816""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 17.639834241861816 +""", +) + +entry( + index = 786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_9R!H->C", + kinetics = ArrheniusBM(A=(0.256282,'m^3/(mol*s)'), n=1.49012, w0=(411,'kJ/mol'), E0=(3.79088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3109245538007029, var=262.02598634813046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_9R!H->C + Total Standard Deviation in ln(k): 33.2322987106221"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_9R!H->C +Total Standard Deviation in ln(k): 33.2322987106221""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_9R!H->C +Total Standard Deviation in ln(k): 33.2322987106221 +""", +) + +entry( + index = 787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.73746e-07,'m^3/(mol*s)'), n=3.40755, w0=(411,'kJ/mol'), E0=(38.9596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Ext-1BrCClN-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN", + kinetics = ArrheniusBM(A=(3.89148e-07,'m^3/(mol*s)'), n=3.84797, w0=(411,'kJ/mol'), E0=(33.3281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3132811713094585, var=5.760576339653021, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN + Total Standard Deviation in ln(k): 5.598743511171909"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 5.598743511171909""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 5.598743511171909 +""", +) + +entry( + index = 789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.069966,'m^3/(mol*s)'), n=2.11351, w0=(411,'kJ/mol'), E0=(10.4235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17299815284468165, var=29.046094080805172, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.239073826362729"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.239073826362729""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.239073826362729 +""", +) + +entry( + index = 790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi", + kinetics = ArrheniusBM(A=(0.000157218,'m^3/(mol*s)'), n=2.71962, w0=(411,'kJ/mol'), E0=(12.5195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2984891063573392, var=96.67539942896836, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi + Total Standard Deviation in ln(k): 20.461259427838783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi +Total Standard Deviation in ln(k): 20.461259427838783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi +Total Standard Deviation in ln(k): 20.461259427838783 +""", +) + +entry( + index = 791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi", + kinetics = ArrheniusBM(A=(31.1366,'m^3/(mol*s)'), n=1.50739, w0=(411,'kJ/mol'), E0=(8.32748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2905419468782663, var=43.9111646862817, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi + Total Standard Deviation in ln(k): 14.014482086053693"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi +Total Standard Deviation in ln(k): 14.014482086053693""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8BrClFINOPSSi-1BrBrCClClFINNOPSSi +Total Standard Deviation in ln(k): 14.014482086053693 +""", +) + +entry( + index = 792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2145.79,'m^3/(mol*s)'), n=0.776366, w0=(411,'kJ/mol'), E0=(51.7896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4430915291102042, var=13.135552354486917, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 8.379057155929928"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.379057155929928""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.379057155929928 +""", +) + +entry( + index = 793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1717.14,'m^3/(mol*s)'), n=0.790073, w0=(411,'kJ/mol'), E0=(48.5098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.426624042946536, var=14.626363669187901, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 8.73891458457609"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 8.73891458457609""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 8.73891458457609 +""", +) + +entry( + index = 794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(4.00953,'m^3/(mol*s)'), n=1.45229, w0=(411,'kJ/mol'), E0=(0.0244214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24318719376484432, var=12.224026970964697, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 7.6201534891507805"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 7.6201534891507805""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 7.6201534891507805 +""", +) + +entry( + index = 795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.26219e+07,'m^3/(mol*s)'), n=-0.484437, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.43279128211154794, var=13.415746032989295, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R + Total Standard Deviation in ln(k): 8.430261004491209"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R +Total Standard Deviation in ln(k): 8.430261004491209""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R +Total Standard Deviation in ln(k): 8.430261004491209 +""", +) + +entry( + index = 796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.04592e+09,'m^3/(mol*s)'), n=-1.16338, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47831307764825964, var=76.73984407696805, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 18.76352770814768"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 18.76352770814768""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_Ext-8R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 18.76352770814768 +""", +) + +entry( + index = 797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S", + kinetics = ArrheniusBM(A=(0.65826,'m^3/(mol*s)'), n=1.69002, w0=(411,'kJ/mol'), E0=(3.29308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22297724799879023, var=13.714453815248628, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S + Total Standard Deviation in ln(k): 7.984385958964729"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S +Total Standard Deviation in ln(k): 7.984385958964729""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S +Total Standard Deviation in ln(k): 7.984385958964729 +""", +) + +entry( + index = 798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(236.088,'m^3/(mol*s)'), n=0.910471, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28331548796888745, var=53.851114565361335, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 15.423259259658327"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 15.423259259658327""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 15.423259259658327 +""", +) + +entry( + index = 799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S", + kinetics = ArrheniusBM(A=(7.75817e-06,'m^3/(mol*s)'), n=3.15129, w0=(411,'kJ/mol'), E0=(12.5682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07887200906120714, var=32.48466821892545, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S + Total Standard Deviation in ln(k): 11.624223164930068"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S +Total Standard Deviation in ln(k): 11.624223164930068""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S +Total Standard Deviation in ln(k): 11.624223164930068 +""", +) + +entry( + index = 800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.0100605,'m^3/(mol*s)'), n=2.20047, w0=(411,'kJ/mol'), E0=(6.53328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22884167943114217, var=117.50235243006121, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 22.306007030308766"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 22.306007030308766""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 22.306007030308766 +""", +) + +entry( + index = 801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(4.60503e-22,'m^3/(mol*s)'), n=8.10555, w0=(411,'kJ/mol'), E0=(0.0471534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3840291192190901, var=19.18383577741099, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 9.745507799582816"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 9.745507799582816""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 9.745507799582816 +""", +) + +entry( + index = 802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C", + kinetics = ArrheniusBM(A=(2.90829e-08,'m^3/(mol*s)'), n=4.12587, w0=(411,'kJ/mol'), E0=(21.8873,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1122963185905838, var=10.851817676675827, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C + Total Standard Deviation in ln(k): 6.886169331412994"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 6.886169331412994""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 6.886169331412994 +""", +) + +entry( + index = 803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.42355e-07,'m^3/(mol*s)'), n=3.97959, w0=(411,'kJ/mol'), E0=(77.9897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2091051702064624, var=47.069621818875326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C + Total Standard Deviation in ln(k): 14.279336793154172"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 14.279336793154172""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-5R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 14.279336793154172 +""", +) + +entry( + index = 804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.1512e-10,'m^3/(mol*s)'), n=4.54713, w0=(411,'kJ/mol'), E0=(57.4384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03211978104426214, var=6.090403888393182, Tref=1000.0, N=135, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 135 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.0281372763957535"""), + rank = 11, + shortDesc = """BM rule fitted to 135 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.0281372763957535""", + longDesc = +""" +BM rule fitted to 135 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.0281372763957535 +""", +) + +entry( + index = 805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(5.4709e-11,'m^3/(mol*s)'), n=4.82105, w0=(411,'kJ/mol'), E0=(52.6635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0439512454741866, var=6.30812679712768, Tref=1000.0, N=117, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 117 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 5.145519787267485"""), + rank = 11, + shortDesc = """BM rule fitted to 117 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.145519787267485""", + longDesc = +""" +BM rule fitted to 117 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.145519787267485 +""", +) + +entry( + index = 806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S", + kinetics = ArrheniusBM(A=(0.111385,'m^3/(mol*s)'), n=2.19442, w0=(411,'kJ/mol'), E0=(79.3425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20673577436777266, var=8.9871292820681, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S + Total Standard Deviation in ln(k): 6.529339916000793"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S +Total Standard Deviation in ln(k): 6.529339916000793""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S +Total Standard Deviation in ln(k): 6.529339916000793 +""", +) + +entry( + index = 807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN", + kinetics = ArrheniusBM(A=(1.13311e-06,'m^3/(mol*s)'), n=3.62316, w0=(411,'kJ/mol'), E0=(65.7366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.062381348086867905, var=4.835345183704526, Tref=1000.0, N=33, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN',), comment="""BM rule fitted to 33 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN + Total Standard Deviation in ln(k): 4.5650328807062195"""), + rank = 11, + shortDesc = """BM rule fitted to 33 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN +Total Standard Deviation in ln(k): 4.5650328807062195""", + longDesc = +""" +BM rule fitted to 33 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN +Total Standard Deviation in ln(k): 4.5650328807062195 +""", +) + +entry( + index = 808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing", + kinetics = ArrheniusBM(A=(8.21543e-11,'m^3/(mol*s)'), n=4.69041, w0=(411,'kJ/mol'), E0=(56.4983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12206767120150813, var=3.8337664226480355, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing + Total Standard Deviation in ln(k): 4.231975213235442"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing +Total Standard Deviation in ln(k): 4.231975213235442""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing +Total Standard Deviation in ln(k): 4.231975213235442 +""", +) + +entry( + index = 809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(4.20211e-10,'m^3/(mol*s)'), n=4.38831, w0=(411,'kJ/mol'), E0=(51.6315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0012612635845095578, var=1.0513852723398929, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C + Total Standard Deviation in ln(k): 2.058765809039715"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 2.058765809039715""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 2.058765809039715 +""", +) + +entry( + index = 810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(9.15095e-10,'m^3/(mol*s)'), n=4.21028, w0=(411,'kJ/mol'), E0=(52.5236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07619601224021169, var=1.2992125503190282, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 2.4765045569773623"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 2.4765045569773623""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 2.4765045569773623 +""", +) + +entry( + index = 811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.6768e-09,'m^3/(mol*s)'), n=4.06715, w0=(411,'kJ/mol'), E0=(47.746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1447657002678301, var=2.1836944642109914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 3.3261958545141423"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.3261958545141423""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.3261958545141423 +""", +) + +entry( + index = 812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(6.62152e-10,'m^3/(mol*s)'), n=4.34505, w0=(411,'kJ/mol'), E0=(48.7775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018457180773922638, var=0.5438053446561206, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 1.5247297945481413"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.5247297945481413""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.5247297945481413 +""", +) + +entry( + index = 813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.29232e-09,'m^3/(mol*s)'), n=4.47424, w0=(411,'kJ/mol'), E0=(75.0363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05199317051925763, var=13.371137014913778, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 7.461263728517118"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 7.461263728517118""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 7.461263728517118 +""", +) + +entry( + index = 814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(4.50947e-09,'m^3/(mol*s)'), n=4.32241, w0=(411,'kJ/mol'), E0=(70.2552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023115538258315988, var=51.201197431760036, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 14.402963495029802"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 14.402963495029802""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 14.402963495029802 +""", +) + +entry( + index = 815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(3.60859e-07,'m^3/(mol*s)'), n=3.83343, w0=(411,'kJ/mol'), E0=(62.987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04084643060461214, var=5.308016718606562, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.721365128165651"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.721365128165651""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.721365128165651 +""", +) + +entry( + index = 816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(7.11393e-09,'m^3/(mol*s)'), n=4.22593, w0=(411,'kJ/mol'), E0=(52.639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.022171531461737184, var=1.6658025726356662, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C + Total Standard Deviation in ln(k): 2.6431382255920606"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 2.6431382255920606""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 2.6431382255920606 +""", +) + +entry( + index = 817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(1.40423e-08,'m^3/(mol*s)'), n=4.22111, w0=(411,'kJ/mol'), E0=(52.9504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02972849412365013, var=1.93592403790996, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H + Total Standard Deviation in ln(k): 2.8640327230614084"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H +Total Standard Deviation in ln(k): 2.8640327230614084""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H +Total Standard Deviation in ln(k): 2.8640327230614084 +""", +) + +entry( + index = 818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(4.23337e-08,'m^3/(mol*s)'), n=4.07181, w0=(411,'kJ/mol'), E0=(49.7903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018211278825585608, var=2.1679450289683833, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 2.9975175199022392"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 2.9975175199022392""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 2.9975175199022392 +""", +) + +entry( + index = 819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.36372e-09,'m^3/(mol*s)'), n=4.3916, w0=(411,'kJ/mol'), E0=(43.73,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.77308e-09,'m^3/(mol*s)'), n=4.39244, w0=(411,'kJ/mol'), E0=(47.609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014632263521925783, var=6.256049826541505, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.051027247883245"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.051027247883245""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Ext-1BrCClN-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.051027247883245 +""", +) + +entry( + index = 821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.25656e-09,'m^3/(mol*s)'), n=4.52208, w0=(411,'kJ/mol'), E0=(55.4334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.037542097136655954, var=8.360288283890002, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.890850579368386"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.890850579368386""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.890850579368386 +""", +) + +entry( + index = 822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.10488e-10,'m^3/(mol*s)'), n=4.678, w0=(411,'kJ/mol'), E0=(49.6962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14792928907538408, var=13.94322317951207, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 7.857487820023854"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.857487820023854""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_Sp-8C=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.857487820023854 +""", +) + +entry( + index = 823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(3.69232e-09,'m^3/(mol*s)'), n=4.22774, w0=(411,'kJ/mol'), E0=(52.3575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07177065706495146, var=0.9007620273461288, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 2.082991947735609"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 2.082991947735609""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 2.082991947735609 +""", +) + +entry( + index = 824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3.86831e-08,'m^3/(mol*s)'), n=3.94773, w0=(411,'kJ/mol'), E0=(62.5119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13211559832866154, var=0.4993309580964135, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.7485617815288006"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.7485617815288006""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.7485617815288006 +""", +) + +entry( + index = 825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.19337e-07,'m^3/(mol*s)'), n=3.83581, w0=(411,'kJ/mol'), E0=(62.6193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.54655e-08,'m^3/(mol*s)'), n=3.97822, w0=(411,'kJ/mol'), E0=(49.2392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07163919537369033, var=0.6253070667204881, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.7652694996399387"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.7652694996399387""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.7652694996399387 +""", +) + +entry( + index = 827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(7.02937e-09,'m^3/(mol*s)'), n=4.11455, w0=(411,'kJ/mol'), E0=(42.6484,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09060141368069902, var=1.7346590630369982, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 2.8680072714993567"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 2.8680072714993567""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_8R!H->C_N-Sp-8C=5R!H_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 2.8680072714993567 +""", +) + +entry( + index = 828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.04859e-07,'m^3/(mol*s)'), n=3.92575, w0=(411,'kJ/mol'), E0=(75.5782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007686362453813899, var=16.729679322475672, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 8.219065982505423"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 8.219065982505423""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 8.219065982505423 +""", +) + +entry( + index = 829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.4291e-06,'m^3/(mol*s)'), n=3.72342, w0=(411,'kJ/mol'), E0=(65.7617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07654332994860624, var=31.59346261670831, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 11.460547326578334"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.460547326578334""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.460547326578334 +""", +) + +entry( + index = 830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.33625e-08,'m^3/(mol*s)'), n=4.34633, w0=(411,'kJ/mol'), E0=(41.9876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.88532e-08,'m^3/(mol*s)'), n=4.36981, w0=(411,'kJ/mol'), E0=(65.732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02412519883810392, var=101.58563981735252, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 20.266281134179952"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 20.266281134179952""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Ext-1BrCClN-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 20.266281134179952 +""", +) + +entry( + index = 832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.5579e-09,'m^3/(mol*s)'), n=4.49945, w0=(411,'kJ/mol'), E0=(82.8204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026088832998557854, var=59.2236884934114, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 15.493375239657027"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 15.493375239657027""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 15.493375239657027 +""", +) + +entry( + index = 833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.78794e-09,'m^3/(mol*s)'), n=4.65537, w0=(411,'kJ/mol'), E0=(72.5051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11931963106888156, var=99.35486031602468, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 20.28237749879549"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 20.28237749879549""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_Sp-9S-1BrCClN_N-6R!H-inRing_N-8R!H->C_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 20.28237749879549 +""", +) + +entry( + index = 834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN", + kinetics = ArrheniusBM(A=(4.84395e+06,'m^3/(mol*s)'), n=0.0105766, w0=(411,'kJ/mol'), E0=(99.3225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4323556696434498, var=25.295212929812383, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN + Total Standard Deviation in ln(k): 11.16900484653163"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN +Total Standard Deviation in ln(k): 11.16900484653163""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN +Total Standard Deviation in ln(k): 11.16900484653163 +""", +) + +entry( + index = 835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000487779,'m^3/(mol*s)'), n=2.83343, w0=(411,'kJ/mol'), E0=(48.2908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0014243837869977697, var=35.73240615370259, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.987201369655601"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.987201369655601""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.987201369655601 +""", +) + +entry( + index = 836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C", + kinetics = ArrheniusBM(A=(2.9465e-07,'m^3/(mol*s)'), n=3.65671, w0=(411,'kJ/mol'), E0=(20.3712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0935868015051207, var=25.623325150278127, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C + Total Standard Deviation in ln(k): 10.383008936971004"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C +Total Standard Deviation in ln(k): 10.383008936971004""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C +Total Standard Deviation in ln(k): 10.383008936971004 +""", +) + +entry( + index = 837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(2.32431e-09,'m^3/(mol*s)'), n=4.34042, w0=(411,'kJ/mol'), E0=(26.3189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14899456244931517, var=80.36398233199742, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H + Total Standard Deviation in ln(k): 18.3459983523542"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H +Total Standard Deviation in ln(k): 18.3459983523542""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H +Total Standard Deviation in ln(k): 18.3459983523542 +""", +) + +entry( + index = 838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(4.77323e-05,'m^3/(mol*s)'), n=2.94249, w0=(411,'kJ/mol'), E0=(15.4315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24974797402743287, var=95.56159453113666, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 20.22491768120792"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 20.22491768120792""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 20.22491768120792 +""", +) + +entry( + index = 839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.57929e-08,'m^3/(mol*s)'), n=4.31778, w0=(411,'kJ/mol'), E0=(43.4661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2942380432491562, var=315.9411597157395, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_N-8R!H->C + Total Standard Deviation in ln(k): 36.37292379646479"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 36.37292379646479""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_Sp-7R!H=6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 36.37292379646479 +""", +) + +entry( + index = 840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.58278e-05,'m^3/(mol*s)'), n=3.13247, w0=(411,'kJ/mol'), E0=(90.9987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10232033702644176, var=19.390825713927548, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 9.084940252030583"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 9.084940252030583""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 9.084940252030583 +""", +) + +entry( + index = 841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C", + kinetics = ArrheniusBM(A=(2.52619e-09,'m^3/(mol*s)'), n=4.33167, w0=(411,'kJ/mol'), E0=(84.2709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01655328061732927, var=24.019791006746935, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C + Total Standard Deviation in ln(k): 9.866795727787672"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C +Total Standard Deviation in ln(k): 9.866795727787672""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C +Total Standard Deviation in ln(k): 9.866795727787672 +""", +) + +entry( + index = 842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(1.5739e-09,'m^3/(mol*s)'), n=4.47162, w0=(411,'kJ/mol'), E0=(96.148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08220871243158634, var=107.68404947159429, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H + Total Standard Deviation in ln(k): 21.00987595932015"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H +Total Standard Deviation in ln(k): 21.00987595932015""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_Sp-8C=5R!H +Total Standard Deviation in ln(k): 21.00987595932015 +""", +) + +entry( + index = 843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(3.99042e-09,'m^3/(mol*s)'), n=4.19372, w0=(411,'kJ/mol'), E0=(72.3289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10982645904924868, var=43.056420453503385, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 13.430494486247929"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 13.430494486247929""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_8R!H->C_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 13.430494486247929 +""", +) + +entry( + index = 844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.07163e-08,'m^3/(mol*s)'), n=4.44898, w0=(411,'kJ/mol'), E0=(71.389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05388804777846603, var=30.219113213748795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_N-8R!H->C + Total Standard Deviation in ln(k): 11.155809518118632"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.155809518118632""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_9R!H->S_N-Sp-9S-1BrCClN_N-Sp-7R!H=6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.155809518118632 +""", +) + +entry( + index = 845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(2.768e-20,'m^3/(mol*s)'), n=7.45916, w0=(411,'kJ/mol'), E0=(11.7614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30865484259154324, var=3.878626138553248, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S',), comment="""BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S + Total Standard Deviation in ln(k): 4.723685635716194"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S +Total Standard Deviation in ln(k): 4.723685635716194""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S +Total Standard Deviation in ln(k): 4.723685635716194 +""", +) + +entry( + index = 846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(1.7566e-17,'m^3/(mol*s)'), n=6.70776, w0=(411,'kJ/mol'), E0=(25.7658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27294398447184953, var=3.852076891520983, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 4.620424017402245"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 4.620424017402245""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 4.620424017402245 +""", +) + +entry( + index = 847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C", + kinetics = ArrheniusBM(A=(8.93485e-18,'m^3/(mol*s)'), n=6.69286, w0=(411,'kJ/mol'), E0=(12.2045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21518705482750147, var=2.2197757588450533, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C + Total Standard Deviation in ln(k): 3.5275081226642673"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C +Total Standard Deviation in ln(k): 3.5275081226642673""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C +Total Standard Deviation in ln(k): 3.5275081226642673 +""", +) + +entry( + index = 848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(2.35614e-10,'m^3/(mol*s)'), n=4.56435, w0=(411,'kJ/mol'), E0=(46.4863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0051944232303834615, var=2.7487138488323226, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 3.336750837073133"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 3.336750837073133""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 3.336750837073133 +""", +) + +entry( + index = 849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(2.06718e-18,'m^3/(mol*s)'), n=6.95378, w0=(411,'kJ/mol'), E0=(18.7252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16982997040414446, var=2.8718302788953918, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + Total Standard Deviation in ln(k): 3.8240278321006897"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 3.8240278321006897""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 3.8240278321006897 +""", +) + +entry( + index = 850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(1.57747e-11,'m^3/(mol*s)'), n=4.98612, w0=(411,'kJ/mol'), E0=(50.0732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19547362279865105, var=7.6055133013482665, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 6.019817220115672"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 6.019817220115672""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 6.019817220115672 +""", +) + +entry( + index = 851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(9.04775e-10,'m^3/(mol*s)'), n=4.37648, w0=(411,'kJ/mol'), E0=(54.3075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006210917433882307, var=37.83385581219555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 12.346576752381422"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 12.346576752381422""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 12.346576752381422 +""", +) + +entry( + index = 852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(9.2473e-10,'m^3/(mol*s)'), n=4.43556, w0=(411,'kJ/mol'), E0=(43.8545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027758506336614985, var=0.3947771427000678, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 1.3293459686366957"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.3293459686366957""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.3293459686366957 +""", +) + +entry( + index = 853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(1.74103e-07,'m^3/(mol*s)'), n=3.66145, w0=(411,'kJ/mol'), E0=(52.3022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14128684665268687, var=3.5804305240351844, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 4.1483569204460995"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 4.1483569204460995""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 4.1483569204460995 +""", +) + +entry( + index = 854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(1.07009e-14,'m^3/(mol*s)'), n=5.73199, w0=(411,'kJ/mol'), E0=(18.7731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.058651679341886774, var=5.815079889838495, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 4.981679770109488"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 4.981679770109488""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 4.981679770109488 +""", +) + +entry( + index = 855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(2.2972e-09,'m^3/(mol*s)'), n=4.09859, w0=(411,'kJ/mol'), E0=(42.2197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09537370580911972, var=28.016775251572557, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 10.850870599736094"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.850870599736094""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.850870599736094 +""", +) + +entry( + index = 856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(2.3488e-09,'m^3/(mol*s)'), n=4.15767, w0=(411,'kJ/mol'), E0=(46.6814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09860905412608434, var=14.651339694447762, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 7.921299621515803"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 7.921299621515803""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 7.921299621515803 +""", +) + +entry( + index = 857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(5.12459e-10,'m^3/(mol*s)'), n=4.47895, w0=(411,'kJ/mol'), E0=(31.5018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1147269927811314, var=0.07109112120487561, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 0.8227796515649232"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 0.8227796515649232""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 0.8227796515649232 +""", +) + +entry( + index = 858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(3.21834e-10,'m^3/(mol*s)'), n=4.6179, w0=(411,'kJ/mol'), E0=(36.6444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22877249996148194, var=0.45703104278021084, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + Total Standard Deviation in ln(k): 1.9300878031521191"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 1.9300878031521191""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 1.9300878031521191 +""", +) + +entry( + index = 859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(8.16e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(26.3592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-8.881784197003035e-16, var=7.124400050277277e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 5.574113432307999e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 5.574113432307999e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 5.574113432307999e-14 +""", +) + +entry( + index = 860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.72543e-20,'m^3/(mol*s)'), n=7.76755, w0=(411,'kJ/mol'), E0=(29.4954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2613804296651659, var=9.157630322890691, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C + Total Standard Deviation in ln(k): 6.723379204907467"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 6.723379204907467""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 6.723379204907467 +""", +) + +entry( + index = 861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.50321e-09,'m^3/(mol*s)'), n=4.56026, w0=(411,'kJ/mol'), E0=(67.1133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005062902186474454, var=4.566884252885767, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 4.296893779595936"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.296893779595936""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.296893779595936 +""", +) + +entry( + index = 862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(6.16796e-09,'m^3/(mol*s)'), n=4.35385, w0=(411,'kJ/mol'), E0=(68.6214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0033657388442668527, var=6.147021076374781, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 4.978833739673304"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 4.978833739673304""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 4.978833739673304 +""", +) + +entry( + index = 863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(1.38715e-09,'m^3/(mol*s)'), n=4.75091, w0=(411,'kJ/mol'), E0=(68.5486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10526846696496069, var=56.50062460793486, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 15.333465217991344"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 15.333465217991344""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 15.333465217991344 +""", +) + +entry( + index = 864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(1.3786e-08,'m^3/(mol*s)'), n=4.38598, w0=(411,'kJ/mol'), E0=(77.4767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016137839842525026, var=20.900669867528574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 9.20564489391375"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 9.20564489391375""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 9.20564489391375 +""", +) + +entry( + index = 865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(2.19039e-09,'m^3/(mol*s)'), n=4.59526, w0=(411,'kJ/mol'), E0=(53.632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16258849717837262, var=61.506188292228714, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 16.13082529739838"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 16.13082529739838""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 16.13082529739838 +""", +) + +entry( + index = 866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(4.27685e-21,'m^3/(mol*s)'), n=7.65472, w0=(411,'kJ/mol'), E0=(10.5339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.338414319116302, var=4.210271613216857, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 4.963792393668731"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 4.963792393668731""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 4.963792393668731 +""", +) + +entry( + index = 867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C", + kinetics = ArrheniusBM(A=(6.6863e-20,'m^3/(mol*s)'), n=7.21358, w0=(411,'kJ/mol'), E0=(7.94367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26069915512475705, var=3.357050602447427, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C + Total Standard Deviation in ln(k): 4.328149907216134"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C +Total Standard Deviation in ln(k): 4.328149907216134""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C +Total Standard Deviation in ln(k): 4.328149907216134 +""", +) + +entry( + index = 868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(3.49996e-14,'m^3/(mol*s)'), n=5.55138, w0=(411,'kJ/mol'), E0=(41.3715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12455381583247412, var=4.307039551293759, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 4.473457840934245"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 4.473457840934245""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 4.473457840934245 +""", +) + +entry( + index = 869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(9.07617e-13,'m^3/(mol*s)'), n=5.05026, w0=(411,'kJ/mol'), E0=(44.3797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12938583018196315, var=7.19359536687384, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 5.7019656683712405"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.7019656683712405""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.7019656683712405 +""", +) + +entry( + index = 870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(4.25e-09,'m^3/(mol*s)'), n=3.96569, w0=(411,'kJ/mol'), E0=(55.1704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1270051456669238, var=9.304866321882697, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 6.434328022880262"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.434328022880262""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.434328022880262 +""", +) + +entry( + index = 871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(6.85726e-10,'m^3/(mol*s)'), n=4.2615, w0=(411,'kJ/mol'), E0=(56.7061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10714413800392839, var=13.17585051765691, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 7.546104903983724"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.546104903983724""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.546104903983724 +""", +) + +entry( + index = 872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(4.28734e-10,'m^3/(mol*s)'), n=4.40103, w0=(411,'kJ/mol'), E0=(62.4409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04794980393932942, var=50.4392779140024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_Sp-8C=5R!H + Total Standard Deviation in ln(k): 14.35822875658546"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_Sp-8C=5R!H +Total Standard Deviation in ln(k): 14.35822875658546""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_Sp-8C=5R!H +Total Standard Deviation in ln(k): 14.35822875658546 +""", +) + +entry( + index = 873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(1.08662e-09,'m^3/(mol*s)'), n=4.12313, w0=(411,'kJ/mol'), E0=(50.713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13735517832811164, var=37.92794646251575, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_N-Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 12.691408636968106"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 12.691408636968106""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Ext-9BrCClFINOPSi-R_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 12.691408636968106 +""", +) + +entry( + index = 874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(1.0939e-09,'m^3/(mol*s)'), n=4.14689, w0=(411,'kJ/mol'), E0=(52.4427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09988279292891879, var=42.07104941968664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Sp-8C=5R!H + Total Standard Deviation in ln(k): 13.25411447254004"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Sp-8C=5R!H +Total Standard Deviation in ln(k): 13.25411447254004""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_Sp-8C=5R!H +Total Standard Deviation in ln(k): 13.25411447254004 +""", +) + +entry( + index = 875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(2.76986e-09,'m^3/(mol*s)'), n=3.86899, w0=(411,'kJ/mol'), E0=(48.3012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21369230894764038, var=60.47172553982593, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_N-Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 16.126450659561538"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 16.126450659561538""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-6R!H-inRing_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 16.126450659561538 +""", +) + +entry( + index = 876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(2.37787e-11,'m^3/(mol*s)'), n=4.79085, w0=(411,'kJ/mol'), E0=(47.8764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18447791488559434, var=0.08404506032826511, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_Sp-8C=5R!H + Total Standard Deviation in ln(k): 1.0446955947124905"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_Sp-8C=5R!H +Total Standard Deviation in ln(k): 1.0446955947124905""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_Sp-8C=5R!H +Total Standard Deviation in ln(k): 1.0446955947124905 +""", +) + +entry( + index = 877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(6.02643e-11,'m^3/(mol*s)'), n=4.51295, w0=(411,'kJ/mol'), E0=(50.8777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03446832573020716, var=14.226176419687267, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 7.647984185567023"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 7.647984185567023""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Ext-1BrCClN-R_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 7.647984185567023 +""", +) + +entry( + index = 878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(8.74601e-16,'m^3/(mol*s)'), n=6.18757, w0=(411,'kJ/mol'), E0=(37.7182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21468071964703675, var=2.079134883548272, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + Total Standard Deviation in ln(k): 3.4300675061552295"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 3.4300675061552295""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 3.4300675061552295 +""", +) + +entry( + index = 879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(3.86988e-09,'m^3/(mol*s)'), n=4.25784, w0=(411,'kJ/mol'), E0=(61.589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07036351774746613, var=7.203306864467563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 5.55729662163714"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 5.55729662163714""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 5.55729662163714 +""", +) + +entry( + index = 880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.89994e-10,'m^3/(mol*s)'), n=4.58142, w0=(411,'kJ/mol'), E0=(53.1446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13319845188777635, var=5.75660665333515, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_6R!H-inRing + Total Standard Deviation in ln(k): 5.144616212163546"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_6R!H-inRing +Total Standard Deviation in ln(k): 5.144616212163546""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_6R!H-inRing +Total Standard Deviation in ln(k): 5.144616212163546 +""", +) + +entry( + index = 881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(5.44448e-10,'m^3/(mol*s)'), n=4.54063, w0=(411,'kJ/mol'), E0=(53.9219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07405064556942645, var=1.1665544667504317, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.351314140640801"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.351314140640801""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.351314140640801 +""", +) + +entry( + index = 882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(2.01504e-16,'m^3/(mol*s)'), n=6.20803, w0=(411,'kJ/mol'), E0=(35.182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12508668719481084, var=5.669523879949105, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 5.087715142970655"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 5.087715142970655""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 5.087715142970655 +""", +) + +entry( + index = 883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(9.88333e-10,'m^3/(mol*s)'), n=4.30352, w0=(411,'kJ/mol'), E0=(54.3006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02943719881908839, var=0.271160740220748, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_6R!H-inRing + Total Standard Deviation in ln(k): 1.1178904469723734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_6R!H-inRing +Total Standard Deviation in ln(k): 1.1178904469723734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_6R!H-inRing +Total Standard Deviation in ln(k): 1.1178904469723734 +""", +) + +entry( + index = 884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(6.593e-18,'m^3/(mol*s)'), n=6.62733, w0=(411,'kJ/mol'), E0=(27.1186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031670692855456664, var=10.80789937144635, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 6.670215300059745"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.670215300059745""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.670215300059745 +""", +) + +entry( + index = 885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(9.81143e-09,'m^3/(mol*s)'), n=3.97994, w0=(411,'kJ/mol'), E0=(63.4,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1775589395645391, var=32.18892444906536, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 11.820049374938058"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 11.820049374938058""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H_N-6R!H-inRing_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 11.820049374938058 +""", +) + +entry( + index = 886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(6.84297e-09,'m^3/(mol*s)'), n=4.20105, w0=(411,'kJ/mol'), E0=(42.555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11143483072753486, var=0.0679470607109285, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 0.8025544282434129"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 0.8025544282434129""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 0.8025544282434129 +""", +) + +entry( + index = 887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(4.3e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(47.2792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.330669073875208e-15, var=1.025913607239919e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H + Total Standard Deviation in ln(k): 7.257995156517019e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 7.257995156517019e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_Sp-8C=5R!H +Total Standard Deviation in ln(k): 7.257995156517019e-14 +""", +) + +entry( + index = 888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H", + kinetics = ArrheniusBM(A=(1.08898e-08,'m^3/(mol*s)'), n=4.0621, w0=(411,'kJ/mol'), E0=(37.8308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22244887946247327, var=0.4570135690552132, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H + Total Standard Deviation in ln(k): 1.914173400845228"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 1.914173400845228""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-Sp-8C=5R!H +Total Standard Deviation in ln(k): 1.914173400845228 +""", +) + +entry( + index = 889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.71986e-23,'m^3/(mol*s)'), n=8.53914, w0=(411,'kJ/mol'), E0=(17.7162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49768944382315833, var=7.049756696061805, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C + Total Standard Deviation in ln(k): 6.573323857029741"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 6.573323857029741""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C +Total Standard Deviation in ln(k): 6.573323857029741 +""", +) + +entry( + index = 890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(1.9635e-08,'m^3/(mol*s)'), n=4.20641, w0=(411,'kJ/mol'), E0=(82.4253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07609627207344236, var=1.7962723886390084, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 2.8780445906879657"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 2.8780445906879657""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 2.8780445906879657 +""", +) + +entry( + index = 891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(2.91701e-09,'m^3/(mol*s)'), n=4.37839, w0=(411,'kJ/mol'), E0=(76.7143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051579591512964845, var=2.2513564862529925, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 3.137605908300846"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.137605908300846""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-9BrCClFINOPSi-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.137605908300846 +""", +) + +entry( + index = 892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.92638e-10,'m^3/(mol*s)'), n=4.66275, w0=(411,'kJ/mol'), E0=(70.2724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030438196093225626, var=4.349421568003808, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 4.257406386696377"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.257406386696377""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.257406386696377 +""", +) + +entry( + index = 893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(7.44817e-09,'m^3/(mol*s)'), n=4.12425, w0=(411,'kJ/mol'), E0=(71.0546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08890354329225647, var=0.763190085541882, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.9747273606921885"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9747273606921885""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Ext-1BrCClN-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9747273606921885 +""", +) + +entry( + index = 894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(5.20495e-09,'m^3/(mol*s)'), n=4.47525, w0=(411,'kJ/mol'), E0=(77.389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02453827825801919, var=14.703528303079983, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 7.748846707783293"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 7.748846707783293""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 7.748846707783293 +""", +) + +entry( + index = 895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_6R!H-inRing", + kinetics = ArrheniusBM(A=(2.65366e-09,'m^3/(mol*s)'), n=4.55878, w0=(411,'kJ/mol'), E0=(77.2037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10945329062876916, var=68.08909427922038, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_6R!H-inRing + Total Standard Deviation in ln(k): 16.817303521715715"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_6R!H-inRing +Total Standard Deviation in ln(k): 16.817303521715715""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_6R!H-inRing +Total Standard Deviation in ln(k): 16.817303521715715 +""", +) + +entry( + index = 896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(3.70033e-09,'m^3/(mol*s)'), n=4.518, w0=(411,'kJ/mol'), E0=(76.3637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05623839108373252, var=27.31479219970559, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-6R!H-inRing + Total Standard Deviation in ln(k): 10.618760762227371"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-6R!H-inRing +Total Standard Deviation in ln(k): 10.618760762227371""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi_N-6R!H-inRing +Total Standard Deviation in ln(k): 10.618760762227371 +""", +) + +entry( + index = 897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi", + kinetics = ArrheniusBM(A=(2.92632e-08,'m^3/(mol*s)'), n=4.31737, w0=(411,'kJ/mol'), E0=(64.8677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015433647868422686, var=74.50550430434053, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi + Total Standard Deviation in ln(k): 17.342963775563124"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 17.342963775563124""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Ext-1BrCClN-R_N-9R!H->S_N-Sp-7R!H#6R!H_N-8R!H->C_N-Sp-9BrCClFINOPSi-1BrBrCCClClFINNOPSi +Total Standard Deviation in ln(k): 17.342963775563124 +""", +) + +entry( + index = 898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.08221e-27,'m^3/(mol*s)'), n=9.7353, w0=(411,'kJ/mol'), E0=(5.59668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47575278359278783, var=3.0089541050304405, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 4.672839795973112"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.672839795973112""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.672839795973112 +""", +) + +entry( + index = 899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C", + kinetics = ArrheniusBM(A=(4.93719e-13,'m^3/(mol*s)'), n=5.42721, w0=(411,'kJ/mol'), E0=(47.2949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2701116493166151, var=2.1744187395811148, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C + Total Standard Deviation in ln(k): 3.6348368713645205"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C +Total Standard Deviation in ln(k): 3.6348368713645205""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C +Total Standard Deviation in ln(k): 3.6348368713645205 +""", +) + +entry( + index = 900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(4.95053e-10,'m^3/(mol*s)'), n=4.63338, w0=(411,'kJ/mol'), E0=(51.0084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1769927407158064, var=1.2709395401698527, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_Sp-7R!H#6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 2.704762600238449"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 2.704762600238449""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 2.704762600238449 +""", +) + +entry( + index = 901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(1.96856e-11,'m^3/(mol*s)'), n=4.93558, w0=(411,'kJ/mol'), E0=(53.5918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2451196457243148, var=2.808827565207287, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 3.9757257207917935"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 3.9757257207917935""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 3.9757257207917935 +""", +) + +entry( + index = 902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(6.35996e-11,'m^3/(mol*s)'), n=4.83519, w0=(411,'kJ/mol'), E0=(55.5364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28305835233577437, var=17.476630102511876, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_6R!H-inRing + Total Standard Deviation in ln(k): 9.092008834573281"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 9.092008834573281""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 9.092008834573281 +""", +) + +entry( + index = 903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(8.4441e-11,'m^3/(mol*s)'), n=4.70884, w0=(411,'kJ/mol'), E0=(54.626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1760764599524475, var=0.7513304216514713, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.1800938640026652"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.1800938640026652""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_8R!H->C_N-Sp-7R!H#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.1800938640026652 +""", +) + +entry( + index = 904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.34818e-10,'m^3/(mol*s)'), n=4.94526, w0=(411,'kJ/mol'), E0=(85.9126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21550098305994747, var=5.944953580446049, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C + Total Standard Deviation in ln(k): 5.429460050475606"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C +Total Standard Deviation in ln(k): 5.429460050475606""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C +Total Standard Deviation in ln(k): 5.429460050475606 +""", +) + +entry( + index = 905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_6R!H-inRing", + kinetics = ArrheniusBM(A=(4.32747e-10,'m^3/(mol*s)'), n=4.81256, w0=(411,'kJ/mol'), E0=(87.5511,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25777280842727807, var=56.709326107672766, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_6R!H-inRing + Total Standard Deviation in ln(k): 15.744447118333246"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_6R!H-inRing +Total Standard Deviation in ln(k): 15.744447118333246""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_6R!H-inRing +Total Standard Deviation in ln(k): 15.744447118333246 +""", +) + +entry( + index = 906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(7.39447e-11,'m^3/(mol*s)'), n=5.01378, w0=(411,'kJ/mol'), E0=(85.0698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19064092573328423, var=3.911871969706471, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.444053120478875"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.444053120478875""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.444053120478875 +""", +) + +entry( + index = 907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(5.74088e-10,'m^3/(mol*s)'), n=4.68621, w0=(411,'kJ/mol'), E0=(87.6904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1613067618261074, var=15.009762729061004, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 8.172125222458003"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.172125222458003""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.172125222458003 +""", +) + +entry( + index = 908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3.3795e-09,'m^3/(mol*s)'), n=4.61075, w0=(411,'kJ/mol'), E0=(89.0806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1594763294363211, var=6.3578189505768545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.455576826822348"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.455576826822348""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-8R!H->C_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.455576826822348 +""", +) + +entry( + index = 909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(3.24366e-11,'m^3/(mol*s)'), n=4.74419, w0=(411,'kJ/mol'), E0=(62.3166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07073032143818751, var=4.959138163478355, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 4.642083474751099"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.642083474751099""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.642083474751099 +""", +) + +entry( + index = 910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.60877e-10,'m^3/(mol*s)'), n=4.5573, w0=(411,'kJ/mol'), E0=(64.3266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10953600309106346, var=1.55749814921734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_6R!H-inRing + Total Standard Deviation in ln(k): 2.7771207655255137"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_6R!H-inRing +Total Standard Deviation in ln(k): 2.7771207655255137""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_6R!H-inRing +Total Standard Deviation in ln(k): 2.7771207655255137 +""", +) + +entry( + index = 911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.36232e-11,'m^3/(mol*s)'), n=4.84596, w0=(411,'kJ/mol'), E0=(61.2311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0101179406605512, var=10.3013927521369, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 6.459776128229107"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.459776128229107""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.459776128229107 +""", +) + +entry( + index = 912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.1353e-10,'m^3/(mol*s)'), n=4.43095, w0=(411,'kJ/mol'), E0=(64.8974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013689657609021468, var=23.218345234258987, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 9.69429592542888"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 9.69429592542888""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 9.69429592542888 +""", +) + +entry( + index = 913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.25739e-09,'m^3/(mol*s)'), n=4.35548, w0=(411,'kJ/mol'), E0=(65.6626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0009649696421711456, var=38.87894895885878, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 12.502546420965698"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 12.502546420965698""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 12.502546420965698 +""", +) + +entry( + index = 914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.05921e-06,'m^3/(mol*s)'), n=3.60849, w0=(411,'kJ/mol'), E0=(36.003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05085333442346682, var=5.137392068558545, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 4.671667800562981"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.671667800562981""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.671667800562981 +""", +) + +entry( + index = 915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(5.07992e-08,'m^3/(mol*s)'), n=3.91345, w0=(411,'kJ/mol'), E0=(41.1676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005020927575346105, var=2.7518445936902327, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing + Total Standard Deviation in ln(k): 3.3382072022381175"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing +Total Standard Deviation in ln(k): 3.3382072022381175""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing +Total Standard Deviation in ln(k): 3.3382072022381175 +""", +) + +entry( + index = 916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S", + kinetics = ArrheniusBM(A=(3.75562e-09,'m^3/(mol*s)'), n=4.23115, w0=(411,'kJ/mol'), E0=(32.2671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017115071898368084, var=3.832689103031665, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S + Total Standard Deviation in ln(k): 3.967723659447647"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S +Total Standard Deviation in ln(k): 3.967723659447647""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S +Total Standard Deviation in ln(k): 3.967723659447647 +""", +) + +entry( + index = 917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(5.96497e-08,'m^3/(mol*s)'), n=3.80666, w0=(411,'kJ/mol'), E0=(21.4855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09262965357435356, var=9.374420389703541, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 6.370770583356423"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.370770583356423""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_8R!H->S_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.370770583356423 +""", +) + +entry( + index = 918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(6.83027e-11,'m^3/(mol*s)'), n=4.66046, w0=(411,'kJ/mol'), E0=(33.3855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015068859362843396, var=24.494159310887852, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 9.959610968056428"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 9.959610968056428""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_6R!H-inRing_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 9.959610968056428 +""", +) + +entry( + index = 919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(8.70521e-07,'m^3/(mol*s)'), n=3.65174, w0=(411,'kJ/mol'), E0=(32.2528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053238654768831134, var=5.411139956566186, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.797151553250442"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.797151553250442""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.797151553250442 +""", +) + +entry( + index = 920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S", + kinetics = ArrheniusBM(A=(0.334353,'m^3/(mol*s)'), n=2.13739, w0=(411,'kJ/mol'), E0=(52.971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18360402806401052, var=5.094545570616841, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S + Total Standard Deviation in ln(k): 4.9862242521874425"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S +Total Standard Deviation in ln(k): 4.9862242521874425""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S +Total Standard Deviation in ln(k): 4.9862242521874425 +""", +) + +entry( + index = 921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN", + kinetics = ArrheniusBM(A=(1.47314e-08,'m^3/(mol*s)'), n=4.25483, w0=(411,'kJ/mol'), E0=(8.66167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010147959603753675, var=1.0267866184558114, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN + Total Standard Deviation in ln(k): 2.056905063335573"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 2.056905063335573""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 2.056905063335573 +""", +) + +entry( + index = 922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.78245e-09,'m^3/(mol*s)'), n=4.33545, w0=(411,'kJ/mol'), E0=(42.1723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04210612815782288, var=1.7179432956476328, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.733407291969975"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.733407291969975""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.733407291969975 +""", +) + +entry( + index = 923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(5.20732e-08,'m^3/(mol*s)'), n=4.13081, w0=(411,'kJ/mol'), E0=(47.0596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.50876e-06,'m^3/(mol*s)'), n=3.66664, w0=(411,'kJ/mol'), E0=(20.2333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06994762085109321, var=0.31448245554906673, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.2999778690737087"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.2999778690737087""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.2999778690737087 +""", +) + +entry( + index = 925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.000136481,'m^3/(mol*s)'), n=3.06956, w0=(411,'kJ/mol'), E0=(17.1747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11299507898070738, var=0.11031289004249804, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 0.949747600208096"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 0.949747600208096""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_Sp-8S-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 0.949747600208096 +""", +) + +entry( + index = 926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN", + kinetics = ArrheniusBM(A=(1.7366e-05,'m^3/(mol*s)'), n=3.34771, w0=(411,'kJ/mol'), E0=(15.938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0925127258301847, var=21.011136476957763, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN + Total Standard Deviation in ln(k): 9.421729884425801"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 9.421729884425801""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 9.421729884425801 +""", +) + +entry( + index = 927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(432.349,'m^3/(mol*s)'), n=1.18701, w0=(411,'kJ/mol'), E0=(5.51923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28644910395922324, var=88.37496194043739, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 19.565826490895162"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 19.565826490895162""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 19.565826490895162 +""", +) + +entry( + index = 928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.26682e-09,'m^3/(mol*s)'), n=4.34122, w0=(411,'kJ/mol'), E0=(34.4956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026849627582549235, var=11.982658038144251, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 7.0070475355457225"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.0070475355457225""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_8R!H->S_N-Sp-8S-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.0070475355457225 +""", +) + +entry( + index = 929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.72702e-08,'m^3/(mol*s)'), n=4.09241, w0=(411,'kJ/mol'), E0=(20.8272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.013993032469664535, var=5.768982772409478, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S + Total Standard Deviation in ln(k): 4.850272780341544"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S +Total Standard Deviation in ln(k): 4.850272780341544""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S +Total Standard Deviation in ln(k): 4.850272780341544 +""", +) + +entry( + index = 930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN", + kinetics = ArrheniusBM(A=(1.56127e-06,'m^3/(mol*s)'), n=3.49986, w0=(411,'kJ/mol'), E0=(35.0106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0934721677161976, var=7.687797627152882, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN + Total Standard Deviation in ln(k): 5.793359180781483"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 5.793359180781483""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 5.793359180781483 +""", +) + +entry( + index = 931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.8519e-05,'m^3/(mol*s)'), n=3.20688, w0=(411,'kJ/mol'), E0=(19.6015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10564791815973028, var=7.613287632953291, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R + Total Standard Deviation in ln(k): 5.796949471451685"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R +Total Standard Deviation in ln(k): 5.796949471451685""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R +Total Standard Deviation in ln(k): 5.796949471451685 +""", +) + +entry( + index = 932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(7.93395e-07,'m^3/(mol*s)'), n=3.54436, w0=(411,'kJ/mol'), E0=(26.21,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06820819065500579, var=15.405182967094058, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 8.039849654936495"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.039849654936495""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.039849654936495 +""", +) + +entry( + index = 933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.64186e-05,'m^3/(mol*s)'), n=2.99033, w0=(411,'kJ/mol'), E0=(19.2722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13368397507451346, var=49.104193411960644, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 14.383947016738611"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 14.383947016738611""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 14.383947016738611 +""", +) + +entry( + index = 934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000432262,'m^3/(mol*s)'), n=2.86941, w0=(411,'kJ/mol'), E0=(12.993,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14926106482170634, var=6.123764728315654, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.335993655977548"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.335993655977548""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.335993655977548 +""", +) + +entry( + index = 935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.00208163,'m^3/(mol*s)'), n=2.55546, w0=(411,'kJ/mol'), E0=(12.6336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16019745208404368, var=35.1845146488244, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 12.293900236798276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 12.293900236798276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 12.293900236798276 +""", +) + +entry( + index = 936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(9.76558e-10,'m^3/(mol*s)'), n=4.32825, w0=(411,'kJ/mol'), E0=(19.6023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018490662501289987, var=16.2808678603636, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 8.135476267812434"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.135476267812434""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.135476267812434 +""", +) + +entry( + index = 937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.35157e-08,'m^3/(mol*s)'), n=3.72224, w0=(411,'kJ/mol'), E0=(22.9278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11647117291321037, var=80.64806921512242, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 18.296018167439914"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 18.296018167439914""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 18.296018167439914 +""", +) + +entry( + index = 938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.7058e-06,'m^3/(mol*s)'), n=3.54884, w0=(411,'kJ/mol'), E0=(42.1513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08170284430789516, var=9.44295325530951, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 6.365711857616513"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.365711857616513""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.365711857616513 +""", +) + +entry( + index = 939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.932e-08,'m^3/(mol*s)'), n=3.97023, w0=(411,'kJ/mol'), E0=(21.6951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07424422505198604, var=25.551584083738906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 10.320193368635659"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.320193368635659""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_Sp-8C-1BrCClN_N-Sp-7R!H=6R!H_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.320193368635659 +""", +) + +entry( + index = 940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN", + kinetics = ArrheniusBM(A=(6.06266e-09,'m^3/(mol*s)'), n=4.35097, w0=(411,'kJ/mol'), E0=(26.7551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019036868809997852, var=0.4209421803596273, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN + Total Standard Deviation in ln(k): 1.3485045907042938"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 1.3485045907042938""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 1.3485045907042938 +""", +) + +entry( + index = 941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.25782e-08,'m^3/(mol*s)'), n=4.2096, w0=(411,'kJ/mol'), E0=(32.578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07160400475315093, var=0.0693130518259214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.7077036218191426"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.7077036218191426""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.7077036218191426 +""", +) + +entry( + index = 942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.69239e-09,'m^3/(mol*s)'), n=4.4875, w0=(411,'kJ/mol'), E0=(20.8106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09255632210967575, var=0.3134940139673535, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.3550154915943389"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.3550154915943389""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_Ext-1BrCClN-R_N-6R!H-inRing_N-8R!H->S_N-Sp-8C-1BrCClN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.3550154915943389 +""", +) + +entry( + index = 943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(2.74983e-10,'m^3/(mol*s)'), n=4.7048, w0=(411,'kJ/mol'), E0=(52.5748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1584895470949156, var=4.590506655400376, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_6R!H-inRing + Total Standard Deviation in ln(k): 4.6934536043080985"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 4.6934536043080985""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 4.6934536043080985 +""", +) + +entry( + index = 944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(4.63833e-15,'m^3/(mol*s)'), n=6.05325, w0=(411,'kJ/mol'), E0=(37.5903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14612946616333972, var=14.752189481931298, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 8.067062041434523"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 8.067062041434523""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 8.067062041434523 +""", +) + +entry( + index = 945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3.63394e-10,'m^3/(mol*s)'), n=4.57845, w0=(411,'kJ/mol'), E0=(51.9412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04819841318777311, var=33.91092709127894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.79529325306649"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.79529325306649""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.79529325306649 +""", +) + +entry( + index = 946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.14044e-09,'m^3/(mol*s)'), n=4.50299, w0=(411,'kJ/mol'), E0=(54.6253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06858357823594048, var=50.81537952742682, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 14.463055884859592"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 14.463055884859592""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 14.463055884859592 +""", +) + +entry( + index = 947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.49261e-05,'m^3/(mol*s)'), n=3.21475, w0=(411,'kJ/mol'), E0=(36.7474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.046695030560367515, var=1.1691119640040257, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.2849536424623915"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.2849536424623915""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.2849536424623915 +""", +) + +entry( + index = 948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.27923e-10,'m^3/(mol*s)'), n=4.4547, w0=(411,'kJ/mol'), E0=(36.1543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21457121124559922, var=2.1246764283905177, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.4612795936124994"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.4612795936124994""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.4612795936124994 +""", +) + +entry( + index = 949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.49528e-09,'m^3/(mol*s)'), n=4.24007, w0=(411,'kJ/mol'), E0=(46.0424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22062038477779783, var=0.16497814191154042, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.3685958727323206"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.3685958727323206""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.3685958727323206 +""", +) + +entry( + index = 950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(3.23e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(51.7038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(6.93e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(40.3752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.61795e-09,'m^3/(mol*s)'), n=4.23973, w0=(411,'kJ/mol'), E0=(24.4204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2685673703080916, var=0.1824936684269882, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.5312007318802783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.5312007318802783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.5312007318802783 +""", +) + +entry( + index = 953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(5.64e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(30.1396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(1.21e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(18.6426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(1.42405e-09,'m^3/(mol*s)'), n=4.35888, w0=(411,'kJ/mol'), E0=(45.7055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1464330702151498, var=0.826215923775662, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 2.190154710410673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 2.190154710410673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 2.190154710410673 +""", +) + +entry( + index = 956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.63e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(46.0779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(1.36784e-10,'m^3/(mol*s)'), n=4.45891, w0=(411,'kJ/mol'), E0=(32.9233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3212876904955796, var=0.7249846133559416, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 2.514207799895057"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 2.514207799895057""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 2.514207799895057 +""", +) + +entry( + index = 958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.94e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(34.2916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(5.47426e-11,'m^3/(mol*s)'), n=4.77008, w0=(411,'kJ/mol'), E0=(0.701863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12727765594025087, var=0.1563095143446045, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 1.1123851268986171"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.1123851268986171""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.1123851268986171 +""", +) + +entry( + index = 960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing", + kinetics = ArrheniusBM(A=(1.08529e-12,'m^3/(mol*s)'), n=5.27413, w0=(411,'kJ/mol'), E0=(1.97639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3597865260589336, var=1.6790632646394055, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing + Total Standard Deviation in ln(k): 3.5016953684318315"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing +Total Standard Deviation in ln(k): 3.5016953684318315""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing +Total Standard Deviation in ln(k): 3.5016953684318315 +""", +) + +entry( + index = 961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(3.85e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(31.6004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(6.72e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(12.5414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(2.66e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(22.1994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-1BrCClN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_1BrCClN-inRing_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_N-1BrCClN-inRing", + kinetics = ArrheniusBM(A=(1.28e-08,'m^3/(mol*s)'), n=4.09, w0=(411,'kJ/mol'), E0=(23.3924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013004431156323213, var=4.277076375763787e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_N-1BrCClN-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_N-1BrCClN-inRing + Total Standard Deviation in ln(k): 0.032674450141519755"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_N-1BrCClN-inRing +Total Standard Deviation in ln(k): 0.032674450141519755""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-6R!H-R_Ext-1BrCClN-R_N-1BrCClN-inRing +Total Standard Deviation in ln(k): 0.032674450141519755 +""", +) + +entry( + index = 965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.1464e-09,'m^3/(mol*s)'), n=4.18917, w0=(411,'kJ/mol'), E0=(35.3302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3426892592619776, var=2.3772217902984574, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.9519772987947817"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.9519772987947817""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.9519772987947817 +""", +) + +entry( + index = 966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.77327e-09,'m^3/(mol*s)'), n=4.2396, w0=(411,'kJ/mol'), E0=(26.9038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39831390695929153, var=0.18687558431582466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 1.8674178176717504"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.8674178176717504""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 1.8674178176717504 +""", +) + +entry( + index = 967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(8.13e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(32.7617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.74e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(20.9036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-1BrCClN-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(6.72e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(48.6804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.44e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(36.7705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing", + kinetics = ArrheniusBM(A=(1.05335e-11,'m^3/(mol*s)'), n=5.05961, w0=(411,'kJ/mol'), E0=(9.24288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026747559453088092, var=1.2436424997706204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing + Total Standard Deviation in ln(k): 2.3028598287938347"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing +Total Standard Deviation in ln(k): 2.3028598287938347""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing +Total Standard Deviation in ln(k): 2.3028598287938347 +""", +) + +entry( + index = 972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(7.3e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(15.8212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_1BrCClN-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-1BrCClN-inRing", + kinetics = ArrheniusBM(A=(3.11e-11,'m^3/(mol*s)'), n=4.87, w0=(411,'kJ/mol'), E0=(25.8106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-1BrCClN-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-1BrCClN-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-1BrCClN-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-6R!H-R_N-1BrCClN-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C", + kinetics = ArrheniusBM(A=(4.63078e-09,'m^3/(mol*s)'), n=4.32803, w0=(411,'kJ/mol'), E0=(39.1612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003129418539862169, var=5.533501433829324, Tref=1000.0, N=82, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C',), comment="""BM rule fitted to 82 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C + Total Standard Deviation in ln(k): 4.72368050258089"""), + rank = 11, + shortDesc = """BM rule fitted to 82 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C +Total Standard Deviation in ln(k): 4.72368050258089""", + longDesc = +""" +BM rule fitted to 82 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C +Total Standard Deviation in ln(k): 4.72368050258089 +""", +) + +entry( + index = 975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C", + kinetics = ArrheniusBM(A=(1.82994e-06,'m^3/(mol*s)'), n=3.53151, w0=(411,'kJ/mol'), E0=(46.5168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1410579927020028, var=3.6230806126096025, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C + Total Standard Deviation in ln(k): 4.170308306604496"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C +Total Standard Deviation in ln(k): 4.170308306604496""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C +Total Standard Deviation in ln(k): 4.170308306604496 +""", +) + +entry( + index = 976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.13478e-10,'m^3/(mol*s)'), n=4.74602, w0=(411,'kJ/mol'), E0=(41.6304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026632632579337807, var=4.46818644005654, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 4.304542240108737"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.304542240108737""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.304542240108737 +""", +) + +entry( + index = 977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.77688e-09,'m^3/(mol*s)'), n=4.24912, w0=(411,'kJ/mol'), E0=(38.3306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10606613316599213, var=2.1418916883407446, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C + Total Standard Deviation in ln(k): 3.2004683174941713"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 3.2004683174941713""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 3.2004683174941713 +""", +) + +entry( + index = 978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.48355e-10,'m^3/(mol*s)'), n=4.6099, w0=(411,'kJ/mol'), E0=(33.6242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08520576198453028, var=2.0703637188126547, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 3.098649722562855"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.098649722562855""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.098649722562855 +""", +) + +entry( + index = 979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(6.48386e-11,'m^3/(mol*s)'), n=4.71319, w0=(411,'kJ/mol'), E0=(29.5441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07203760284528189, var=1.7849991534338487, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 2.85940245785752"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 2.85940245785752""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 2.85940245785752 +""", +) + +entry( + index = 980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(1.78093e-17,'m^3/(mol*s)'), n=6.51186, w0=(411,'kJ/mol'), E0=(3.65495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03545568614498709, var=1.259698142363341, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C + Total Standard Deviation in ln(k): 2.3391246128405374"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C +Total Standard Deviation in ln(k): 2.3391246128405374""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C +Total Standard Deviation in ln(k): 2.3391246128405374 +""", +) + +entry( + index = 981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_8R!H->S", + kinetics = ArrheniusBM(A=(1.54739e-08,'m^3/(mol*s)'), n=3.92936, w0=(411,'kJ/mol'), E0=(37.3479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25427533695710425, var=1.9946197625967776, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_8R!H->S + Total Standard Deviation in ln(k): 3.4701903140810963"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_8R!H->S +Total Standard Deviation in ln(k): 3.4701903140810963""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_8R!H->S +Total Standard Deviation in ln(k): 3.4701903140810963 +""", +) + +entry( + index = 982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.019e-07,'m^3/(mol*s)'), n=3.73756, w0=(411,'kJ/mol'), E0=(33.3576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.399580970705415, var=1.7038995704212097, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_N-8R!H->S + Total Standard Deviation in ln(k): 3.620823233538766"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_N-8R!H->S +Total Standard Deviation in ln(k): 3.620823233538766""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-Sp-7C=5C_N-8R!H->S +Total Standard Deviation in ln(k): 3.620823233538766 +""", +) + +entry( + index = 983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S", + kinetics = ArrheniusBM(A=(6.11705e-09,'m^3/(mol*s)'), n=4.20725, w0=(411,'kJ/mol'), E0=(37.613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0997937113673241, var=14.629442875368818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S + Total Standard Deviation in ln(k): 7.918539849150261"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 7.918539849150261""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 7.918539849150261 +""", +) + +entry( + index = 984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(4.02757e-08,'m^3/(mol*s)'), n=4.01545, w0=(411,'kJ/mol'), E0=(36.7265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22782063256640478, var=0.007765056836254613, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S + Total Standard Deviation in ln(k): 0.7490700223922631"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 0.7490700223922631""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 0.7490700223922631 +""", +) + +entry( + index = 985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C", + kinetics = ArrheniusBM(A=(3.95141e-07,'m^3/(mol*s)'), n=3.63576, w0=(411,'kJ/mol'), E0=(38.4966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14765205938277168, var=2.281262907395543, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C + Total Standard Deviation in ln(k): 3.39890690296455"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C +Total Standard Deviation in ln(k): 3.39890690296455""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C +Total Standard Deviation in ln(k): 3.39890690296455 +""", +) + +entry( + index = 986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN", + kinetics = ArrheniusBM(A=(5.0242e-09,'m^3/(mol*s)'), n=4.13726, w0=(411,'kJ/mol'), E0=(39.8193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15886513886070927, var=1.8228875763218886, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN + Total Standard Deviation in ln(k): 3.105838752814555"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 3.105838752814555""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 3.105838752814555 +""", +) + +entry( + index = 987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Sp-7C=5C", + kinetics = ArrheniusBM(A=(3.17314e-09,'m^3/(mol*s)'), n=4.27553, w0=(411,'kJ/mol'), E0=(40.3494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.058959357193351436, var=0.38049118509668983, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Sp-7C=5C + Total Standard Deviation in ln(k): 1.384739222745605"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 1.384739222745605""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 1.384739222745605 +""", +) + +entry( + index = 988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(8.04184e-09,'m^3/(mol*s)'), n=3.99764, w0=(411,'kJ/mol'), E0=(39.3008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25766466317745124, var=7.785472199937951, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_N-Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_N-Sp-7C=5C + Total Standard Deviation in ln(k): 6.241102487761122"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 6.241102487761122""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_Sp-8C-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 6.241102487761122 +""", +) + +entry( + index = 989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN", + kinetics = ArrheniusBM(A=(2.04794e-09,'m^3/(mol*s)'), n=4.3322, w0=(411,'kJ/mol'), E0=(26.3876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023572159951860558, var=0.056538046211868635, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN + Total Standard Deviation in ln(k): 0.535907034118351"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 0.535907034118351""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN +Total Standard Deviation in ln(k): 0.535907034118351 +""", +) + +entry( + index = 990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_Sp-7C=5C", + kinetics = ArrheniusBM(A=(1.29377e-09,'m^3/(mol*s)'), n=4.4704, w0=(411,'kJ/mol'), E0=(31.5843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11230659677195745, var=0.06937787527860059, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_Sp-7C=5C + Total Standard Deviation in ln(k): 0.8102181869708501"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 0.8102181869708501""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 0.8102181869708501 +""", +) + +entry( + index = 991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(3.28135e-09,'m^3/(mol*s)'), n=4.1925, w0=(411,'kJ/mol'), E0=(21.0679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1747741729965893, var=0.31342451910295194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_N-Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_N-Sp-7C=5C + Total Standard Deviation in ln(k): 1.561468586685604"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 1.561468586685604""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_8R!H->C_N-Sp-8C-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 1.561468586685604 +""", +) + +entry( + index = 992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.63194e-09,'m^3/(mol*s)'), n=4.24446, w0=(411,'kJ/mol'), E0=(43.8581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.058479145662308815, var=2.979503899405573, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C + Total Standard Deviation in ln(k): 3.607353762303268"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.607353762303268""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.607353762303268 +""", +) + +entry( + index = 993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN", + kinetics = ArrheniusBM(A=(7.087e-10,'m^3/(mol*s)'), n=4.3561, w0=(411,'kJ/mol'), E0=(43.3098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006609018014728284, var=3.0816468687097816, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN + Total Standard Deviation in ln(k): 3.5358418414705244"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 3.5358418414705244""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 3.5358418414705244 +""", +) + +entry( + index = 994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_Sp-7C=5C", + kinetics = ArrheniusBM(A=(4.54421e-10,'m^3/(mol*s)'), n=4.49251, w0=(411,'kJ/mol'), E0=(41.054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08017415554690147, var=1.100052045229529, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_Sp-7C=5C + Total Standard Deviation in ln(k): 2.3040762293604384"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 2.3040762293604384""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 2.3040762293604384 +""", +) + +entry( + index = 995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(1.15135e-09,'m^3/(mol*s)'), n=4.21461, w0=(411,'kJ/mol'), E0=(45.6021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0957031677429714, var=8.801598231480352, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_N-Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_N-Sp-7C=5C + Total Standard Deviation in ln(k): 6.18800553440712"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 6.18800553440712""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_Sp-8S-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 6.18800553440712 +""", +) + +entry( + index = 996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN", + kinetics = ArrheniusBM(A=(6.00999e-09,'m^3/(mol*s)'), n=4.19333, w0=(411,'kJ/mol'), E0=(43.8657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10545706420521968, var=5.4815959538447165, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN + Total Standard Deviation in ln(k): 4.958615316315644"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 4.958615316315644""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN +Total Standard Deviation in ln(k): 4.958615316315644 +""", +) + +entry( + index = 997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_Sp-7C=5C", + kinetics = ArrheniusBM(A=(3.68255e-09,'m^3/(mol*s)'), n=4.33542, w0=(411,'kJ/mol'), E0=(55.927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016969631969248413, var=24.24333709525053, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_Sp-7C=5C + Total Standard Deviation in ln(k): 9.913456292535624"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 9.913456292535624""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_Sp-7C=5C +Total Standard Deviation in ln(k): 9.913456292535624 +""", +) + +entry( + index = 998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(9.32564e-09,'m^3/(mol*s)'), n=4.05753, w0=(411,'kJ/mol'), E0=(31.4447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16969762512825454, var=1.3044327063046215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_N-Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_N-Sp-7C=5C + Total Standard Deviation in ln(k): 2.71601924032632"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 2.71601924032632""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Ext-1BrCClN-R_N-8R!H->C_N-Sp-8S-1BrCClN_N-Sp-7C=5C +Total Standard Deviation in ln(k): 2.71601924032632 +""", +) + +entry( + index = 999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C", + kinetics = ArrheniusBM(A=(7.43915e-10,'m^3/(mol*s)'), n=4.51649, w0=(411,'kJ/mol'), E0=(42.6878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12479113246662941, var=0.8565808290120718, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C + Total Standard Deviation in ln(k): 2.1689609915504895"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 2.1689609915504895""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 2.1689609915504895 +""", +) + +entry( + index = 1000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(1.88713e-09,'m^3/(mol*s)'), n=4.2386, w0=(411,'kJ/mol'), E0=(48.8053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09666452227598968, var=13.573217427249155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C + Total Standard Deviation in ln(k): 7.628690126239116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 7.628690126239116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 7.628690126239116 +""", +) + +entry( + index = 1001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.41223e-09,'m^3/(mol*s)'), n=4.63037, w0=(411,'kJ/mol'), E0=(58.7138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008002828679538405, var=10.439434809451802, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.497429543002943"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.497429543002943""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.497429543002943 +""", +) + +entry( + index = 1002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.8022e-12,'m^3/(mol*s)'), n=5.36293, w0=(411,'kJ/mol'), E0=(49.6443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03388335791600534, var=14.33390644438792, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 7.67509030892641"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 7.67509030892641""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 7.67509030892641 +""", +) + +entry( + index = 1003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(1.1378e-09,'m^3/(mol*s)'), n=4.65372, w0=(411,'kJ/mol'), E0=(53.3461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.066905210487545, var=27.22418360517549, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 10.628169474821961"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.628169474821961""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 10.628169474821961 +""", +) + +entry( + index = 1004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S", + kinetics = ArrheniusBM(A=(4.154e-08,'m^3/(mol*s)'), n=4.18462, w0=(411,'kJ/mol'), E0=(60.3648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09573952675153002, var=101.59900691075799, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S + Total Standard Deviation in ln(k): 20.44754596366777"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 20.44754596366777""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_8R!H->S +Total Standard Deviation in ln(k): 20.44754596366777 +""", +) + +entry( + index = 1005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(2.73918e-07,'m^3/(mol*s)'), n=3.99282, w0=(411,'kJ/mol'), E0=(56.8114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19046921966912225, var=53.99264135261085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S + Total Standard Deviation in ln(k): 15.209296115701095"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 15.209296115701095""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-8R!H->S +Total Standard Deviation in ln(k): 15.209296115701095 +""", +) + +entry( + index = 1006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(7.68185e-11,'m^3/(mol*s)'), n=4.9422, w0=(411,'kJ/mol'), E0=(60.7396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.013579943665478308, var=11.387163019390641, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 6.799073068951112"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 6.799073068951112""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 6.799073068951112 +""", +) + +entry( + index = 1007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C", + kinetics = ArrheniusBM(A=(2.16201e-08,'m^3/(mol*s)'), n=4.2529, w0=(411,'kJ/mol'), E0=(63.1997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06371063568669615, var=35.269568541129885, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C + Total Standard Deviation in ln(k): 12.065835307298538"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 12.065835307298538""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 12.065835307298538 +""", +) + +entry( + index = 1008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.09335e-09,'m^3/(mol*s)'), n=4.46987, w0=(411,'kJ/mol'), E0=(68.8446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06014833577520145, var=33.41815536978734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C + Total Standard Deviation in ln(k): 11.740186871777029"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 11.740186871777029""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 11.740186871777029 +""", +) + +entry( + index = 1009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN", + kinetics = ArrheniusBM(A=(1.96208e-11,'m^3/(mol*s)'), n=5.20522, w0=(411,'kJ/mol'), E0=(46.7416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1605183643921875, var=37.13171741735455, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN + Total Standard Deviation in ln(k): 12.619326079310705"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 12.619326079310705""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN +Total Standard Deviation in ln(k): 12.619326079310705 +""", +) + +entry( + index = 1010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C", + kinetics = ArrheniusBM(A=(8.81181e-09,'m^3/(mol*s)'), n=4.44776, w0=(411,'kJ/mol'), E0=(51.541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07113196356624592, var=70.11299960432818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C + Total Standard Deviation in ln(k): 16.965073109938206"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 16.965073109938206""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_8R!H->C +Total Standard Deviation in ln(k): 16.965073109938206 +""", +) + +entry( + index = 1011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.50545e-08,'m^3/(mol*s)'), n=4.31279, w0=(411,'kJ/mol'), E0=(57.1474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020660681581472953, var=78.47291413715777, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C + Total Standard Deviation in ln(k): 17.810844710033642"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 17.810844710033642""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-5C-R_N-7R!H->C_Ext-1BrCClN-R_N-Sp-8R!H-1BrCClN_N-8R!H->C +Total Standard Deviation in ln(k): 17.810844710033642 +""", +) + +entry( + index = 1012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(5.37104e-06,'m^3/(mol*s)'), n=3.35595, w0=(411,'kJ/mol'), E0=(35.6711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3332318209626408, var=3.3165758915870143, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 4.488182876390786"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.488182876390786""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.488182876390786 +""", +) + +entry( + index = 1013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.2463e-06,'m^3/(mol*s)'), n=3.42505, w0=(411,'kJ/mol'), E0=(29.1926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6642391833257937, var=0.7907372702563158, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 3.4516214477861142"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.4516214477861142""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.4516214477861142 +""", +) + +entry( + index = 1014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S", + kinetics = ArrheniusBM(A=(2.06556e-08,'m^3/(mol*s)'), n=4.07686, w0=(411,'kJ/mol'), E0=(20.8327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10937599025652678, var=0.2938393808699371, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S + Total Standard Deviation in ln(k): 1.3615198572472356"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S +Total Standard Deviation in ln(k): 1.3615198572472356""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S +Total Standard Deviation in ln(k): 1.3615198572472356 +""", +) + +entry( + index = 1015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(1.98451e-06,'m^3/(mol*s)'), n=3.48364, w0=(411,'kJ/mol'), E0=(28.5472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1063850804869566, var=2.5730449457352016, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S + Total Standard Deviation in ln(k): 5.995600144408958"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S +Total Standard Deviation in ln(k): 5.995600144408958""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S +Total Standard Deviation in ln(k): 5.995600144408958 +""", +) + +entry( + index = 1016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.01185e-16,'m^3/(mol*s)'), n=6.32213, w0=(411,'kJ/mol'), E0=(3.12552e-07,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5307736460802872, var=6.614637107432329, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C + Total Standard Deviation in ln(k): 9.002130417944153"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 9.002130417944153""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 9.002130417944153 +""", +) + +entry( + index = 1017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_Sp-7C-1BrCClN", + kinetics = ArrheniusBM(A=(2.75638e-08,'m^3/(mol*s)'), n=3.9732, w0=(411,'kJ/mol'), E0=(36.8899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.005690631234803, var=9.341609434956153, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_Sp-7C-1BrCClN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_Sp-7C-1BrCClN + Total Standard Deviation in ln(k): 11.166705325669168"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_Sp-7C-1BrCClN +Total Standard Deviation in ln(k): 11.166705325669168""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_Sp-7C-1BrCClN +Total Standard Deviation in ln(k): 11.166705325669168 +""", +) + +entry( + index = 1018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_N-Sp-7C-1BrCClN", + kinetics = ArrheniusBM(A=(5.56e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(18.828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1657341758565106e-15, var=3.821106639422505e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_N-Sp-7C-1BrCClN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_N-Sp-7C-1BrCClN + Total Standard Deviation in ln(k): 4.211684220345635e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_N-Sp-7C-1BrCClN +Total Standard Deviation in ln(k): 4.211684220345635e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_7R!H->C_N-Sp-7C-1BrCClN +Total Standard Deviation in ln(k): 4.211684220345635e-14 +""", +) + +entry( + index = 1019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(8.59067e-08,'m^3/(mol*s)'), n=3.94038, w0=(411,'kJ/mol'), E0=(30.2212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05543942098076172, var=5.295141790082285, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C + Total Standard Deviation in ln(k): 4.752426015025204"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.752426015025204""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.752426015025204 +""", +) + +entry( + index = 1020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_Sp-7S-1BrCClN", + kinetics = ArrheniusBM(A=(1.88031e-09,'m^3/(mol*s)'), n=4.36211, w0=(411,'kJ/mol'), E0=(33.5111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005568326726427375, var=13.720726581244408, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_Sp-7S-1BrCClN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_Sp-7S-1BrCClN + Total Standard Deviation in ln(k): 7.439830034070883"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_Sp-7S-1BrCClN +Total Standard Deviation in ln(k): 7.439830034070883""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_Sp-7S-1BrCClN +Total Standard Deviation in ln(k): 7.439830034070883 +""", +) + +entry( + index = 1021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_N-Sp-7S-1BrCClN", + kinetics = ArrheniusBM(A=(2.69603e-08,'m^3/(mol*s)'), n=4.1384, w0=(411,'kJ/mol'), E0=(14.5638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03458438101746064, var=0.3279372141758254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_N-Sp-7S-1BrCClN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_N-Sp-7S-1BrCClN + Total Standard Deviation in ln(k): 1.2349230607741957"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_N-Sp-7S-1BrCClN +Total Standard Deviation in ln(k): 1.2349230607741957""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_6R!H->C_Ext-1BrCClN-R_N-7R!H->C_N-Sp-7S-1BrCClN +Total Standard Deviation in ln(k): 1.2349230607741957 +""", +) + +entry( + index = 1022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C", + kinetics = ArrheniusBM(A=(5.64596e-15,'m^3/(mol*s)'), n=6.02686, w0=(411,'kJ/mol'), E0=(30.2852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42248408510324814, var=12.593594649113124, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C + Total Standard Deviation in ln(k): 8.17581239351981"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C +Total Standard Deviation in ln(k): 8.17581239351981""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C +Total Standard Deviation in ln(k): 8.17581239351981 +""", +) + +entry( + index = 1023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.21692e-24,'m^3/(mol*s)'), n=8.66566, w0=(411,'kJ/mol'), E0=(1.53804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4909852958978352, var=10.748301565141908, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 7.806075645776721"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 7.806075645776721""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 7.806075645776721 +""", +) + +entry( + index = 1024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(2.4101e-22,'m^3/(mol*s)'), n=8.18316, w0=(411,'kJ/mol'), E0=(0.183363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48110098842862353, var=11.279388681915648, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 7.941659346330447"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 7.941659346330447""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 7.941659346330447 +""", +) + +entry( + index = 1025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.428e-21,'m^3/(mol*s)'), n=7.86273, w0=(411,'kJ/mol'), E0=(2.84637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5665987661447863, var=6.6909036784011, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C + Total Standard Deviation in ln(k): 6.609219344397055"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 6.609219344397055""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 6.609219344397055 +""", +) + +entry( + index = 1026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C", + kinetics = ArrheniusBM(A=(3.54147e-25,'m^3/(mol*s)'), n=8.97698, w0=(411,'kJ/mol'), E0=(1.58817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7717963747130515, var=15.736168492535672, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C + Total Standard Deviation in ln(k): 9.89173832918696"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 9.89173832918696""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 9.89173832918696 +""", +) + +entry( + index = 1027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_8R!H->C", + kinetics = ArrheniusBM(A=(1.26075e-10,'m^3/(mol*s)'), n=4.83203, w0=(411,'kJ/mol'), E0=(30.7476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4145252850662201, var=5.756232824167181, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_8R!H->C + Total Standard Deviation in ln(k): 5.851311372335584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_8R!H->C +Total Standard Deviation in ln(k): 5.851311372335584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_8R!H->C +Total Standard Deviation in ln(k): 5.851311372335584 +""", +) + +entry( + index = 1028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.54574e-09,'m^3/(mol*s)'), n=4.47168, w0=(411,'kJ/mol'), E0=(68.1394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07811246675693062, var=44.237771506307574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_N-8R!H->C + Total Standard Deviation in ln(k): 13.530052449351656"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_N-8R!H->C +Total Standard Deviation in ln(k): 13.530052449351656""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_Sp-7C=5C_N-8R!H->C +Total Standard Deviation in ln(k): 13.530052449351656 +""", +) + +entry( + index = 1029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(5.75799e-18,'m^3/(mol*s)'), n=6.74848, w0=(411,'kJ/mol'), E0=(1.45019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.361401160911452, var=4.531885099431872, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C + Total Standard Deviation in ln(k): 5.175768192621633"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 5.175768192621633""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 5.175768192621633 +""", +) + +entry( + index = 1030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_8R!H->C", + kinetics = ArrheniusBM(A=(3.18819e-10,'m^3/(mol*s)'), n=4.55413, w0=(411,'kJ/mol'), E0=(20.4866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16209114544384592, var=10.849740530833971, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_8R!H->C + Total Standard Deviation in ln(k): 7.010649894105127"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_8R!H->C +Total Standard Deviation in ln(k): 7.010649894105127""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_8R!H->C +Total Standard Deviation in ln(k): 7.010649894105127 +""", +) + +entry( + index = 1031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.91079e-09,'m^3/(mol*s)'), n=4.19378, w0=(411,'kJ/mol'), E0=(43.8676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09837938139712119, var=8.054193394077299, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_N-8R!H->C + Total Standard Deviation in ln(k): 5.936604651224965"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_N-8R!H->C +Total Standard Deviation in ln(k): 5.936604651224965""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_7R!H->C_N-Sp-7C=5C_N-8R!H->C +Total Standard Deviation in ln(k): 5.936604651224965 +""", +) + +entry( + index = 1032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.8907e-21,'m^3/(mol*s)'), n=8.03515, w0=(411,'kJ/mol'), E0=(20.2893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24089263339746958, var=39.54027416120271, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C + Total Standard Deviation in ln(k): 13.21124407818869"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 13.21124407818869""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 13.21124407818869 +""", +) + +entry( + index = 1033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(8.5744e-10,'m^3/(mol*s)'), n=4.80939, w0=(411,'kJ/mol'), E0=(49.132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2996855602048964, var=124.30946049190612, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 23.10460264533311"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 23.10460264533311""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 23.10460264533311 +""", +) + +entry( + index = 1034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.05156e-08,'m^3/(mol*s)'), n=4.44904, w0=(411,'kJ/mol'), E0=(59.9892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04635187486653334, var=57.120394822602975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 15.267855924624747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.267855924624747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Ext-1BrCClN-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.267855924624747 +""", +) + +entry( + index = 1035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(5.44068e-28,'m^3/(mol*s)'), n=9.72722, w0=(411,'kJ/mol'), E0=(1.61901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41019816185558905, var=8.628976737470026, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C + Total Standard Deviation in ln(k): 6.91958199021982"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 6.91958199021982""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 6.91958199021982 +""", +) + +entry( + index = 1036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_7R!H->C", + kinetics = ArrheniusBM(A=(5.2758e-11,'m^3/(mol*s)'), n=4.75236, w0=(411,'kJ/mol'), E0=(44.332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2653654422464977, var=5.304258640346559, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_7R!H->C + Total Standard Deviation in ln(k): 5.283847924800419"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_7R!H->C +Total Standard Deviation in ln(k): 5.283847924800419""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_7R!H->C +Total Standard Deviation in ln(k): 5.283847924800419 +""", +) + +entry( + index = 1037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.58836e-10,'m^3/(mol*s)'), n=4.72972, w0=(411,'kJ/mol'), E0=(78.5322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2331880847654653, var=25.070179287072293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_N-7R!H->C + Total Standard Deviation in ln(k): 10.623634325535303"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_N-7R!H->C +Total Standard Deviation in ln(k): 10.623634325535303""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_Sp-7R!H=5C_N-7R!H->C +Total Standard Deviation in ln(k): 10.623634325535303 +""", +) + +entry( + index = 1038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(1.33523e-10,'m^3/(mol*s)'), n=4.47446, w0=(411,'kJ/mol'), E0=(54.8348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07285767955177436, var=14.116358712654247, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_N-Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_N-Sp-7R!H=5C + Total Standard Deviation in ln(k): 7.71519860534037"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 7.71519860534037""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 7.71519860534037 +""", +) + +entry( + index = 1039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(3.66154e-08,'m^3/(mol*s)'), n=4.1521, w0=(411,'kJ/mol'), E0=(14.7227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.039252551018286286, var=2.6312993599054035, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 3.3505614705819684"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.3505614705819684""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 3.3505614705819684 +""", +) + +entry( + index = 1040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C", + kinetics = ArrheniusBM(A=(4.52562e-10,'m^3/(mol*s)'), n=4.70163, w0=(411,'kJ/mol'), E0=(9.95886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20087056374462284, var=7.572052015097703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C + Total Standard Deviation in ln(k): 6.021201956612229"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 6.021201956612229""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 6.021201956612229 +""", +) + +entry( + index = 1041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.57652e-08,'m^3/(mol*s)'), n=4.12149, w0=(411,'kJ/mol'), E0=(14.4321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05250869150634578, var=0.813206417422574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.9397605490426812"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.9397605490426812""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.9397605490426812 +""", +) + +entry( + index = 1042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.5842e-10,'m^3/(mol*s)'), n=4.84647, w0=(411,'kJ/mol'), E0=(27.6026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.598e-09,'m^3/(mol*s)'), n=4.34793, w0=(411,'kJ/mol'), E0=(3.86252e-07,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003056489810114258, var=7.6127173858434904, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C + Total Standard Deviation in ln(k): 5.538974900581678"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C +Total Standard Deviation in ln(k): 5.538974900581678""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C +Total Standard Deviation in ln(k): 5.538974900581678 +""", +) + +entry( + index = 1044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C", + kinetics = ArrheniusBM(A=(1.10672e-07,'m^3/(mol*s)'), n=3.81486, w0=(411,'kJ/mol'), E0=(16.3483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16468874192724256, var=7.382311185679888, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C + Total Standard Deviation in ln(k): 5.860737983239563"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C +Total Standard Deviation in ln(k): 5.860737983239563""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C +Total Standard Deviation in ln(k): 5.860737983239563 +""", +) + +entry( + index = 1045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(4.96803e-08,'m^3/(mol*s)'), n=3.8978, w0=(411,'kJ/mol'), E0=(0.819429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04653023236617291, var=6.722343490182484, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 5.314683496091453"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.314683496091453""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 5.314683496091453 +""", +) + +entry( + index = 1046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(9.27516e-05,'m^3/(mol*s)'), n=2.8917, w0=(411,'kJ/mol'), E0=(4.07082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06894732340396181, var=9.740283424825556, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 6.429897814450691"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.429897814450691""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 6.429897814450691 +""", +) + +entry( + index = 1047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S", + kinetics = ArrheniusBM(A=(0.00058346,'m^3/(mol*s)'), n=2.57599, w0=(411,'kJ/mol'), E0=(2.52728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28611916846121627, var=24.730999323929467, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S + Total Standard Deviation in ln(k): 10.68849440981677"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S +Total Standard Deviation in ln(k): 10.68849440981677""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_7R!H->S +Total Standard Deviation in ln(k): 10.68849440981677 +""", +) + +entry( + index = 1048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(1.47446e-05,'m^3/(mol*s)'), n=3.2074, w0=(411,'kJ/mol'), E0=(5.61435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24782931471877767, var=35.099287328503465, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S + Total Standard Deviation in ln(k): 12.499669823930576"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S +Total Standard Deviation in ln(k): 12.499669823930576""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Ext-1BrCClN-R_N-7R!H->S +Total Standard Deviation in ln(k): 12.499669823930576 +""", +) + +entry( + index = 1049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN", + kinetics = ArrheniusBM(A=(1.35975e-10,'m^3/(mol*s)'), n=4.56357, w0=(411,'kJ/mol'), E0=(4.93473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14414165872718257, var=19.382960926864822, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN + Total Standard Deviation in ln(k): 9.18822850943061"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN +Total Standard Deviation in ln(k): 9.18822850943061""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN +Total Standard Deviation in ln(k): 9.18822850943061 +""", +) + +entry( + index = 1050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_7R!H->C", + kinetics = ArrheniusBM(A=(1.34197e-07,'m^3/(mol*s)'), n=3.78351, w0=(411,'kJ/mol'), E0=(20.6372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19763964892070873, var=37.990474686715565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_7R!H->C + Total Standard Deviation in ln(k): 12.853050050519366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_7R!H->C +Total Standard Deviation in ln(k): 12.853050050519366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_7R!H->C +Total Standard Deviation in ln(k): 12.853050050519366 +""", +) + +entry( + index = 1051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.71536e-09,'m^3/(mol*s)'), n=4.00048, w0=(411,'kJ/mol'), E0=(17.8207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17453446948174367, var=66.36666246800054, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_N-7R!H->C + Total Standard Deviation in ln(k): 16.770250803207315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_N-7R!H->C +Total Standard Deviation in ln(k): 16.770250803207315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_Sp-7R!H-1BrCClN_N-7R!H->C +Total Standard Deviation in ln(k): 16.770250803207315 +""", +) + +entry( + index = 1052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN", + kinetics = ArrheniusBM(A=(4.90384e-07,'m^3/(mol*s)'), n=3.75028, w0=(411,'kJ/mol'), E0=(13.5529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29300245551391296, var=4.01039153721911, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN + Total Standard Deviation in ln(k): 4.750861920632473"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN +Total Standard Deviation in ln(k): 4.750861920632473""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN +Total Standard Deviation in ln(k): 4.750861920632473 +""", +) + +entry( + index = 1053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_7R!H->C", + kinetics = ArrheniusBM(A=(8.00439e-08,'m^3/(mol*s)'), n=3.97837, w0=(411,'kJ/mol'), E0=(11.6953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32958586277859564, var=7.5611083438029265, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_7R!H->C + Total Standard Deviation in ln(k): 6.340619367448179"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_7R!H->C +Total Standard Deviation in ln(k): 6.340619367448179""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_7R!H->C +Total Standard Deviation in ln(k): 6.340619367448179 +""", +) + +entry( + index = 1054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.69571e-07,'m^3/(mol*s)'), n=3.75313, w0=(411,'kJ/mol'), E0=(11.3053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08316554630549522, var=4.4609515679756155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_N-7R!H->C + Total Standard Deviation in ln(k): 4.443152572239354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_N-7R!H->C +Total Standard Deviation in ln(k): 4.443152572239354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_6R!H->C_Ext-1BrCClN-R_N-Sp-7R!H-1BrCClN_N-7R!H->C +Total Standard Deviation in ln(k): 4.443152572239354 +""", +) + +entry( + index = 1055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C", + kinetics = ArrheniusBM(A=(5.47077e-09,'m^3/(mol*s)'), n=4.20676, w0=(411,'kJ/mol'), E0=(-1.17355e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04180101901432067, var=16.306281270259618, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C + Total Standard Deviation in ln(k): 8.200355764480149"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C +Total Standard Deviation in ln(k): 8.200355764480149""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C +Total Standard Deviation in ln(k): 8.200355764480149 +""", +) + +entry( + index = 1056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(0.00112443,'m^3/(mol*s)'), n=2.71199, w0=(411,'kJ/mol'), E0=(1.96122e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1798611247510479, var=3.805404001118015, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 4.362638246921309"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.362638246921309""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 4.362638246921309 +""", +) + +entry( + index = 1057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.00450839,'m^3/(mol*s)'), n=2.56898, w0=(411,'kJ/mol'), E0=(-0.508818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08530912370592214, var=7.583325978999512, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C + Total Standard Deviation in ln(k): 5.734951788657405"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 5.734951788657405""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_7R!H->C +Total Standard Deviation in ln(k): 5.734951788657405 +""", +) + +entry( + index = 1058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000221088,'m^3/(mol*s)'), n=2.88458, w0=(411,'kJ/mol'), E0=(3.85156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10376402039417197, var=13.151195038475834, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C + Total Standard Deviation in ln(k): 7.530800463240547"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 7.530800463240547""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_N-5R!H->C_N-6R!H->C_Ext-1BrCClN-R_N-7R!H->C +Total Standard Deviation in ln(k): 7.530800463240547 +""", +) + +entry( + index = 1059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-1BrCClN-R", + kinetics = ArrheniusBM(A=(2.61034e-13,'m^3/(mol*s)'), n=5.84404, w0=(411,'kJ/mol'), E0=(34.6689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-1BrCClN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-1BrCClN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Sp-6R!H-1BrCClN_Ext-1BrCClN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN", + kinetics = ArrheniusBM(A=(7.70897e-12,'m^3/(mol*s)'), n=5.33157, w0=(411,'kJ/mol'), E0=(34.3044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47640983923613184, var=4.60436698748273, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN + Total Standard Deviation in ln(k): 5.4987278286760946"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN +Total Standard Deviation in ln(k): 5.4987278286760946""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN +Total Standard Deviation in ln(k): 5.4987278286760946 +""", +) + +entry( + index = 1061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.76977e-07,'m^3/(mol*s)'), n=3.87172, w0=(411,'kJ/mol'), E0=(54.7997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005982285221024413, var=6.8586848541884455, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.265249797059449"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.265249797059449""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.265249797059449 +""", +) + +entry( + index = 1062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C", + kinetics = ArrheniusBM(A=(8.09157e-07,'m^3/(mol*s)'), n=3.88755, w0=(411,'kJ/mol'), E0=(61.3263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0344458960316832, var=4.713326818067872, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C + Total Standard Deviation in ln(k): 4.438866953176403"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C +Total Standard Deviation in ln(k): 4.438866953176403""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C +Total Standard Deviation in ln(k): 4.438866953176403 +""", +) + +entry( + index = 1063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.28461e-10,'m^3/(mol*s)'), n=4.81787, w0=(411,'kJ/mol'), E0=(57.6835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32319092410321154, var=5.279759102816743, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 5.418462908021042"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 5.418462908021042""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 5.418462908021042 +""", +) + +entry( + index = 1064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C", + kinetics = ArrheniusBM(A=(3.56316e-09,'m^3/(mol*s)'), n=4.45522, w0=(411,'kJ/mol'), E0=(53.2443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07203686822645881, var=1.6764559155367507, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C + Total Standard Deviation in ln(k): 2.7766885563271355"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 2.7766885563271355""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 2.7766885563271355 +""", +) + +entry( + index = 1065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C", + kinetics = ArrheniusBM(A=(2.26447e-09,'m^3/(mol*s)'), n=4.59284, w0=(411,'kJ/mol'), E0=(53.5835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1599705237142015, var=0.08430081174318721, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C + Total Standard Deviation in ln(k): 0.9840028415344465"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 0.9840028415344465""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_Sp-8C=5C +Total Standard Deviation in ln(k): 0.9840028415344465 +""", +) + +entry( + index = 1066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C", + kinetics = ArrheniusBM(A=(5.72843e-09,'m^3/(mol*s)'), n=4.31494, w0=(411,'kJ/mol'), E0=(52.929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015707241319942906, var=6.834577829186997, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C + Total Standard Deviation in ln(k): 5.280449457754595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 5.280449457754595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_8R!H->C_N-Sp-8C=5C +Total Standard Deviation in ln(k): 5.280449457754595 +""", +) + +entry( + index = 1067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.54124e-08,'m^3/(mol*s)'), n=4.5702, w0=(411,'kJ/mol'), E0=(76.0289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12988777534621773, var=37.850429558170674, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_N-8R!H->C + Total Standard Deviation in ln(k): 12.660023223745505"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 12.660023223745505""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_5R!H->C_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 12.660023223745505 +""", +) + +entry( + index = 1068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.16355e-08,'m^3/(mol*s)'), n=4.10081, w0=(411,'kJ/mol'), E0=(22.5951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1262301668700225, var=71.57372622306433, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_N-5R!H->C + Total Standard Deviation in ln(k): 17.27747189780372"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_N-5R!H->C +Total Standard Deviation in ln(k): 17.27747189780372""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_Ext-6R!H-R_N-5R!H->C +Total Standard Deviation in ln(k): 17.27747189780372 +""", +) + +entry( + index = 1069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C", + kinetics = ArrheniusBM(A=(3.5563e-10,'m^3/(mol*s)'), n=4.89247, w0=(411,'kJ/mol'), E0=(36.2865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33694579644064226, var=2.9616357513336076, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C + Total Standard Deviation in ln(k): 4.296627000980544"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C +Total Standard Deviation in ln(k): 4.296627000980544""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C +Total Standard Deviation in ln(k): 4.296627000980544 +""", +) + +entry( + index = 1070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(8.74578e-10,'m^3/(mol*s)'), n=4.78544, w0=(411,'kJ/mol'), E0=(38.452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6841876525926066, var=3.8254214035180127, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C + Total Standard Deviation in ln(k): 5.64006254726265"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 5.64006254726265""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 5.64006254726265 +""", +) + +entry( + index = 1071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.41817e-10,'m^3/(mol*s)'), n=4.91507, w0=(411,'kJ/mol'), E0=(37.8651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7580017047960433, var=4.459613452722776, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 6.138085713718661"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 6.138085713718661""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 6.138085713718661 +""", +) + +entry( + index = 1072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C", + kinetics = ArrheniusBM(A=(3.1192e-11,'m^3/(mol*s)'), n=5.21109, w0=(411,'kJ/mol'), E0=(34.33,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6899648531547948, var=1.2069610537579858, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C + Total Standard Deviation in ln(k): 3.9360176581077115"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 3.9360176581077115""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 3.9360176581077115 +""", +) + +entry( + index = 1073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C", + kinetics = ArrheniusBM(A=(2.37796e-11,'m^3/(mol*s)'), n=5.26546, w0=(411,'kJ/mol'), E0=(35.0401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.839951258276364, var=1.1672038521729158, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C + Total Standard Deviation in ln(k): 4.27629012200831"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 4.27629012200831""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 4.27629012200831 +""", +) + +entry( + index = 1074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(2.76466e-09,'m^3/(mol*s)'), n=4.30946, w0=(411,'kJ/mol'), E0=(21.8648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05927337257201256, var=8.14918102636414, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C + Total Standard Deviation in ln(k): 5.871799276816753"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 5.871799276816753""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 5.871799276816753 +""", +) + +entry( + index = 1075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(7.45164e-09,'m^3/(mol*s)'), n=4.56472, w0=(411,'kJ/mol'), E0=(54.1931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17722079955252382, var=115.03859360530689, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C + Total Standard Deviation in ln(k): 21.947274118507572"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.947274118507572""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.947274118507572 +""", +) + +entry( + index = 1076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(9.86774e-08,'m^3/(mol*s)'), n=4.09533, w0=(411,'kJ/mol'), E0=(20.2865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2284328595796929, var=0.19994409033761829, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 1.4703713679287913"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 1.4703713679287913""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 1.4703713679287913 +""", +) + +entry( + index = 1077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.54707e-06,'m^3/(mol*s)'), n=3.63797, w0=(411,'kJ/mol'), E0=(51.9976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10124046342172266, var=3.652791354614642, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C + Total Standard Deviation in ln(k): 4.085878252249913"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C +Total Standard Deviation in ln(k): 4.085878252249913""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C +Total Standard Deviation in ln(k): 4.085878252249913 +""", +) + +entry( + index = 1078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(4.52792e-06,'m^3/(mol*s)'), n=3.55916, w0=(411,'kJ/mol'), E0=(54.6614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06973467073057739, var=4.301435585034171, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C + Total Standard Deviation in ln(k): 4.3330137583805985"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 4.3330137583805985""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 4.3330137583805985 +""", +) + +entry( + index = 1079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.41665e-08,'m^3/(mol*s)'), n=4.07422, w0=(411,'kJ/mol'), E0=(54.5753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010543067308422829, var=3.7725849404302267, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.9203157792365135"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.9203157792365135""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.9203157792365135 +""", +) + +entry( + index = 1080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C", + kinetics = ArrheniusBM(A=(3.73368e-09,'m^3/(mol*s)'), n=4.32899, w0=(411,'kJ/mol'), E0=(47.3666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01860665034545457, var=2.8007659646719367, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C + Total Standard Deviation in ln(k): 3.401772587658902"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 3.401772587658902""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 3.401772587658902 +""", +) + +entry( + index = 1081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C", + kinetics = ArrheniusBM(A=(2.32035e-09,'m^3/(mol*s)'), n=4.4694, w0=(411,'kJ/mol'), E0=(59.185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0843213311984381, var=2.1612830137357273, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C + Total Standard Deviation in ln(k): 3.159084363831928"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 3.159084363831928""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 3.159084363831928 +""", +) + +entry( + index = 1082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(5.86897e-09,'m^3/(mol*s)'), n=4.1915, w0=(411,'kJ/mol'), E0=(35.4578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11159845921679656, var=5.421928201179482, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C + Total Standard Deviation in ln(k): 4.948430633071383"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 4.948430633071383""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 4.948430633071383 +""", +) + +entry( + index = 1083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.58089e-08,'m^3/(mol*s)'), n=4.44676, w0=(411,'kJ/mol'), E0=(61.5988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055513514792302994, var=29.14556239305551, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C + Total Standard Deviation in ln(k): 10.96237031822793"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.96237031822793""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.96237031822793 +""", +) + +entry( + index = 1084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.10018e-07,'m^3/(mol*s)'), n=3.97737, w0=(411,'kJ/mol'), E0=(41.0965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20774091895570101, var=4.0777439046950485, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 4.5702087379693"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 4.5702087379693""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-Sp-6R!H-1BrCClN_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 4.5702087379693 +""", +) + +entry( + index = 1085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(86.3479,'m^3/(mol*s)'), n=1.9315, w0=(411,'kJ/mol'), E0=(40.7158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.267379937440527, var=69.46179643694585, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R + Total Standard Deviation in ln(k): 27.430272827792606"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R +Total Standard Deviation in ln(k): 27.430272827792606""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R +Total Standard Deviation in ln(k): 27.430272827792606 +""", +) + +entry( + index = 1086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(262.442,'m^3/(mol*s)'), n=1.82772, w0=(411,'kJ/mol'), E0=(41.7651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.969216904233665, var=80.16146554392577, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 30.434451263475026"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 30.434451263475026""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 30.434451263475026 +""", +) + +entry( + index = 1087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_7R!H->C", + kinetics = ArrheniusBM(A=(0.00416281,'m^3/(mol*s)'), n=3.21892, w0=(411,'kJ/mol'), E0=(25.8321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.333860348197628, var=70.83986558665933, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_7R!H->C + Total Standard Deviation in ln(k): 30.27479697850677"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_7R!H->C +Total Standard Deviation in ln(k): 30.27479697850677""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_7R!H->C +Total Standard Deviation in ln(k): 30.27479697850677 +""", +) + +entry( + index = 1088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.62088e-08,'m^3/(mol*s)'), n=4.33065, w0=(411,'kJ/mol'), E0=(52.6884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01817626933319523, var=162.94666600797183, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_N-7R!H->C + Total Standard Deviation in ln(k): 25.636225435800757"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_N-7R!H->C +Total Standard Deviation in ln(k): 25.636225435800757""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_Sp-7R!H=5R!H_N-7R!H->C +Total Standard Deviation in ln(k): 25.636225435800757 +""", +) + +entry( + index = 1089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(2.09805e-08,'m^3/(mol*s)'), n=4.07539, w0=(411,'kJ/mol'), E0=(15.5541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.414475121204784, var=25.73455291057722, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.211262476850907"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.211262476850907""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.211262476850907 +""", +) + +entry( + index = 1090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_5R!H->C", + kinetics = ArrheniusBM(A=(1.05715e-06,'m^3/(mol*s)'), n=3.93325, w0=(411,'kJ/mol'), E0=(23.7572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5692134587106766, var=2.4819639774297153, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_5R!H->C + Total Standard Deviation in ln(k): 4.588494358708069"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_5R!H->C +Total Standard Deviation in ln(k): 4.588494358708069""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_5R!H->C +Total Standard Deviation in ln(k): 4.588494358708069 +""", +) + +entry( + index = 1091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-5R!H->C", + kinetics = ArrheniusBM(A=(7.48545e-07,'m^3/(mol*s)'), n=3.86126, w0=(411,'kJ/mol'), E0=(16.2572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5993159399059245, var=3.280671991517067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-5R!H->C + Total Standard Deviation in ln(k): 5.136920494294877"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-5R!H->C +Total Standard Deviation in ln(k): 5.136920494294877""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_Ext-1BrCClN-R_N-Sp-6R!H#1BrBrBrCCCClClClNNN_N-5R!H->C +Total Standard Deviation in ln(k): 5.136920494294877 +""", +) + +entry( + index = 1092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C", + kinetics = ArrheniusBM(A=(1.98108e-07,'m^3/(mol*s)'), n=3.74568, w0=(411,'kJ/mol'), E0=(43.5812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3662071445502995, var=10.45044653928336, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C + Total Standard Deviation in ln(k): 9.91341850654932"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C +Total Standard Deviation in ln(k): 9.91341850654932""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C +Total Standard Deviation in ln(k): 9.91341850654932 +""", +) + +entry( + index = 1093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C", + kinetics = ArrheniusBM(A=(2.22036e-07,'m^3/(mol*s)'), n=3.72133, w0=(411,'kJ/mol'), E0=(43.1618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7885248687445354, var=13.291854908413974, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C + Total Standard Deviation in ln(k): 11.802643471395339"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C +Total Standard Deviation in ln(k): 11.802643471395339""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C +Total Standard Deviation in ln(k): 11.802643471395339 +""", +) + +entry( + index = 1094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.42815e-07,'m^3/(mol*s)'), n=3.70596, w0=(411,'kJ/mol'), E0=(42.3652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.130434182838517, var=15.300571130271146, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 13.194560305260907"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 13.194560305260907""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 13.194560305260907 +""", +) + +entry( + index = 1095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(4.58018e-10,'m^3/(mol*s)'), n=4.74038, w0=(411,'kJ/mol'), E0=(66.8355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2728857422894126, var=6.560146206357581, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C + Total Standard Deviation in ln(k): 5.820326892865976"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 5.820326892865976""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 5.820326892865976 +""", +) + +entry( + index = 1096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_6R!H->C", + kinetics = ArrheniusBM(A=(2.69453e-10,'m^3/(mol*s)'), n=4.69852, w0=(411,'kJ/mol'), E0=(47.4245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30252907116788447, var=1.2979111427886698, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_6R!H->C + Total Standard Deviation in ln(k): 3.0440358387797115"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_6R!H->C +Total Standard Deviation in ln(k): 3.0440358387797115""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_6R!H->C +Total Standard Deviation in ln(k): 3.0440358387797115 +""", +) + +entry( + index = 1097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.83022e-09,'m^3/(mol*s)'), n=4.67588, w0=(411,'kJ/mol'), E0=(87.1493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24618082635971086, var=5.999994305614963, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_N-6R!H->C + Total Standard Deviation in ln(k): 5.52912046869571"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_N-6R!H->C +Total Standard Deviation in ln(k): 5.52912046869571""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C_N-6R!H->C +Total Standard Deviation in ln(k): 5.52912046869571 +""", +) + +entry( + index = 1098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(6.57062e-07,'m^3/(mol*s)'), n=3.55166, w0=(411,'kJ/mol'), E0=(39.6878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.33784289121193, var=29.123170308634148, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + Total Standard Deviation in ln(k): 19.205270725012582"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 19.205270725012582""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 19.205270725012582 +""", +) + +entry( + index = 1099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.43655e-08,'m^3/(mol*s)'), n=4.20649, w0=(411,'kJ/mol'), E0=(51.9409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08470552552500704, var=55.777657049543926, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_N-5R!H->C + Total Standard Deviation in ln(k): 15.1850797841719"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_N-5R!H->C +Total Standard Deviation in ln(k): 15.1850797841719""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_1BrCClN->C_N-5R!H->C +Total Standard Deviation in ln(k): 15.1850797841719 +""", +) + +entry( + index = 1100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C", + kinetics = ArrheniusBM(A=(11.0814,'m^3/(mol*s)'), n=1.7157, w0=(419.5,'kJ/mol'), E0=(15.4592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.034107441930258456, var=0.827372077710425, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C + Total Standard Deviation in ln(k): 1.9092040259926768"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C +Total Standard Deviation in ln(k): 1.9092040259926768""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C +Total Standard Deviation in ln(k): 1.9092040259926768 +""", +) + +entry( + index = 1101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.0726449,'m^3/(mol*s)'), n=2.3543, w0=(419.5,'kJ/mol'), E0=(2.7412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.044230667703575074, var=1.2261865487516797, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R + Total Standard Deviation in ln(k): 2.3310417975620172"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R +Total Standard Deviation in ln(k): 2.3310417975620172""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R +Total Standard Deviation in ln(k): 2.3310417975620172 +""", +) + +entry( + index = 1102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.0320114,'m^3/(mol*s)'), n=2.52889, w0=(419.5,'kJ/mol'), E0=(4.30498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_Ext-3C-R_N-1BrCClHN->H_N-1BrCClN->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl", + kinetics = ArrheniusBM(A=(294.672,'m^3/(mol*s)'), n=0.965833, w0=(419.5,'kJ/mol'), E0=(6.84473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06638809757358884, var=1.303303573271649, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl + Total Standard Deviation in ln(k): 2.4554563767772577"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl +Total Standard Deviation in ln(k): 2.4554563767772577""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl +Total Standard Deviation in ln(k): 2.4554563767772577 +""", +) + +entry( + index = 1104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.367309,'m^3/(mol*s)'), n=2.0515, w0=(419.5,'kJ/mol'), E0=(20.0218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0709680184254646, var=2.3417303702973182, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R + Total Standard Deviation in ln(k): 5.75866304894137"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 5.75866304894137""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 5.75866304894137 +""", +) + +entry( + index = 1105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.29776,'m^3/(mol*s)'), n=2.0785, w0=(419.5,'kJ/mol'), E0=(19.7,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(15.3642,'m^3/(mol*s)'), n=1.28553, w0=(419.5,'kJ/mol'), E0=(1.78966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.05946248917873, var=3.3004538400346433, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C + Total Standard Deviation in ln(k): 6.303998586970461"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 6.303998586970461""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 6.303998586970461 +""", +) + +entry( + index = 1107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(7.10334,'m^3/(mol*s)'), n=1.37403, w0=(419.5,'kJ/mol'), E0=(6.38085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_1BrCClHN->Cl_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl", + kinetics = ArrheniusBM(A=(3.84533e-07,'m^3/(mol*s)'), n=3.70337, w0=(411.318,'kJ/mol'), E0=(28.3701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.44372838326471103, var=2.7246098322461063, Tref=1000.0, N=274, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl',), comment="""BM rule fitted to 274 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl + Total Standard Deviation in ln(k): 4.423989778364195"""), + rank = 11, + shortDesc = """BM rule fitted to 274 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl +Total Standard Deviation in ln(k): 4.423989778364195""", + longDesc = +""" +BM rule fitted to 274 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl +Total Standard Deviation in ln(k): 4.423989778364195 +""", +) + +entry( + index = 1109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(6.07e-12,'m^3/(mol*s)'), n=5.21947, w0=(411,'kJ/mol'), E0=(20.5494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06276605132887224, var=5.312673303582281, Tref=1000.0, N=252, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R',), comment="""BM rule fitted to 252 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 4.778465056388036"""), + rank = 11, + shortDesc = """BM rule fitted to 252 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.778465056388036""", + longDesc = +""" +BM rule fitted to 252 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.778465056388036 +""", +) + +entry( + index = 1110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S", + kinetics = ArrheniusBM(A=(0.0087807,'m^3/(mol*s)'), n=2.56634, w0=(411,'kJ/mol'), E0=(57.3789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23649147702569384, var=7.317300885665307, Tref=1000.0, N=66, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S',), comment="""BM rule fitted to 66 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S + Total Standard Deviation in ln(k): 6.017110306878282"""), + rank = 11, + shortDesc = """BM rule fitted to 66 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S +Total Standard Deviation in ln(k): 6.017110306878282""", + longDesc = +""" +BM rule fitted to 66 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S +Total Standard Deviation in ln(k): 6.017110306878282 +""", +) + +entry( + index = 1111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(0.00913466,'m^3/(mol*s)'), n=2.55504, w0=(411,'kJ/mol'), E0=(56.3613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24711711023664085, var=7.706851478668589, Tref=1000.0, N=58, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R',), comment="""BM rule fitted to 58 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 6.1862857355418726"""), + rank = 11, + shortDesc = """BM rule fitted to 58 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 6.1862857355418726""", + longDesc = +""" +BM rule fitted to 58 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 6.1862857355418726 +""", +) + +entry( + index = 1112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.556938,'m^3/(mol*s)'), n=2.03157, w0=(411,'kJ/mol'), E0=(63.7811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3043552183264103, var=7.156307026749376, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.127633496681269"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.127633496681269""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.127633496681269 +""", +) + +entry( + index = 1113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN", + kinetics = ArrheniusBM(A=(3.12513e-06,'m^3/(mol*s)'), n=3.51511, w0=(411,'kJ/mol'), E0=(43.5591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13429679301240965, var=1.8702271066939478, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN + Total Standard Deviation in ln(k): 3.0790295803600354"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 3.0790295803600354""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 3.0790295803600354 +""", +) + +entry( + index = 1114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.52692e-08,'m^3/(mol*s)'), n=4.2225, w0=(411,'kJ/mol'), E0=(40.0755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06914552501574643, var=2.166441210345268, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 3.1244690748617536"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 3.1244690748617536""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 3.1244690748617536 +""", +) + +entry( + index = 1115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.00391e-07,'m^3/(mol*s)'), n=3.94487, w0=(411,'kJ/mol'), E0=(37.291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009165568895900018, var=4.157235343710518, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 4.110543460021193"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.110543460021193""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.110543460021193 +""", +) + +entry( + index = 1116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C", + kinetics = ArrheniusBM(A=(4.12659e-07,'m^3/(mol*s)'), n=3.81174, w0=(411,'kJ/mol'), E0=(28.8339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26252940272083614, var=0.003231645107321447, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C + Total Standard Deviation in ln(k): 0.7735859129905704"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C +Total Standard Deviation in ln(k): 0.7735859129905704""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C +Total Standard Deviation in ln(k): 0.7735859129905704 +""", +) + +entry( + index = 1117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.27918e-07,'m^3/(mol*s)'), n=3.88593, w0=(411,'kJ/mol'), E0=(31.5272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.04295e-05,'m^3/(mol*s)'), n=3.26206, w0=(411,'kJ/mol'), E0=(54.3368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27118446337282953, var=5.850898569833758, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C + Total Standard Deviation in ln(k): 5.530547649901265"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.530547649901265""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.530547649901265 +""", +) + +entry( + index = 1119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.01893e-08,'m^3/(mol*s)'), n=4.19187, w0=(411,'kJ/mol'), E0=(43.6259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10977508837692788, var=19.274040198423688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 9.077046788571032"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 9.077046788571032""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-1BrCHN-R_N-7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 9.077046788571032 +""", +) + +entry( + index = 1120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(1.15555e-06,'m^3/(mol*s)'), n=3.70367, w0=(411,'kJ/mol'), E0=(47.0893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1855727482595501, var=3.406601631731209, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 4.166398994319876"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 4.166398994319876""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 4.166398994319876 +""", +) + +entry( + index = 1121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.35374e-08,'m^3/(mol*s)'), n=4.26925, w0=(411,'kJ/mol'), E0=(43.2383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1082293399867895, var=10.554392227272023, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 6.784820930924731"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.784820930924731""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.784820930924731 +""", +) + +entry( + index = 1122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.68756e-10,'m^3/(mol*s)'), n=4.70137, w0=(411,'kJ/mol'), E0=(40.9148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01090114332867364, var=8.5348661057412, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 5.884121727898778"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 5.884121727898778""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 5.884121727898778 +""", +) + +entry( + index = 1123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.36796e-07,'m^3/(mol*s)'), n=3.97505, w0=(411,'kJ/mol'), E0=(46.4713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2243187008686953, var=3.0497347602699887, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 4.0645818840660874"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.0645818840660874""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Sp-7R!H=6R!H_N-7R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.0645818840660874 +""", +) + +entry( + index = 1124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.295375,'m^3/(mol*s)'), n=2.14079, w0=(411,'kJ/mol'), E0=(51.8478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2385785317935263, var=1.4322685469670806, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.9986588169232093"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.9986588169232093""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.9986588169232093 +""", +) + +entry( + index = 1125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(11.4429,'m^3/(mol*s)'), n=1.65579, w0=(411,'kJ/mol'), E0=(52.1638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3628597501535266, var=1.8246537682153896, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 3.6196989582574837"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 3.6196989582574837""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 3.6196989582574837 +""", +) + +entry( + index = 1126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.45057e-08,'m^3/(mol*s)'), n=4.13961, w0=(411,'kJ/mol'), E0=(31.6666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11671386394708737, var=7.858221232822067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R_Ext-4C-R + Total Standard Deviation in ln(k): 5.913028335566709"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 5.913028335566709""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 5.913028335566709 +""", +) + +entry( + index = 1127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.41207e-09,'m^3/(mol*s)'), n=4.42517, w0=(411,'kJ/mol'), E0=(37.6609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03462795492502905, var=16.73128419923726, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R + Total Standard Deviation in ln(k): 8.287151717308694"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 8.287151717308694""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 8.287151717308694 +""", +) + +entry( + index = 1128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.87474e-09,'m^3/(mol*s)'), n=4.26065, w0=(411,'kJ/mol'), E0=(36.3455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07676460545280589, var=0.3909496559717578, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 1.446355887698838"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 1.446355887698838""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 1.446355887698838 +""", +) + +entry( + index = 1129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(5.84536e-09,'m^3/(mol*s)'), n=4.09221, w0=(411,'kJ/mol'), E0=(31.9383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.173664504669779, var=1.050008558667186, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 2.4905935124037333"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.4905935124037333""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.4905935124037333 +""", +) + +entry( + index = 1130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(4.17194e-06,'m^3/(mol*s)'), n=3.27501, w0=(411,'kJ/mol'), E0=(20.8321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07795455996616311, var=4.930481396624021, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 4.6473172869406385"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.6473172869406385""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_Sp-5S-1BrCHN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.6473172869406385 +""", +) + +entry( + index = 1131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN", + kinetics = ArrheniusBM(A=(2.1178e+12,'m^3/(mol*s)'), n=-1.49436, w0=(411,'kJ/mol'), E0=(109.665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6543394909283329, var=32.31192575970712, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN + Total Standard Deviation in ln(k): 13.039700927919812"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 13.039700927919812""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 13.039700927919812 +""", +) + +entry( + index = 1132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.63783e+10,'m^3/(mol*s)'), n=-0.930969, w0=(411,'kJ/mol'), E0=(84.2671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9504696611948561, var=32.10863525051544, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 13.747842205752242"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.747842205752242""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.747842205752242 +""", +) + +entry( + index = 1133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.21731e-07,'m^3/(mol*s)'), n=4.08759, w0=(411,'kJ/mol'), E0=(56.5186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1414842994492548, var=81.10378291336647, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-4C-R + Total Standard Deviation in ln(k): 18.40965892195795"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 18.40965892195795""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_Sp-7R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 18.40965892195795 +""", +) + +entry( + index = 1134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(81543.9,'m^3/(mol*s)'), n=0.671605, w0=(411,'kJ/mol'), E0=(109.632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42787098902907267, var=63.44958978900193, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 17.04382027259497"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 17.04382027259497""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 17.04382027259497 +""", +) + +entry( + index = 1135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R", + kinetics = ArrheniusBM(A=(8.28189e-08,'m^3/(mol*s)'), n=4.21878, w0=(411,'kJ/mol'), E0=(116.131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11203045441680172, var=186.81549866888125, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R + Total Standard Deviation in ln(k): 27.68229607162601"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 27.68229607162601""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Ext-6R!H-R_N-Sp-5S-1BrCHN_N-Sp-7R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 27.68229607162601 +""", +) + +entry( + index = 1136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN", + kinetics = ArrheniusBM(A=(12834.3,'m^3/(mol*s)'), n=0.871615, w0=(411,'kJ/mol'), E0=(82.6314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45601808849440156, var=17.939142906581807, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN + Total Standard Deviation in ln(k): 9.63675440961325"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN +Total Standard Deviation in ln(k): 9.63675440961325""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN +Total Standard Deviation in ln(k): 9.63675440961325 +""", +) + +entry( + index = 1137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C", + kinetics = ArrheniusBM(A=(5167.17,'m^3/(mol*s)'), n=0.971781, w0=(411,'kJ/mol'), E0=(78.1712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4955407379162069, var=21.781160532282517, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C + Total Standard Deviation in ln(k): 10.601234156041768"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C +Total Standard Deviation in ln(k): 10.601234156041768""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C +Total Standard Deviation in ln(k): 10.601234156041768 +""", +) + +entry( + index = 1138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.58115e-07,'m^3/(mol*s)'), n=4.08259, w0=(411,'kJ/mol'), E0=(73.8534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23301308146980104, var=81.1650777739153, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 18.646451742639552"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 18.646451742639552""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 18.646451742639552 +""", +) + +entry( + index = 1139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C", + kinetics = ArrheniusBM(A=(32589.7,'m^3/(mol*s)'), n=0.768702, w0=(411,'kJ/mol'), E0=(87.1172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4277684192482816, var=35.470417308541506, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C + Total Standard Deviation in ln(k): 13.01440494984391"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C +Total Standard Deviation in ln(k): 13.01440494984391""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C +Total Standard Deviation in ln(k): 13.01440494984391 +""", +) + +entry( + index = 1140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(6.41428e-08,'m^3/(mol*s)'), n=4.21884, w0=(411,'kJ/mol'), E0=(82.6948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11254098861061, var=142.55161302300044, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 24.218296794698066"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 24.218296794698066""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_Sp-5S=1BrBrCCHHNN_N-6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 24.218296794698066 +""", +) + +entry( + index = 1141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN", + kinetics = ArrheniusBM(A=(4.87113e-10,'m^3/(mol*s)'), n=4.62494, w0=(411,'kJ/mol'), E0=(21.4303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0004933815065837408, var=4.190874151549848, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN + Total Standard Deviation in ln(k): 4.105258051527146"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN +Total Standard Deviation in ln(k): 4.105258051527146""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN +Total Standard Deviation in ln(k): 4.105258051527146 +""", +) + +entry( + index = 1142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(3.96122e-07,'m^3/(mol*s)'), n=3.77823, w0=(411,'kJ/mol'), E0=(25.6073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3940846432582472, var=4.392369287871036, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 5.191682200837906"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 5.191682200837906""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 5.191682200837906 +""", +) + +entry( + index = 1143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.70616e-07,'m^3/(mol*s)'), n=3.95442, w0=(411,'kJ/mol'), E0=(28.7901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3586820152469054, var=16.95015881961536, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R_Ext-4C-R + Total Standard Deviation in ln(k): 9.154819793582675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 9.154819793582675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 9.154819793582675 +""", +) + +entry( + index = 1144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN", + kinetics = ArrheniusBM(A=(2.33494e-12,'m^3/(mol*s)'), n=5.25055, w0=(411,'kJ/mol'), E0=(22.5383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06173766587756006, var=5.0040267565505046, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN + Total Standard Deviation in ln(k): 4.639648393944508"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN +Total Standard Deviation in ln(k): 4.639648393944508""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN +Total Standard Deviation in ln(k): 4.639648393944508 +""", +) + +entry( + index = 1145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.54624e-08,'m^3/(mol*s)'), n=4.23967, w0=(411,'kJ/mol'), E0=(36.3955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10972389302616219, var=1.7910905356263183, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 2.958657817259197"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 2.958657817259197""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_Sp-6R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 2.958657817259197 +""", +) + +entry( + index = 1146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN", + kinetics = ArrheniusBM(A=(2.43361e-10,'m^3/(mol*s)'), n=4.76311, w0=(411,'kJ/mol'), E0=(16.9862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5438974551856692, var=20.229207607948883, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN + Total Standard Deviation in ln(k): 10.383251708494697"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN +Total Standard Deviation in ln(k): 10.383251708494697""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN +Total Standard Deviation in ln(k): 10.383251708494697 +""", +) + +entry( + index = 1147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.02226e-09,'m^3/(mol*s)'), n=4.57919, w0=(411,'kJ/mol'), E0=(20.0909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18100541455184047, var=71.78067487320132, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 17.43960001578153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 17.43960001578153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Ext-1BrCHN-R_N-Sp-5S=1BrBrCCHHNN_N-Sp-6R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 17.43960001578153 +""", +) + +entry( + index = 1148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN", + kinetics = ArrheniusBM(A=(3.97204e-19,'m^3/(mol*s)'), n=7.19411, w0=(411,'kJ/mol'), E0=(13.0409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24801784472190738, var=7.648775360308206, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN + Total Standard Deviation in ln(k): 6.167539829760916"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 6.167539829760916""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 6.167539829760916 +""", +) + +entry( + index = 1149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.18177e-09,'m^3/(mol*s)'), n=4.49952, w0=(411,'kJ/mol'), E0=(43.12,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11832276523940927, var=6.676325216175211, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 5.477245331584132"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 5.477245331584132""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_Sp-5S-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 5.477245331584132 +""", +) + +entry( + index = 1150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN", + kinetics = ArrheniusBM(A=(0.112906,'m^3/(mol*s)'), n=2.39617, w0=(411,'kJ/mol'), E0=(70.5546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27237495856241417, var=16.145022375564277, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN + Total Standard Deviation in ln(k): 8.73955895469766"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 8.73955895469766""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN +Total Standard Deviation in ln(k): 8.73955895469766 +""", +) + +entry( + index = 1151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.21798e-07,'m^3/(mol*s)'), n=4.21656, w0=(411,'kJ/mol'), E0=(77.6333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12296440057616596, var=23.417156342878425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 10.010124709761257"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 10.010124709761257""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_5R!H->S_N-Sp-5S-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 10.010124709761257 +""", +) + +entry( + index = 1152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S", + kinetics = ArrheniusBM(A=(1.07831e-12,'m^3/(mol*s)'), n=5.43626, w0=(411,'kJ/mol'), E0=(17.1268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1177498414085879, var=5.358839962957308, Tref=1000.0, N=186, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S',), comment="""BM rule fitted to 186 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S + Total Standard Deviation in ln(k): 4.9366488575867"""), + rank = 11, + shortDesc = """BM rule fitted to 186 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S +Total Standard Deviation in ln(k): 4.9366488575867""", + longDesc = +""" +BM rule fitted to 186 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S +Total Standard Deviation in ln(k): 4.9366488575867 +""", +) + +entry( + index = 1153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F", + kinetics = ArrheniusBM(A=(4.43747e-14,'m^3/(mol*s)'), n=5.85482, w0=(411,'kJ/mol'), E0=(12.2256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06833609369767749, var=1.3367938745290966, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F + Total Standard Deviation in ln(k): 2.489569466328533"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F +Total Standard Deviation in ln(k): 2.489569466328533""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F +Total Standard Deviation in ln(k): 2.489569466328533 +""", +) + +entry( + index = 1154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.19455e-13,'m^3/(mol*s)'), n=5.74202, w0=(411,'kJ/mol'), E0=(13.7199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04106813993358518, var=1.3359674298154556, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 2.4203404214812125"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.4203404214812125""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.4203404214812125 +""", +) + +entry( + index = 1155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(3.86832e-10,'m^3/(mol*s)'), n=4.78505, w0=(411,'kJ/mol'), E0=(25.3234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06862457911437313, var=1.4727755245056593, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 2.6053292241695485"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.6053292241695485""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.6053292241695485 +""", +) + +entry( + index = 1156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_6R!H->Br", + kinetics = ArrheniusBM(A=(2.76522e-09,'m^3/(mol*s)'), n=4.56327, w0=(411,'kJ/mol'), E0=(25.4337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_6R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_6R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_6R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_6R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br", + kinetics = ArrheniusBM(A=(2.23514e-10,'m^3/(mol*s)'), n=4.85101, w0=(411,'kJ/mol'), E0=(24.8614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06966466483416116, var=1.6422757487195374, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br + Total Standard Deviation in ln(k): 2.7441310499935296"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br +Total Standard Deviation in ln(k): 2.7441310499935296""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br +Total Standard Deviation in ln(k): 2.7441310499935296 +""", +) + +entry( + index = 1158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C", + kinetics = ArrheniusBM(A=(8.06744e-13,'m^3/(mol*s)'), n=5.56187, w0=(411,'kJ/mol'), E0=(8.63726,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09035159159785885, var=0.8029255943543333, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C + Total Standard Deviation in ln(k): 2.0233792791154164"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C +Total Standard Deviation in ln(k): 2.0233792791154164""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C +Total Standard Deviation in ln(k): 2.0233792791154164 +""", +) + +entry( + index = 1159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.0456e-12,'m^3/(mol*s)'), n=5.53039, w0=(411,'kJ/mol'), E0=(8.61525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08893218636429263, var=0.9976481097131421, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R + Total Standard Deviation in ln(k): 2.2258239355955807"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.2258239355955807""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.2258239355955807 +""", +) + +entry( + index = 1160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(1.65286e-08,'m^3/(mol*s)'), n=4.3912, w0=(411,'kJ/mol'), E0=(19.627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(3.85454e-13,'m^3/(mol*s)'), n=5.6418, w0=(411,'kJ/mol'), E0=(6.06309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11395676430444694, var=0.8341800736028242, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 2.1173174187163273"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 2.1173174187163273""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 2.1173174187163273 +""", +) + +entry( + index = 1162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R", + kinetics = ArrheniusBM(A=(5.0238e-13,'m^3/(mol*s)'), n=5.62684, w0=(411,'kJ/mol'), E0=(8.02094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13342959457774337, var=1.321337648957478, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R + Total Standard Deviation in ln(k): 2.6396822209230093"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R +Total Standard Deviation in ln(k): 2.6396822209230093""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R +Total Standard Deviation in ln(k): 2.6396822209230093 +""", +) + +entry( + index = 1163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(7.01368e-13,'m^3/(mol*s)'), n=5.64708, w0=(411,'kJ/mol'), E0=(7.20564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0007257537228019495, var=1.7911328668118378, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 2.684824850520951"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 2.684824850520951""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 2.684824850520951 +""", +) + +entry( + index = 1164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(2.14662e-09,'m^3/(mol*s)'), n=4.6113, w0=(411,'kJ/mol'), E0=(26.5981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_N-8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(4.49664e-09,'m^3/(mol*s)'), n=4.59338, w0=(411,'kJ/mol'), E0=(22.6554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_N-8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_N-8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_Ext-6C-R_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_8BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(1.45419e-09,'m^3/(mol*s)'), n=4.5882, w0=(411,'kJ/mol'), E0=(32.8923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_8BrCFINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_8BrCFINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_8BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_8BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_N-8BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(5.4981e-10,'m^3/(mol*s)'), n=4.67942, w0=(411,'kJ/mol'), E0=(23.654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_N-8BrCFINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_N-8BrCFINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_N-8BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_6CFO->C_Ext-6C-R_N-8R!H->Cl_Ext-6C-R_N-8BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C", + kinetics = ArrheniusBM(A=(2.08931e-10,'m^3/(mol*s)'), n=4.83368, w0=(411,'kJ/mol'), E0=(29.8297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1942131134644835, var=4.778108069389785, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C + Total Standard Deviation in ln(k): 4.870099784866873"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C +Total Standard Deviation in ln(k): 4.870099784866873""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C +Total Standard Deviation in ln(k): 4.870099784866873 +""", +) + +entry( + index = 1169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.14341e-08,'m^3/(mol*s)'), n=4.29337, w0=(411,'kJ/mol'), E0=(35.6605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00898369412706577, var=9.70654007841286, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R + Total Standard Deviation in ln(k): 6.2683885210192445"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.2683885210192445""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.2683885210192445 +""", +) + +entry( + index = 1170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_8R!H->F", + kinetics = ArrheniusBM(A=(8.23788e-11,'m^3/(mol*s)'), n=5.02847, w0=(411,'kJ/mol'), E0=(27.9929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_8R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_8R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_8R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_8R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_N-8R!H->F", + kinetics = ArrheniusBM(A=(1.3455e-12,'m^3/(mol*s)'), n=5.29789, w0=(411,'kJ/mol'), E0=(27.5038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_N-8R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_N-8R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_N-8R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_Ext-1BrCHN-R_N-6R!H->Br_N-6CFO->C_Ext-4C-R_N-8R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C", + kinetics = ArrheniusBM(A=(7.78025e-14,'m^3/(mol*s)'), n=5.67947, w0=(411,'kJ/mol'), E0=(12.9022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09658297576695535, var=0.48735436255339937, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C + Total Standard Deviation in ln(k): 1.6421917898918623"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C +Total Standard Deviation in ln(k): 1.6421917898918623""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C +Total Standard Deviation in ln(k): 1.6421917898918623 +""", +) + +entry( + index = 1173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(7.44993e-14,'m^3/(mol*s)'), n=5.67249, w0=(411,'kJ/mol'), E0=(10.2929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08843081414960346, var=0.48603104590961344, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 1.6198076157080712"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.6198076157080712""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.6198076157080712 +""", +) + +entry( + index = 1174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(8.51315e-10,'m^3/(mol*s)'), n=4.42384, w0=(411,'kJ/mol'), E0=(37.1357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.04557e-11,'m^3/(mol*s)'), n=5.08596, w0=(411,'kJ/mol'), E0=(23.802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025650335865769487, var=0.40650106714460277, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.3426157681153594"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.3426157681153594""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.3426157681153594 +""", +) + +entry( + index = 1176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(9.7727e-11,'m^3/(mol*s)'), n=4.81025, w0=(411,'kJ/mol'), E0=(26.1425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0902820441481746, var=1.563871904289534, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 2.733858034132502"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.733858034132502""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.733858034132502 +""", +) + +entry( + index = 1177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(6.668e-10,'m^3/(mol*s)'), n=4.62141, w0=(411,'kJ/mol'), E0=(27.7,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_6R!H->C_Ext-6C-R_N-7R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.45701e-10,'m^3/(mol*s)'), n=4.77171, w0=(411,'kJ/mol'), E0=(27.9595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04169963105230663, var=0.14973590477265605, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C + Total Standard Deviation in ln(k): 0.8805196927089645"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C +Total Standard Deviation in ln(k): 0.8805196927089645""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C +Total Standard Deviation in ln(k): 0.8805196927089645 +""", +) + +entry( + index = 1179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_6BrFO->O", + kinetics = ArrheniusBM(A=(9.61508e-10,'m^3/(mol*s)'), n=4.61828, w0=(411,'kJ/mol'), E0=(26.2058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_6BrFO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_6BrFO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_6BrFO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_6BrFO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_N-6BrFO->O", + kinetics = ArrheniusBM(A=(6.99135e-11,'m^3/(mol*s)'), n=4.99673, w0=(411,'kJ/mol'), E0=(28.9674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_N-6BrFO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_N-6BrFO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_N-6BrFO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-1BrCHN-R_N-6R!H->C_N-6BrFO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.1778e-09,'m^3/(mol*s)'), n=4.46625, w0=(411,'kJ/mol'), E0=(32.6914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_5BrCClFINOPSi->F_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F", + kinetics = ArrheniusBM(A=(3.63407e-12,'m^3/(mol*s)'), n=5.27896, w0=(411,'kJ/mol'), E0=(18.7752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11217830344969283, var=6.639084022195177, Tref=1000.0, N=166, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F',), comment="""BM rule fitted to 166 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F + Total Standard Deviation in ln(k): 5.447339643206846"""), + rank = 11, + shortDesc = """BM rule fitted to 166 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F +Total Standard Deviation in ln(k): 5.447339643206846""", + longDesc = +""" +BM rule fitted to 166 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F +Total Standard Deviation in ln(k): 5.447339643206846 +""", +) + +entry( + index = 1183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl", + kinetics = ArrheniusBM(A=(0.0851086,'m^3/(mol*s)'), n=2.31094, w0=(411,'kJ/mol'), E0=(49.8804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19060863853976834, var=2.541036495000847, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl + Total Standard Deviation in ln(k): 3.674589966960753"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl +Total Standard Deviation in ln(k): 3.674589966960753""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl +Total Standard Deviation in ln(k): 3.674589966960753 +""", +) + +entry( + index = 1184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(0.317531,'m^3/(mol*s)'), n=2.12737, w0=(411,'kJ/mol'), E0=(49.73,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22361086785297699, var=2.6448284888000027, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 3.8221227076996747"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 3.8221227076996747""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 3.8221227076996747 +""", +) + +entry( + index = 1185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.19242e-07,'m^3/(mol*s)'), n=4.0802, w0=(411,'kJ/mol'), E0=(20.9932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13438001697047292, var=4.967774925787369, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 4.805893181604959"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.805893181604959""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.805893181604959 +""", +) + +entry( + index = 1186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.7061e-09,'m^3/(mol*s)'), n=4.40663, w0=(411,'kJ/mol'), E0=(19.7867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14695333507508512, var=1.8826384125105509, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R + Total Standard Deviation in ln(k): 3.1199118758942417"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.1199118758942417""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.1199118758942417 +""", +) + +entry( + index = 1187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.84028e-07,'m^3/(mol*s)'), n=3.88728, w0=(411,'kJ/mol'), E0=(21.2321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0027244057012007707, var=0.00014080179177794746, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.030633413011152483"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.030633413011152483""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.030633413011152483 +""", +) + +entry( + index = 1188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.15416e-07,'m^3/(mol*s)'), n=3.86205, w0=(411,'kJ/mol'), E0=(19.9512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.37723e-07,'m^3/(mol*s)'), n=3.92898, w0=(411,'kJ/mol'), E0=(21.4109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.04726,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(42.3624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.25564e-08,'m^3/(mol*s)'), n=4.51739, w0=(411,'kJ/mol'), E0=(31.1403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-1BrCHN-R_Ext-4C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.74679e-07,'m^3/(mol*s)'), n=3.71525, w0=(411,'kJ/mol'), E0=(38.2114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4150663369819779, var=3.4801827427695637, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.78276322829196"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.78276322829196""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.78276322829196 +""", +) + +entry( + index = 1193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.00764e-06,'m^3/(mol*s)'), n=3.6154, w0=(411,'kJ/mol'), E0=(38.8792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4960252686922199, var=4.971814363053439, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R + Total Standard Deviation in ln(k): 5.716365855601496"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 5.716365855601496""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 5.716365855601496 +""", +) + +entry( + index = 1194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.74001e-07,'m^3/(mol*s)'), n=3.76686, w0=(411,'kJ/mol'), E0=(32.6165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09780671759657666, var=1.119966015491302, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.367325516726827"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.367325516726827""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.367325516726827 +""", +) + +entry( + index = 1195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(5.98277e-10,'m^3/(mol*s)'), n=4.53779, w0=(411,'kJ/mol'), E0=(33.0489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(5.574e-08,'m^3/(mol*s)'), n=3.84346, w0=(411,'kJ/mol'), E0=(16.0567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.97649e-10,'m^3/(mol*s)'), n=4.6473, w0=(411,'kJ/mol'), E0=(42.1672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.19227e-08,'m^3/(mol*s)'), n=4.28103, w0=(411,'kJ/mol'), E0=(27.2146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_Ext-6R!H-R_Ext-4C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.292117,'m^3/(mol*s)'), n=2.1041, w0=(411,'kJ/mol'), E0=(51.4877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31543624056342257, var=4.001769811028799, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C + Total Standard Deviation in ln(k): 4.80291042550826"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C +Total Standard Deviation in ln(k): 4.80291042550826""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C +Total Standard Deviation in ln(k): 4.80291042550826 +""", +) + +entry( + index = 1200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.18035,'m^3/(mol*s)'), n=1.82816, w0=(411,'kJ/mol'), E0=(54.3526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40782471570184564, var=6.542518774136369, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 6.152466325819129"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.152466325819129""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.152466325819129 +""", +) + +entry( + index = 1201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.51943e-09,'m^3/(mol*s)'), n=4.24961, w0=(411,'kJ/mol'), E0=(13.4819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040542496398895254, var=1.3650305315893108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.444088195429082"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.444088195429082""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.444088195429082 +""", +) + +entry( + index = 1202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.33909e-08,'m^3/(mol*s)'), n=4.21726, w0=(411,'kJ/mol'), E0=(24.1955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(6.08284e-08,'m^3/(mol*s)'), n=3.91169, w0=(411,'kJ/mol'), E0=(16.4746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.86732e-11,'m^3/(mol*s)'), n=5.00017, w0=(411,'kJ/mol'), E0=(40.6347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.042795,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(29.218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_6R!H->C_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.25177e-06,'m^3/(mol*s)'), n=3.55106, w0=(411,'kJ/mol'), E0=(30.1774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08513986504630865, var=2.3622009890569697, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C + Total Standard Deviation in ln(k): 3.2950875011605922"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.2950875011605922""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.2950875011605922 +""", +) + +entry( + index = 1207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.000166102,'m^3/(mol*s)'), n=3.06688, w0=(411,'kJ/mol'), E0=(36.5875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11585908137725198, var=4.739008325112812, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 4.655263830508417"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.655263830508417""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.655263830508417 +""", +) + +entry( + index = 1208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.02335e-08,'m^3/(mol*s)'), n=4.30056, w0=(411,'kJ/mol'), E0=(14.1006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.052761824298599026, var=4.541079207262922, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.404619374291015"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.404619374291015""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.404619374291015 +""", +) + +entry( + index = 1209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.05512e-07,'m^3/(mol*s)'), n=3.97389, w0=(411,'kJ/mol'), E0=(17.3703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(8.06105e-09,'m^3/(mol*s)'), n=4.28364, w0=(411,'kJ/mol'), E0=(27.0456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.047255,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(41.6521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.0749,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(32.0567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-1BrCHN-R_N-6R!H->C_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.13164e-23,'m^3/(mol*s)'), n=8.63132, w0=(411,'kJ/mol'), E0=(-16.1639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32515858303197126, var=9.290705984704475, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R + Total Standard Deviation in ln(k): 6.927546075857073"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 6.927546075857073""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 6.927546075857073 +""", +) + +entry( + index = 1214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C", + kinetics = ArrheniusBM(A=(2.62826e-11,'m^3/(mol*s)'), n=5.02648, w0=(411,'kJ/mol'), E0=(42.9673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5065516199829768, var=0.5433081699844864, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C + Total Standard Deviation in ln(k): 2.750421783848861"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 2.750421783848861""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 2.750421783848861 +""", +) + +entry( + index = 1215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(0.0395014,'m^3/(mol*s)'), n=2.04811, w0=(411,'kJ/mol'), E0=(51.8584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0801529744296564, var=0.08573895127775585, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 0.7884001577968501"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 0.7884001577968501""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 0.7884001577968501 +""", +) + +entry( + index = 1216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_Sp-7R!H=6C", + kinetics = ArrheniusBM(A=(0.0472667,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(49.5383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_Sp-7R!H=6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_Sp-7R!H=6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_Sp-7R!H=6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_Sp-7R!H=6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_N-Sp-7R!H=6C", + kinetics = ArrheniusBM(A=(0.0715333,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(55.0925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_N-Sp-7R!H=6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_N-Sp-7R!H=6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_N-Sp-7R!H=6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_6R!H->C_Ext-6C-R_N-Sp-7R!H=6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(9.37027e-09,'m^3/(mol*s)'), n=4.42902, w0=(411,'kJ/mol'), E0=(35.1164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_5BrCClO->Cl_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl", + kinetics = ArrheniusBM(A=(1.14142e-17,'m^3/(mol*s)'), n=6.93729, w0=(411,'kJ/mol'), E0=(1.23121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37030564219385204, var=6.357693248779873, Tref=1000.0, N=141, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl',), comment="""BM rule fitted to 141 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl + Total Standard Deviation in ln(k): 5.985248747344611"""), + rank = 11, + shortDesc = """BM rule fitted to 141 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl +Total Standard Deviation in ln(k): 5.985248747344611""", + longDesc = +""" +BM rule fitted to 141 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl +Total Standard Deviation in ln(k): 5.985248747344611 +""", +) + +entry( + index = 1220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(2.8809e-18,'m^3/(mol*s)'), n=7.14338, w0=(411,'kJ/mol'), E0=(1.26447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48780924480181054, var=8.454294999009383, Tref=1000.0, N=114, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R',), comment="""BM rule fitted to 114 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R + Total Standard Deviation in ln(k): 7.054673286285917"""), + rank = 11, + shortDesc = """BM rule fitted to 114 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R +Total Standard Deviation in ln(k): 7.054673286285917""", + longDesc = +""" +BM rule fitted to 114 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R +Total Standard Deviation in ln(k): 7.054673286285917 +""", +) + +entry( + index = 1221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO", + kinetics = ArrheniusBM(A=(2.48495e-10,'m^3/(mol*s)'), n=4.67869, w0=(411,'kJ/mol'), E0=(25.3402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06654777603140606, var=1.8431377689736568, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO + Total Standard Deviation in ln(k): 2.888878115025068"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO +Total Standard Deviation in ln(k): 2.888878115025068""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO +Total Standard Deviation in ln(k): 2.888878115025068 +""", +) + +entry( + index = 1222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl", + kinetics = ArrheniusBM(A=(1.64252e-15,'m^3/(mol*s)'), n=6.17048, w0=(411,'kJ/mol'), E0=(3.68885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04611152125324794, var=1.988791211243956, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl + Total Standard Deviation in ln(k): 2.943025891381079"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl +Total Standard Deviation in ln(k): 2.943025891381079""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl +Total Standard Deviation in ln(k): 2.943025891381079 +""", +) + +entry( + index = 1223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(2.63459e-15,'m^3/(mol*s)'), n=6.11368, w0=(411,'kJ/mol'), E0=(3.30372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.195974044618729, var=3.026555506277507, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R + Total Standard Deviation in ln(k): 3.980034374849612"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R +Total Standard Deviation in ln(k): 3.980034374849612""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R +Total Standard Deviation in ln(k): 3.980034374849612 +""", +) + +entry( + index = 1224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(6.98539e-15,'m^3/(mol*s)'), n=5.95883, w0=(411,'kJ/mol'), E0=(1.13257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13806471782604987, var=4.906355677829197, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R + Total Standard Deviation in ln(k): 4.787443608418821"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R +Total Standard Deviation in ln(k): 4.787443608418821""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R +Total Standard Deviation in ln(k): 4.787443608418821 +""", +) + +entry( + index = 1225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.96346e-11,'m^3/(mol*s)'), n=4.96007, w0=(411,'kJ/mol'), E0=(9.9192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0521449452701787, var=1.9954123210286137, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.9628874598494988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.9628874598494988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.9628874598494988 +""", +) + +entry( + index = 1226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.92503e-09,'m^3/(mol*s)'), n=4.39607, w0=(411,'kJ/mol'), E0=(25.7681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.63133e-09,'m^3/(mol*s)'), n=4.18708, w0=(411,'kJ/mol'), E0=(17.2489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.53595e-10,'m^3/(mol*s)'), n=4.44138, w0=(411,'kJ/mol'), E0=(41.5153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.70583e-09,'m^3/(mol*s)'), n=4.35866, w0=(411,'kJ/mol'), E0=(29.7115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-5BrCO-R_Ext-4C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.65815e-08,'m^3/(mol*s)'), n=4.13299, w0=(411,'kJ/mol'), E0=(36.8092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.048874188469334244, var=3.9553232998829193, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R + Total Standard Deviation in ln(k): 4.109815511804936"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 4.109815511804936""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 4.109815511804936 +""", +) + +entry( + index = 1231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.03128e-13,'m^3/(mol*s)'), n=5.42025, w0=(411,'kJ/mol'), E0=(8.23251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008552992619043546, var=1.9771436810705039, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.840366793915809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.840366793915809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.840366793915809 +""", +) + +entry( + index = 1232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.02111e-09,'m^3/(mol*s)'), n=4.50189, w0=(411,'kJ/mol'), E0=(30.0595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.30773e-09,'m^3/(mol*s)'), n=4.32764, w0=(411,'kJ/mol'), E0=(23.3796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.94863e-10,'m^3/(mol*s)'), n=4.72447, w0=(411,'kJ/mol'), E0=(46.7707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.0428,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(27.2163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->Cl_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(0.000145369,'m^3/(mol*s)'), n=2.93214, w0=(411,'kJ/mol'), E0=(32.9814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12709715456987797, var=2.2245184549376154, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 3.3093657989105045"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 3.3093657989105045""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 3.3093657989105045 +""", +) + +entry( + index = 1237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F", + kinetics = ArrheniusBM(A=(1.37139e-06,'m^3/(mol*s)'), n=3.50217, w0=(411,'kJ/mol'), E0=(38.1534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21686233891954823, var=4.253600895531094, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F + Total Standard Deviation in ln(k): 4.679497941836509"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F +Total Standard Deviation in ln(k): 4.679497941836509""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F +Total Standard Deviation in ln(k): 4.679497941836509 +""", +) + +entry( + index = 1238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_5BrCO->C", + kinetics = ArrheniusBM(A=(2.32378e-10,'m^3/(mol*s)'), n=4.56467, w0=(411,'kJ/mol'), E0=(33.1308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_5BrCO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_5BrCO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_5BrCO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_5BrCO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_N-5BrCO->C", + kinetics = ArrheniusBM(A=(1.57175e-09,'m^3/(mol*s)'), n=4.36268, w0=(411,'kJ/mol'), E0=(22.926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_N-5BrCO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_N-5BrCO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_N-5BrCO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_6R!H->F_N-5BrCO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F", + kinetics = ArrheniusBM(A=(1.46478e-07,'m^3/(mol*s)'), n=3.79545, w0=(411,'kJ/mol'), E0=(10.5893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09293310919507107, var=0.15490407674120446, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F + Total Standard Deviation in ln(k): 1.022521003637706"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F +Total Standard Deviation in ln(k): 1.022521003637706""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F +Total Standard Deviation in ln(k): 1.022521003637706 +""", +) + +entry( + index = 1241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_N-1BrCHN-inRing", + kinetics = ArrheniusBM(A=(5.49e-06,'m^3/(mol*s)'), n=3.33, w0=(411,'kJ/mol'), E0=(20.9509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07746717748570146, var=8.437113900371601e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_N-1BrCHN-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_N-1BrCHN-inRing + Total Standard Deviation in ln(k): 0.19464114946156727"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_N-1BrCHN-inRing +Total Standard Deviation in ln(k): 0.19464114946156727""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_N-1BrCHN-inRing +Total Standard Deviation in ln(k): 0.19464114946156727 +""", +) + +entry( + index = 1242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.99746e-11,'m^3/(mol*s)'), n=4.9774, w0=(411,'kJ/mol'), E0=(8.29585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010094522984562723, var=0.17241014629430504, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8577752519665652"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8577752519665652""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8577752519665652 +""", +) + +entry( + index = 1243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN", + kinetics = ArrheniusBM(A=(1.16341e-11,'m^3/(mol*s)'), n=5.08541, w0=(411,'kJ/mol'), E0=(8.09444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08874436150157254, var=3.1485865311688777, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN + Total Standard Deviation in ln(k): 3.7802292066772174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN +Total Standard Deviation in ln(k): 3.7802292066772174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN +Total Standard Deviation in ln(k): 3.7802292066772174 +""", +) + +entry( + index = 1244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(6.27e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(24.3331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN_Ext-5BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN_Ext-5BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Int-9R!H-1BrCHN_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-9R!H-R_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(9.81e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(26.2902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-9R!H-R_Ext-5BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-9R!H-R_Ext-5BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-9R!H-R_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-9R!H-R_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(1.19e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(14.4932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-5BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-5BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_Ext-1BrCHN-R_N-6R!H->F_Ext-7R!H-R_Int-8R!H-6CO_Ext-8R!H-R_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->O", + kinetics = ArrheniusBM(A=(1.08374e-10,'m^3/(mol*s)'), n=4.66352, w0=(411,'kJ/mol'), E0=(35.3249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O", + kinetics = ArrheniusBM(A=(2.24888e-16,'m^3/(mol*s)'), n=6.50882, w0=(411,'kJ/mol'), E0=(10.629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24672550558332848, var=1.0532584337145912, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O + Total Standard Deviation in ln(k): 2.6773404595080605"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O +Total Standard Deviation in ln(k): 2.6773404595080605""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O +Total Standard Deviation in ln(k): 2.6773404595080605 +""", +) + +entry( + index = 1249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO", + kinetics = ArrheniusBM(A=(1.62545e-09,'m^3/(mol*s)'), n=4.53279, w0=(411,'kJ/mol'), E0=(33.2381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.048555676274156176, var=1.7432899742178443, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO + Total Standard Deviation in ln(k): 2.768925221644"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 2.768925221644""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 2.768925221644 +""", +) + +entry( + index = 1250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(4.49047e-11,'m^3/(mol*s)'), n=4.93947, w0=(411,'kJ/mol'), E0=(28.6499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06184258804434029, var=5.042222971044813, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R + Total Standard Deviation in ln(k): 4.656994898457729"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R +Total Standard Deviation in ln(k): 4.656994898457729""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R +Total Standard Deviation in ln(k): 4.656994898457729 +""", +) + +entry( + index = 1251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(1.35737e-09,'m^3/(mol*s)'), n=4.61293, w0=(411,'kJ/mol'), E0=(31.5093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R_Ext-5BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R_Ext-5BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO", + kinetics = ArrheniusBM(A=(4.37675e-09,'m^3/(mol*s)'), n=4.4295, w0=(411,'kJ/mol'), E0=(27.6375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21917946857631396, var=0.3016162239042228, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO + Total Standard Deviation in ln(k): 1.6516946268296246"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 1.6516946268296246""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 1.6516946268296246 +""", +) + +entry( + index = 1253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R", + kinetics = ArrheniusBM(A=(9.71525e-09,'m^3/(mol*s)'), n=4.36635, w0=(411,'kJ/mol'), E0=(28.427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_Sp-6R!H-5BrCO_N-6R!H->O_N-Sp-5BrCO-1BrBrCCHNO_Ext-5BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO", + kinetics = ArrheniusBM(A=(5.92645e-19,'m^3/(mol*s)'), n=7.46889, w0=(411,'kJ/mol'), E0=(1.2064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5660254139693095, var=17.50944611967497, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO + Total Standard Deviation in ln(k): 9.810846017366652"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO +Total Standard Deviation in ln(k): 9.810846017366652""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO +Total Standard Deviation in ln(k): 9.810846017366652 +""", +) + +entry( + index = 1255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C", + kinetics = ArrheniusBM(A=(1.39303e-17,'m^3/(mol*s)'), n=7.06053, w0=(411,'kJ/mol'), E0=(1.24453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49995271680440223, var=17.645010403116807, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C',), comment="""BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C + Total Standard Deviation in ln(k): 9.677245622678237"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C +Total Standard Deviation in ln(k): 9.677245622678237""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C +Total Standard Deviation in ln(k): 9.677245622678237 +""", +) + +entry( + index = 1256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.82249e-14,'m^3/(mol*s)'), n=6.12995, w0=(411,'kJ/mol'), E0=(0.186342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3143448837055005, var=20.253446005046793, Tref=1000.0, N=55, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R',), comment="""BM rule fitted to 55 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 9.811886673122684"""), + rank = 11, + shortDesc = """BM rule fitted to 55 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 9.811886673122684""", + longDesc = +""" +BM rule fitted to 55 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 9.811886673122684 +""", +) + +entry( + index = 1257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN", + kinetics = ArrheniusBM(A=(0.60864,'m^3/(mol*s)'), n=1.8809, w0=(411,'kJ/mol'), E0=(63.5851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30932046220837567, var=5.230445965154583, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN + Total Standard Deviation in ln(k): 5.3620499458527915"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 5.3620499458527915""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 5.3620499458527915 +""", +) + +entry( + index = 1258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(124039,'m^3/(mol*s)'), n=0.332588, w0=(411,'kJ/mol'), E0=(83.309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4846368091221343, var=7.8122846716241945, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.8210080911996736"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.8210080911996736""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.8210080911996736 +""", +) + +entry( + index = 1259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(105521,'m^3/(mol*s)'), n=0.298064, w0=(411,'kJ/mol'), E0=(84.4715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5489844876850816, var=9.324477354079384, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO + Total Standard Deviation in ln(k): 7.501018483979699"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 7.501018483979699""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 7.501018483979699 +""", +) + +entry( + index = 1260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.27693e-05,'m^3/(mol*s)'), n=3.07615, w0=(411,'kJ/mol'), E0=(61.7936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3181514814821835, var=5.819038043397354, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 5.63533433081478"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 5.63533433081478""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 5.63533433081478 +""", +) + +entry( + index = 1261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.24027e-09,'m^3/(mol*s)'), n=4.14819, w0=(411,'kJ/mol'), E0=(59.0989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21639913330022487, var=1.1636678168926924, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 2.7062930236382505"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.7062930236382505""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.7062930236382505 +""", +) + +entry( + index = 1262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.31501e-07,'m^3/(mol*s)'), n=3.70692, w0=(411,'kJ/mol'), E0=(29.3507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1359840061436779, var=84.63729413331305, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 18.78493625453958"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 18.78493625453958""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 18.78493625453958 +""", +) + +entry( + index = 1263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(6.81422e+06,'m^3/(mol*s)'), n=-0.111262, w0=(411,'kJ/mol'), E0=(86.5979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4493425249702001, var=9.247674788405263, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO + Total Standard Deviation in ln(k): 7.225398641924019"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 7.225398641924019""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 7.225398641924019 +""", +) + +entry( + index = 1264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.89344e-10,'m^3/(mol*s)'), n=4.51606, w0=(411,'kJ/mol'), E0=(53.6553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023792472054189898, var=5.825157290958903, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 4.898280886765745"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 4.898280886765745""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 4.898280886765745 +""", +) + +entry( + index = 1265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(2.62584e-09,'m^3/(mol*s)'), n=4.12365, w0=(411,'kJ/mol'), E0=(56.2687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15312977719377516, var=3.5390168947379865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 4.156110935308783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.156110935308783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 4.156110935308783 +""", +) + +entry( + index = 1266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(6.21349e-06,'m^3/(mol*s)'), n=3.29641, w0=(411,'kJ/mol'), E0=(22.9215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10256192341795582, var=68.52344274224697, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 16.85266728963258"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 16.85266728963258""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-7R!H-R_N-Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 16.85266728963258 +""", +) + +entry( + index = 1267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(0.475341,'m^3/(mol*s)'), n=1.85212, w0=(411,'kJ/mol'), E0=(61.0187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3454759962374988, var=8.260627840128477, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO + Total Standard Deviation in ln(k): 6.629900967715203"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 6.629900967715203""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 6.629900967715203 +""", +) + +entry( + index = 1268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.08139e-09,'m^3/(mol*s)'), n=4.33689, w0=(411,'kJ/mol'), E0=(43.3287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16222490302065326, var=7.516703444962317, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 5.903903653108553"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 5.903903653108553""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 5.903903653108553 +""", +) + +entry( + index = 1269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.00229e-08,'m^3/(mol*s)'), n=3.89405, w0=(411,'kJ/mol'), E0=(42.6365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.288813168236644, var=37.41914366637628, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 12.988864063002595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 12.988864063002595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 12.988864063002595 +""", +) + +entry( + index = 1270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(7.33706e-06,'m^3/(mol*s)'), n=3.06892, w0=(411,'kJ/mol'), E0=(21.2285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0787056117163168, var=73.31680256845098, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 17.363343288330586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 17.363343288330586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 17.363343288330586 +""", +) + +entry( + index = 1271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(0.000916192,'m^3/(mol*s)'), n=2.77965, w0=(411,'kJ/mol'), E0=(49.0779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19871520860976316, var=2.7577487877168663, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO + Total Standard Deviation in ln(k): 3.8284419344621625"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 3.8284419344621625""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 3.8284419344621625 +""", +) + +entry( + index = 1272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.84563e-08,'m^3/(mol*s)'), n=4.1333, w0=(411,'kJ/mol'), E0=(38.8536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14197092235670333, var=0.03260841272818317, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 0.7187219034724178"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 0.7187219034724178""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 0.7187219034724178 +""", +) + +entry( + index = 1273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(8.46171e-09,'m^3/(mol*s)'), n=4.18273, w0=(411,'kJ/mol'), E0=(34.8654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11887099097319943, var=0.041908753310058014, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 0.7090727292915926"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 0.7090727292915926""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 0.7090727292915926 +""", +) + +entry( + index = 1274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(8.6053e-06,'m^3/(mol*s)'), n=3.31697, w0=(411,'kJ/mol'), E0=(19.9962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0825556203994705, var=20.97704304943361, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 9.38925357151268"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 9.38925357151268""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 9.38925357151268 +""", +) + +entry( + index = 1275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(7.33182e-10,'m^3/(mol*s)'), n=4.46828, w0=(411,'kJ/mol'), E0=(41.0355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025310686796201447, var=1.2130659540868438, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 2.2715953378962586"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 2.2715953378962586""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 2.2715953378962586 +""", +) + +entry( + index = 1276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(2.17296e-10,'m^3/(mol*s)'), n=4.53802, w0=(411,'kJ/mol'), E0=(36.8875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06394448416245752, var=0.003946263843999923, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 0.2866005776095578"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 0.2866005776095578""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 0.2866005776095578 +""", +) + +entry( + index = 1277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(2.0105e-10,'m^3/(mol*s)'), n=4.5435, w0=(411,'kJ/mol'), E0=(25.1523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006496784148216138, var=19.73461333111008, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 8.922089995546777"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 8.922089995546777""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 8.922089995546777 +""", +) + +entry( + index = 1278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN", + kinetics = ArrheniusBM(A=(3.74443e-14,'m^3/(mol*s)'), n=6.1815, w0=(411,'kJ/mol'), E0=(0.569701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16270371723432195, var=26.310719147083564, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN + Total Standard Deviation in ln(k): 10.691886488607505"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 10.691886488607505""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 10.691886488607505 +""", +) + +entry( + index = 1279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(4.80916e-10,'m^3/(mol*s)'), n=4.83405, w0=(411,'kJ/mol'), E0=(36.6541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5995860280454346, var=1.8277919683404633, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO + Total Standard Deviation in ln(k): 4.216816321430844"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 4.216816321430844""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 4.216816321430844 +""", +) + +entry( + index = 1280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.25858e-07,'m^3/(mol*s)'), n=4.08716, w0=(411,'kJ/mol'), E0=(54.7891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.249067468333745, var=0.08437103077162772, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 1.2081068795687313"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 1.2081068795687313""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 1.2081068795687313 +""", +) + +entry( + index = 1281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(3.49301e-17,'m^3/(mol*s)'), n=6.74247, w0=(411,'kJ/mol'), E0=(8.35697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18015765608298004, var=4.567171040902315, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO + Total Standard Deviation in ln(k): 4.736964862316912"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 4.736964862316912""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 4.736964862316912 +""", +) + +entry( + index = 1282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.68856e-08,'m^3/(mol*s)'), n=4.36506, w0=(411,'kJ/mol'), E0=(52.8957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025479101427343467, var=6.834570763617055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 5.3049991610257745"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 5.3049991610257745""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 5.3049991610257745 +""", +) + +entry( + index = 1283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.20181e-11,'m^3/(mol*s)'), n=5.58399, w0=(411,'kJ/mol'), E0=(-1.43114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009416066617913563, var=71.92851156803862, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 17.025952635060147"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 17.025952635060147""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 17.025952635060147 +""", +) + +entry( + index = 1284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C", + kinetics = ArrheniusBM(A=(3.88735e-05,'m^3/(mol*s)'), n=3.72451, w0=(411,'kJ/mol'), E0=(18.9252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1436488308672523, var=82.7408442118484, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C + Total Standard Deviation in ln(k): 18.596396794609817"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C +Total Standard Deviation in ln(k): 18.596396794609817""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C +Total Standard Deviation in ln(k): 18.596396794609817 +""", +) + +entry( + index = 1285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.881099,'m^3/(mol*s)'), n=2.75425, w0=(411,'kJ/mol'), E0=(19.5774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_Sp-8R!H-4C_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_N-Sp-8R!H-4C", + kinetics = ArrheniusBM(A=(4.33232e-07,'m^3/(mol*s)'), n=4.10045, w0=(411,'kJ/mol'), E0=(35.4686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.385629325609424, var=45.39977028827055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_N-Sp-8R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_N-Sp-8R!H-4C + Total Standard Deviation in ln(k): 14.476692878102591"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_N-Sp-8R!H-4C +Total Standard Deviation in ln(k): 14.476692878102591""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R_N-Sp-8R!H-4C +Total Standard Deviation in ln(k): 14.476692878102591 +""", +) + +entry( + index = 1287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO", + kinetics = ArrheniusBM(A=(3.92445e-14,'m^3/(mol*s)'), n=5.68301, w0=(411,'kJ/mol'), E0=(31.4395,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006426485909734924, var=2.226236864846151, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO + Total Standard Deviation in ln(k): 3.0073278182021697"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 3.0073278182021697""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 3.0073278182021697 +""", +) + +entry( + index = 1288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(2.06503e-09,'m^3/(mol*s)'), n=4.25954, w0=(411,'kJ/mol'), E0=(45.587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022996238496468927, var=1.3790893187381776, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO + Total Standard Deviation in ln(k): 2.4120327880871337"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 2.4120327880871337""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO +Total Standard Deviation in ln(k): 2.4120327880871337 +""", +) + +entry( + index = 1289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.14727e-09,'m^3/(mol*s)'), n=4.45601, w0=(411,'kJ/mol'), E0=(52.2464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03663997961557765, var=1.3445695579686028, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 2.4166623543260553"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 2.4166623543260553""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 2.4166623543260553 +""", +) + +entry( + index = 1290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-6C-R", + kinetics = ArrheniusBM(A=(7.98513e-10,'m^3/(mol*s)'), n=4.34627, w0=(411,'kJ/mol'), E0=(41.4867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Sp-6C=5BrCO_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO", + kinetics = ArrheniusBM(A=(1.23694e-17,'m^3/(mol*s)'), n=6.85697, w0=(411,'kJ/mol'), E0=(23.969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40081910229494144, var=15.836137701373401, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO + Total Standard Deviation in ln(k): 8.984855242633172"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 8.984855242633172""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO +Total Standard Deviation in ln(k): 8.984855242633172 +""", +) + +entry( + index = 1292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO_Ext-4C-R", + kinetics = ArrheniusBM(A=(6.75631e-09,'m^3/(mol*s)'), n=4.38055, w0=(411,'kJ/mol'), E0=(46.2255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019782800471069523, var=2.770468502456734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO_Ext-4C-R + Total Standard Deviation in ln(k): 3.386531814005542"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 3.386531814005542""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_N-Sp-6C=5BrCO_Ext-4C-R +Total Standard Deviation in ln(k): 3.386531814005542 +""", +) + +entry( + index = 1293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Ext-4C-R", + kinetics = ArrheniusBM(A=(8.65181e-10,'m^3/(mol*s)'), n=4.58236, w0=(411,'kJ/mol'), E0=(52.0137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15798730132409058, var=19.89062443177315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Ext-4C-R + Total Standard Deviation in ln(k): 9.337852205752162"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Ext-4C-R +Total Standard Deviation in ln(k): 9.337852205752162""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_Sp-5BrCO-1BrBrCCHNO_Ext-4C-R +Total Standard Deviation in ln(k): 9.337852205752162 +""", +) + +entry( + index = 1294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO", + kinetics = ArrheniusBM(A=(0.00138921,'m^3/(mol*s)'), n=2.97966, w0=(411,'kJ/mol'), E0=(56.8967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07944612242642099, var=2.577358143931082, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO + Total Standard Deviation in ln(k): 3.418045650251218"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 3.418045650251218""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO +Total Standard Deviation in ln(k): 3.418045650251218 +""", +) + +entry( + index = 1295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.08e-08,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(49.7896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.110223024628636e-16, var=1.3846727557924695e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO_Ext-4C-R + Total Standard Deviation in ln(k): 7.487753092090679e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO_Ext-4C-R +Total Standard Deviation in ln(k): 7.487753092090679e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_6R!H->C_N-Sp-5BrCO-1BrBrCCHNO_Ext-4C-R +Total Standard Deviation in ln(k): 7.487753092090679e-14 +""", +) + +entry( + index = 1296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.136261,'m^3/(mol*s)'), n=2.22668, w0=(411,'kJ/mol'), E0=(72.2002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3380085686522256, var=8.152745037984669, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C + Total Standard Deviation in ln(k): 6.573390266040916"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C +Total Standard Deviation in ln(k): 6.573390266040916""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C +Total Standard Deviation in ln(k): 6.573390266040916 +""", +) + +entry( + index = 1297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(0.0826338,'m^3/(mol*s)'), n=2.31703, w0=(411,'kJ/mol'), E0=(71.5526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3623973932055904, var=9.664922668981069, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 7.142958588128064"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 7.142958588128064""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 7.142958588128064 +""", +) + +entry( + index = 1298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN", + kinetics = ArrheniusBM(A=(108.481,'m^3/(mol*s)'), n=1.34505, w0=(411,'kJ/mol'), E0=(75.2612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4551876795166892, var=9.293500249768439, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN + Total Standard Deviation in ln(k): 7.255171183549574"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 7.255171183549574""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 7.255171183549574 +""", +) + +entry( + index = 1299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(0.000152448,'m^3/(mol*s)'), n=3.07473, w0=(411,'kJ/mol'), E0=(64.9695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060501962907862444, var=37.16181187512244, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 12.372977993549595"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 12.372977993549595""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 12.372977993549595 +""", +) + +entry( + index = 1300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.1276e-07,'m^3/(mol*s)'), n=3.78012, w0=(411,'kJ/mol'), E0=(61.1823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4715626000671093, var=15.895121666010862, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R_Ext-4C-R + Total Standard Deviation in ln(k): 9.177446093515156"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 9.177446093515156""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 9.177446093515156 +""", +) + +entry( + index = 1301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.11362e-09,'m^3/(mol*s)'), n=4.26004, w0=(411,'kJ/mol'), E0=(49.335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07467316907854701, var=9.465669112517205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 6.355454633144453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 6.355454633144453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 6.355454633144453 +""", +) + +entry( + index = 1302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN", + kinetics = ArrheniusBM(A=(1.67521e-11,'m^3/(mol*s)'), n=5.2514, w0=(411,'kJ/mol'), E0=(55.432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27759447150720246, var=37.61901236831945, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN + Total Standard Deviation in ln(k): 12.993383788031672"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 12.993383788031672""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN +Total Standard Deviation in ln(k): 12.993383788031672 +""", +) + +entry( + index = 1303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.93326e-07,'m^3/(mol*s)'), n=4.1098, w0=(411,'kJ/mol'), E0=(76.9176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24247560064402973, var=37.84176792727605, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R + Total Standard Deviation in ln(k): 12.941495917412887"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 12.941495917412887""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-1BrCHN-R_N-Sp-7R!H-1BrCHN_Ext-4C-R +Total Standard Deviation in ln(k): 12.941495917412887 +""", +) + +entry( + index = 1304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.52184e-09,'m^3/(mol*s)'), n=4.35225, w0=(411,'kJ/mol'), E0=(59.5837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04178518052056182, var=0.4390509883313485, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 1.4333438516737933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.4333438516737933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_Ext-5BrCO-R_N-Sp-6R!H-5BrCO_N-6R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.4333438516737933 +""", +) + +entry( + index = 1305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O", + kinetics = ArrheniusBM(A=(1.59515e-06,'m^3/(mol*s)'), n=3.3893, w0=(411,'kJ/mol'), E0=(31.4167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09036043437909472, var=0.5077768045784101, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O + Total Standard Deviation in ln(k): 1.6555795998542662"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O +Total Standard Deviation in ln(k): 1.6555795998542662""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O +Total Standard Deviation in ln(k): 1.6555795998542662 +""", +) + +entry( + index = 1306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(8.83761e-09,'m^3/(mol*s)'), n=4.01545, w0=(411,'kJ/mol'), E0=(20.9222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43007060092345994, var=0.09174232592716251, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 1.687793520282127"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 1.687793520282127""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 1.687793520282127 +""", +) + +entry( + index = 1307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_Sp-5O-1BrCHN", + kinetics = ArrheniusBM(A=(2.6e-08,'m^3/(mol*s)'), n=3.9, w0=(411,'kJ/mol'), E0=(25.0192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_Sp-5O-1BrCHN',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_Sp-5O-1BrCHN + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_Sp-5O-1BrCHN +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_Sp-5O-1BrCHN +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_N-Sp-5O-1BrCHN", + kinetics = ArrheniusBM(A=(81300,'m^3/(mol*s)'), n=-5.40154e-08, w0=(411,'kJ/mol'), E0=(49.0639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_N-Sp-5O-1BrCHN',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_N-Sp-5O-1BrCHN + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_N-Sp-5O-1BrCHN +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_5BrCO->O_Ext-1BrCHN-R_N-Sp-5O-1BrCHN +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O", + kinetics = ArrheniusBM(A=(6.77087e-17,'m^3/(mol*s)'), n=6.63908, w0=(411,'kJ/mol'), E0=(3.61179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5233268992144519, var=2.882009099085485, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O + Total Standard Deviation in ln(k): 4.718226418037385"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O +Total Standard Deviation in ln(k): 4.718226418037385""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O +Total Standard Deviation in ln(k): 4.718226418037385 +""", +) + +entry( + index = 1310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN", + kinetics = ArrheniusBM(A=(2.23601e-08,'m^3/(mol*s)'), n=4.29449, w0=(411,'kJ/mol'), E0=(29.9437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05786571871498729, var=0.9984623480137812, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN + Total Standard Deviation in ln(k): 2.1485844450612603"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN +Total Standard Deviation in ln(k): 2.1485844450612603""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN +Total Standard Deviation in ln(k): 2.1485844450612603 +""", +) + +entry( + index = 1311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(0.490731,'m^3/(mol*s)'), n=2.05762, w0=(411,'kJ/mol'), E0=(55.4399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27884873775587765, var=5.418275053450574, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 5.3670846019341445"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 5.3670846019341445""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 5.3670846019341445 +""", +) + +entry( + index = 1312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.56977e-08,'m^3/(mol*s)'), n=4.21756, w0=(411,'kJ/mol'), E0=(40.3179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17095887012635042, var=12.182868776516326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R_Ext-4C-R + Total Standard Deviation in ln(k): 7.426865498716442"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 7.426865498716442""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 7.426865498716442 +""", +) + +entry( + index = 1313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R", + kinetics = ArrheniusBM(A=(9.17123e-08,'m^3/(mol*s)'), n=4.1334, w0=(411,'kJ/mol'), E0=(31.2027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12863485937232505, var=0.37081319256508194, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R + Total Standard Deviation in ln(k): 1.5439752154186959"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R +Total Standard Deviation in ln(k): 1.5439752154186959""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R +Total Standard Deviation in ln(k): 1.5439752154186959 +""", +) + +entry( + index = 1314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(1.83882e-09,'m^3/(mol*s)'), n=4.61333, w0=(411,'kJ/mol'), E0=(26.7844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07488809735352338, var=0.17036730412818069, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C + Total Standard Deviation in ln(k): 1.0156269668331184"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 1.0156269668331184""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 1.0156269668331184 +""", +) + +entry( + index = 1315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.47486e-09,'m^3/(mol*s)'), n=4.53379, w0=(411,'kJ/mol'), E0=(28.1046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_N-Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(5.72837e-08,'m^3/(mol*s)'), n=4.33452, w0=(411,'kJ/mol'), E0=(36.2303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.032723179000487435, var=10.998390935048636, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_N-Sp-6R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_N-Sp-6R!H-4C + Total Standard Deviation in ln(k): 6.730686780758543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 6.730686780758543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 6.730686780758543 +""", +) + +entry( + index = 1317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN", + kinetics = ArrheniusBM(A=(7.33367e-10,'m^3/(mol*s)'), n=4.50022, w0=(411,'kJ/mol'), E0=(32.5704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19320235856109136, var=1.6618854236633933, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN + Total Standard Deviation in ln(k): 3.0698199484063977"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN +Total Standard Deviation in ln(k): 3.0698199484063977""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN +Total Standard Deviation in ln(k): 3.0698199484063977 +""", +) + +entry( + index = 1318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_5BrC->Br", + kinetics = ArrheniusBM(A=(4.52937e-10,'m^3/(mol*s)'), n=4.62338, w0=(411,'kJ/mol'), E0=(33.3315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_5BrC->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_5BrC->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_5BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_5BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br", + kinetics = ArrheniusBM(A=(2.79343e-10,'m^3/(mol*s)'), n=4.59267, w0=(411,'kJ/mol'), E0=(30.8334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5234210956063029, var=3.322447063268664, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br + Total Standard Deviation in ln(k): 4.969275466281107"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br +Total Standard Deviation in ln(k): 4.969275466281107""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br +Total Standard Deviation in ln(k): 4.969275466281107 +""", +) + +entry( + index = 1320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(2.54374e-14,'m^3/(mol*s)'), n=5.83486, w0=(411,'kJ/mol'), E0=(2.02868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1417405975410491, var=1.0496854502836916, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 2.410066599410795"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.410066599410795""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.410066599410795 +""", +) + +entry( + index = 1321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.29226e-08,'m^3/(mol*s)'), n=4.30721, w0=(411,'kJ/mol'), E0=(32.4896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.407377071600745, var=0.9736731474217318, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R + Total Standard Deviation in ln(k): 3.0017303657237324"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.0017303657237324""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R +Total Standard Deviation in ln(k): 3.0017303657237324 +""", +) + +entry( + index = 1322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(1.16559e-06,'m^3/(mol*s)'), n=3.76262, w0=(411,'kJ/mol'), E0=(32.3748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5578962325228518, var=0.14679470512193582, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 2.169839458676882"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.169839458676882""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-4C-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 2.169839458676882 +""", +) + +entry( + index = 1323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-1BrCHN-R", + kinetics = ArrheniusBM(A=(2.93196e-06,'m^3/(mol*s)'), n=3.3281, w0=(411,'kJ/mol'), E0=(25.4351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12055615184524104, var=6.354020472188709, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-1BrCHN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-1BrCHN-R + Total Standard Deviation in ln(k): 5.356277190714231"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 5.356277190714231""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-1BrCHN-R_Ext-1BrCHN-R +Total Standard Deviation in ln(k): 5.356277190714231 +""", +) + +entry( + index = 1324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.20253e-08,'m^3/(mol*s)'), n=4.26366, w0=(411,'kJ/mol'), E0=(45.3343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09758797256235398, var=1.6742877849935855, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-4C-R + Total Standard Deviation in ln(k): 2.839208287199152"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-4C-R +Total Standard Deviation in ln(k): 2.839208287199152""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_Ext-1BrCHN-R_N-5R!H->S_N-5BrCClFINOPSi->F_N-5BrCClO->Cl_N-5BrCO->O_N-Sp-5BrBrBrCCCHN=1BrBrBrBrCCCCHHNN_N-5BrC->Br_Ext-4C-R +Total Standard Deviation in ln(k): 2.839208287199152 +""", +) + +entry( + index = 1325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C", + kinetics = ArrheniusBM(A=(3.99263e-17,'m^3/(mol*s)'), n=6.71579, w0=(411,'kJ/mol'), E0=(5.24307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1942881414229682, var=32.087160692023474, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C + Total Standard Deviation in ln(k): 14.356652070674578"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C +Total Standard Deviation in ln(k): 14.356652070674578""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C +Total Standard Deviation in ln(k): 14.356652070674578 +""", +) + +entry( + index = 1326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.42585e-20,'m^3/(mol*s)'), n=7.59623, w0=(411,'kJ/mol'), E0=(-32.047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46427722449786935, var=19.200102252419967, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R + Total Standard Deviation in ln(k): 9.950858070410906"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R +Total Standard Deviation in ln(k): 9.950858070410906""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R +Total Standard Deviation in ln(k): 9.950858070410906 +""", +) + +entry( + index = 1327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.88073e-08,'m^3/(mol*s)'), n=4.45282, w0=(411,'kJ/mol'), E0=(27.4024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.18418e-07,'m^3/(mol*s)'), n=3.70196, w0=(411,'kJ/mol'), E0=(52.7209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_1BrCHN->C_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C", + kinetics = ArrheniusBM(A=(2.17147e-05,'m^3/(mol*s)'), n=3.16969, w0=(416.438,'kJ/mol'), E0=(31.414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.930637260927372, var=1.530405265095425, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C + Total Standard Deviation in ln(k): 4.818333309197875"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C +Total Standard Deviation in ln(k): 4.818333309197875""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C +Total Standard Deviation in ln(k): 4.818333309197875 +""", +) + +entry( + index = 1330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H", + kinetics = ArrheniusBM(A=(2.50074e-05,'m^3/(mol*s)'), n=3.15271, w0=(421.5,'kJ/mol'), E0=(31.758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3254332974851099, var=0.7032165039243463, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H + Total Standard Deviation in ln(k): 2.498802447541745"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H +Total Standard Deviation in ln(k): 2.498802447541745""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H +Total Standard Deviation in ln(k): 2.498802447541745 +""", +) + +entry( + index = 1331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.73094e-13,'m^3/(mol*s)'), n=5.38469, w0=(421.5,'kJ/mol'), E0=(-16.4529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35199480000167216, var=0.931481127839763, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R + Total Standard Deviation in ln(k): 2.8192444224612263"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R +Total Standard Deviation in ln(k): 2.8192444224612263""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R +Total Standard Deviation in ln(k): 2.8192444224612263 +""", +) + +entry( + index = 1332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.00302446,'m^3/(mol*s)'), n=2.74303, w0=(421.5,'kJ/mol'), E0=(34.6928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03441525241211504, var=0.4542396626329157, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 1.4376078838817805"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 1.4376078838817805""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 1.4376078838817805 +""", +) + +entry( + index = 1333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_5R!H->Br", + kinetics = ArrheniusBM(A=(0.100189,'m^3/(mol*s)'), n=2.67235, w0=(421.5,'kJ/mol'), E0=(32.4539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br", + kinetics = ArrheniusBM(A=(0.0193158,'m^3/(mol*s)'), n=2.50265, w0=(421.5,'kJ/mol'), E0=(37.0544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.031454561632879005, var=0.028378393145979494, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br + Total Standard Deviation in ln(k): 0.41674698115193515"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br +Total Standard Deviation in ln(k): 0.41674698115193515""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br +Total Standard Deviation in ln(k): 0.41674698115193515 +""", +) + +entry( + index = 1335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F", + kinetics = ArrheniusBM(A=(0.0243087,'m^3/(mol*s)'), n=2.48306, w0=(421.5,'kJ/mol'), E0=(37.4333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019441704625955954, var=0.006757545008307374, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F + Total Standard Deviation in ln(k): 0.2136463242720427"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F +Total Standard Deviation in ln(k): 0.2136463242720427""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F +Total Standard Deviation in ln(k): 0.2136463242720427 +""", +) + +entry( + index = 1336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.144102,'m^3/(mol*s)'), n=2.25738, w0=(421.5,'kJ/mol'), E0=(39.3171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05871553841484047, var=0.023793212032399366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R + Total Standard Deviation in ln(k): 0.45675783582677465"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R +Total Standard Deviation in ln(k): 0.45675783582677465""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R +Total Standard Deviation in ln(k): 0.45675783582677465 +""", +) + +entry( + index = 1337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_6R!H->C", + kinetics = ArrheniusBM(A=(7.15584e+07,'m^3/(mol*s)'), n=-0.556457, w0=(421.5,'kJ/mol'), E0=(45.5168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.0152985,'m^3/(mol*s)'), n=2.56276, w0=(421.5,'kJ/mol'), E0=(38.0457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_5CClF->F_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_N-5CClF->F", + kinetics = ArrheniusBM(A=(0.00221881,'m^3/(mol*s)'), n=2.75314, w0=(421.5,'kJ/mol'), E0=(34.3465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_N-5CClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_N-5CClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_N-5CClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_Sp-5R!H-4C_N-5R!H->Br_N-5CClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(1.25509e-05,'m^3/(mol*s)'), n=3.22637, w0=(421.5,'kJ/mol'), E0=(38.8367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1751102672014608, var=0.7972573346062224, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 2.229988817869605"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 2.229988817869605""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 2.229988817869605 +""", +) + +entry( + index = 1341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.02106,'m^3/(mol*s)'), n=1.68126, w0=(421.5,'kJ/mol'), E0=(47.9547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_1BrHN->H_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H", + kinetics = ArrheniusBM(A=(0.0030796,'m^3/(mol*s)'), n=2.50524, w0=(394.5,'kJ/mol'), E0=(22.3608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2441153269615824, var=16.441033252897594, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H + Total Standard Deviation in ln(k): 8.74206347088711"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H +Total Standard Deviation in ln(k): 8.74206347088711""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H +Total Standard Deviation in ln(k): 8.74206347088711 +""", +) + +entry( + index = 1343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N", + kinetics = ArrheniusBM(A=(5.44445e+06,'m^3/(mol*s)'), n=-0.133432, w0=(398.5,'kJ/mol'), E0=(45.6587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020144119427784574, var=15.969399028468303, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N + Total Standard Deviation in ln(k): 8.061881649784839"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N +Total Standard Deviation in ln(k): 8.061881649784839""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N +Total Standard Deviation in ln(k): 8.061881649784839 +""", +) + +entry( + index = 1344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.18503e+06,'m^3/(mol*s)'), n=0.0545666, w0=(398.5,'kJ/mol'), E0=(40.395,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_1BrN->N_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_N-1BrN->N", + kinetics = ArrheniusBM(A=(18919.9,'m^3/(mol*s)'), n=-0.120492, w0=(386.5,'kJ/mol'), E0=(38.6186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_N-1BrN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_N-1BrN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_N-1BrN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_4R!H->C_N-1BrCClHINOPSSi->O_N-1BrCClHN->Cl_N-1BrCHN->C_N-1BrHN->H_N-1BrN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C", + kinetics = ArrheniusBM(A=(13.3829,'m^3/(mol*s)'), n=1.54973, w0=(412.772,'kJ/mol'), E0=(37.032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12400881471237517, var=14.688528407635241, Tref=1000.0, N=565, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C',), comment="""BM rule fitted to 565 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C + Total Standard Deviation in ln(k): 7.994850609599974"""), + rank = 11, + shortDesc = """BM rule fitted to 565 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C +Total Standard Deviation in ln(k): 7.994850609599974""", + longDesc = +""" +BM rule fitted to 565 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C +Total Standard Deviation in ln(k): 7.994850609599974 +""", +) + +entry( + index = 1347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S", + kinetics = ArrheniusBM(A=(0.193562,'m^3/(mol*s)'), n=2.22987, w0=(411.236,'kJ/mol'), E0=(90.0284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17973425397694243, var=32.746313453710755, Tref=1000.0, N=445, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S',), comment="""BM rule fitted to 445 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S + Total Standard Deviation in ln(k): 11.923568730757186"""), + rank = 11, + shortDesc = """BM rule fitted to 445 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S +Total Standard Deviation in ln(k): 11.923568730757186""", + longDesc = +""" +BM rule fitted to 445 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S +Total Standard Deviation in ln(k): 11.923568730757186 +""", +) + +entry( + index = 1348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.10264,'m^3/(mol*s)'), n=1.7899, w0=(411.236,'kJ/mol'), E0=(95.1619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22111622061687924, var=37.32111645097697, Tref=1000.0, N=356, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R',), comment="""BM rule fitted to 356 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R + Total Standard Deviation in ln(k): 12.802697692999205"""), + rank = 11, + shortDesc = """BM rule fitted to 356 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R +Total Standard Deviation in ln(k): 12.802697692999205""", + longDesc = +""" +BM rule fitted to 356 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R +Total Standard Deviation in ln(k): 12.802697692999205 +""", +) + +entry( + index = 1349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.10024,'m^3/(mol*s)'), n=1.89297, w0=(411,'kJ/mol'), E0=(94.6563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21912091870219666, var=37.249585202716126, Tref=1000.0, N=340, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 340 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 12.78594205649806"""), + rank = 11, + shortDesc = """BM rule fitted to 340 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.78594205649806""", + longDesc = +""" +BM rule fitted to 340 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.78594205649806 +""", +) + +entry( + index = 1350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi", + kinetics = ArrheniusBM(A=(33.4699,'m^3/(mol*s)'), n=1.71737, w0=(411,'kJ/mol'), E0=(75.9817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16310169183799483, var=11.348798736484689, Tref=1000.0, N=96, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi',), comment="""BM rule fitted to 96 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi + Total Standard Deviation in ln(k): 7.163350399599564"""), + rank = 11, + shortDesc = """BM rule fitted to 96 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 7.163350399599564""", + longDesc = +""" +BM rule fitted to 96 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 7.163350399599564 +""", +) + +entry( + index = 1351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C", + kinetics = ArrheniusBM(A=(81776.4,'m^3/(mol*s)'), n=0.769017, w0=(411,'kJ/mol'), E0=(81.6285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20681203350889407, var=15.432123056898284, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C + Total Standard Deviation in ln(k): 8.3949775770649"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C +Total Standard Deviation in ln(k): 8.3949775770649""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C +Total Standard Deviation in ln(k): 8.3949775770649 +""", +) + +entry( + index = 1352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(4.77739e-05,'m^3/(mol*s)'), n=3.53785, w0=(411,'kJ/mol'), E0=(90.7417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0829012993646395, var=31.468765520849825, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 11.454262701890022"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.454262701890022""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.454262701890022 +""", +) + +entry( + index = 1353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.000380261,'m^3/(mol*s)'), n=3.27792, w0=(411,'kJ/mol'), E0=(93.1003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07901216043341365, var=38.25711296584664, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C + Total Standard Deviation in ln(k): 12.598277497104068"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C +Total Standard Deviation in ln(k): 12.598277497104068""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C +Total Standard Deviation in ln(k): 12.598277497104068 +""", +) + +entry( + index = 1354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.0522428,'m^3/(mol*s)'), n=2.67035, w0=(411,'kJ/mol'), E0=(102.677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011909884001688423, var=64.66289581905949, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 16.150649139971648"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 16.150649139971648""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 16.150649139971648 +""", +) + +entry( + index = 1355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(7.77708e-09,'m^3/(mol*s)'), n=4.59241, w0=(411,'kJ/mol'), E0=(55.8566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29957363641762635, var=81.07110137683104, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 18.803230395364576"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 18.803230395364576""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 18.803230395364576 +""", +) + +entry( + index = 1356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(3.85671e-08,'m^3/(mol*s)'), n=4.46122, w0=(411,'kJ/mol'), E0=(115.926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10963181921035835, var=186.81554431950562, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 27.67627269786139"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 27.67627269786139""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 27.67627269786139 +""", +) + +entry( + index = 1357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.98955e-08,'m^3/(mol*s)'), n=4.46116, w0=(411,'kJ/mol'), E0=(82.4905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10911866030771826, var=142.55171563783807, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_N-5R!H->C + Total Standard Deviation in ln(k): 24.20970659478194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_N-5R!H->C +Total Standard Deviation in ln(k): 24.20970659478194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-6C-R_N-5R!H->C +Total Standard Deviation in ln(k): 24.20970659478194 +""", +) + +entry( + index = 1358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(143.811,'m^3/(mol*s)'), n=1.52554, w0=(411,'kJ/mol'), E0=(71.678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14492827424552138, var=13.71414512730233, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 7.788199457258624"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 7.788199457258624""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 7.788199457258624 +""", +) + +entry( + index = 1359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.1024,'m^3/(mol*s)'), n=2.14398, w0=(411,'kJ/mol'), E0=(76.7226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14714953074575607, var=14.973042787974986, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 8.127048068912371"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 8.127048068912371""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 8.127048068912371 +""", +) + +entry( + index = 1360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(11.2657,'m^3/(mol*s)'), n=1.88492, w0=(411,'kJ/mol'), E0=(84.9605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24066329379075063, var=18.22104326094832, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 9.162116642572446"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 9.162116642572446""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 9.162116642572446 +""", +) + +entry( + index = 1361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C", + kinetics = ArrheniusBM(A=(22.9261,'m^3/(mol*s)'), n=1.75072, w0=(411,'kJ/mol'), E0=(88.2433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25846137092848126, var=19.721509710932157, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C + Total Standard Deviation in ln(k): 9.552209678133254"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 9.552209678133254""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 9.552209678133254 +""", +) + +entry( + index = 1362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(1305.98,'m^3/(mol*s)'), n=1.24067, w0=(411,'kJ/mol'), E0=(91.9853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2819042029590415, var=27.125618825686505, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C + Total Standard Deviation in ln(k): 11.149415516682236"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C +Total Standard Deviation in ln(k): 11.149415516682236""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C +Total Standard Deviation in ln(k): 11.149415516682236 +""", +) + +entry( + index = 1363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.41341e+07,'m^3/(mol*s)'), n=0.014844, w0=(411,'kJ/mol'), E0=(107.26,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4406606444161091, var=48.80270377846719, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 15.112052690404557"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 15.112052690404557""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 15.112052690404557 +""", +) + +entry( + index = 1364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(1.48108e-08,'m^3/(mol*s)'), n=4.33958, w0=(411,'kJ/mol'), E0=(28.512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11656258335286311, var=80.28877418107598, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 18.256099673482755"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 18.256099673482755""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 18.256099673482755 +""", +) + +entry( + index = 1365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(7.31023e-08,'m^3/(mol*s)'), n=4.20838, w0=(411,'kJ/mol'), E0=(97.1086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10593981310156451, var=107.6820842818025, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 21.069312013487473"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 21.069312013487473""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 21.069312013487473 +""", +) + +entry( + index = 1366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(7.18557e-08,'m^3/(mol*s)'), n=4.20833, w0=(411,'kJ/mol'), E0=(69.1104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1099303585546119, var=44.235672880807215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 13.609680622022582"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 13.609680622022582""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 13.609680622022582 +""", +) + +entry( + index = 1367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.00203646,'m^3/(mol*s)'), n=3.00311, w0=(411,'kJ/mol'), E0=(72.3177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09868133600539732, var=30.04489222558489, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C + Total Standard Deviation in ln(k): 11.236541787500997"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.236541787500997""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.236541787500997 +""", +) + +entry( + index = 1368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(0.0297134,'m^3/(mol*s)'), n=2.66254, w0=(411,'kJ/mol'), E0=(75.6674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15882084105960684, var=41.78865444512009, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C + Total Standard Deviation in ln(k): 13.358485782971343"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C +Total Standard Deviation in ln(k): 13.358485782971343""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C +Total Standard Deviation in ln(k): 13.358485782971343 +""", +) + +entry( + index = 1369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(21.6284,'m^3/(mol*s)'), n=1.83914, w0=(411,'kJ/mol'), E0=(84.9878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1474122423923877, var=70.58600916608347, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 17.21326054270183"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 17.21326054270183""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 17.21326054270183 +""", +) + +entry( + index = 1370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(2.57489e-08,'m^3/(mol*s)'), n=4.36221, w0=(411,'kJ/mol'), E0=(43.899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22677137519201293, var=315.8813338466307, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 36.200035645321464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 36.200035645321464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 36.200035645321464 +""", +) + +entry( + index = 1371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(1.27354e-07,'m^3/(mol*s)'), n=4.23102, w0=(411,'kJ/mol'), E0=(72.0592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09739270022494621, var=30.217473762595326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 11.264818745635782"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 11.264818745635782""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 11.264818745635782 +""", +) + +entry( + index = 1372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.25076e-07,'m^3/(mol*s)'), n=4.23096, w0=(411,'kJ/mol'), E0=(60.6771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10461083357097994, var=57.11161845051657, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 15.413071190718505"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 15.413071190718505""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 15.413071190718505 +""", +) + +entry( + index = 1373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.36728,'m^3/(mol*s)'), n=2.05686, w0=(411,'kJ/mol'), E0=(65.8725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16706438851736627, var=15.085037140057674, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 8.20604271225586"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.20604271225586""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.20604271225586 +""", +) + +entry( + index = 1374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C", + kinetics = ArrheniusBM(A=(64.0332,'m^3/(mol*s)'), n=1.57122, w0=(411,'kJ/mol'), E0=(70.5166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15633400756868834, var=21.6694844990401, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C + Total Standard Deviation in ln(k): 9.72493974329578"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C +Total Standard Deviation in ln(k): 9.72493974329578""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C +Total Standard Deviation in ln(k): 9.72493974329578 +""", +) + +entry( + index = 1375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.5762e+06,'m^3/(mol*s)'), n=0.177109, w0=(411,'kJ/mol'), E0=(89.6951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15455608203604818, var=33.41926395091988, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.97758448486364"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.97758448486364""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.97758448486364 +""", +) + +entry( + index = 1376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(1.65424e-05,'m^3/(mol*s)'), n=3.42154, w0=(411,'kJ/mol'), E0=(22.8869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22816013804794166, var=95.68489731552488, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 20.18331604576572"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 20.18331604576572""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 20.18331604576572 +""", +) + +entry( + index = 1377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(5.47752e-09,'m^3/(mol*s)'), n=4.48628, w0=(411,'kJ/mol'), E0=(72.0876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15309244761065924, var=43.05595143965242, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 13.539131353737044"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 13.539131353737044""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 13.539131353737044 +""", +) + +entry( + index = 1378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-5R!H->C", + kinetics = ArrheniusBM(A=(5.37283e-09,'m^3/(mol*s)'), n=4.48622, w0=(411,'kJ/mol'), E0=(43.6189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16464231526075251, var=8.05404194535606, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-5R!H->C + Total Standard Deviation in ln(k): 6.103040943444454"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-5R!H->C +Total Standard Deviation in ln(k): 6.103040943444454""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-5R!H->C +Total Standard Deviation in ln(k): 6.103040943444454 +""", +) + +entry( + index = 1379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C", + kinetics = ArrheniusBM(A=(1000.63,'m^3/(mol*s)'), n=1.25423, w0=(411,'kJ/mol'), E0=(52.9366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.024561402052490452, var=8.763530349754523, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C + Total Standard Deviation in ln(k): 5.996381547710338"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C +Total Standard Deviation in ln(k): 5.996381547710338""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C +Total Standard Deviation in ln(k): 5.996381547710338 +""", +) + +entry( + index = 1380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(29840,'m^3/(mol*s)'), n=0.823708, w0=(411,'kJ/mol'), E0=(57.7992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036339036149535056, var=13.184828385413647, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C + Total Standard Deviation in ln(k): 7.370681411870529"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 7.370681411870529""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 7.370681411870529 +""", +) + +entry( + index = 1381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.10359e+06,'m^3/(mol*s)'), n=0.188893, w0=(411,'kJ/mol'), E0=(65.2159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07977599970691583, var=23.018724134785703, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 9.818726589674586"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 9.818726589674586""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 9.818726589674586 +""", +) + +entry( + index = 1382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(233.653,'m^3/(mol*s)'), n=1.39817, w0=(411,'kJ/mol'), E0=(7.93591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07824246656121682, var=88.37496109310254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 19.04269414577853"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 19.04269414577853""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 19.04269414577853 +""", +) + +entry( + index = 1383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(2.20019e-08,'m^3/(mol*s)'), n=4.33878, w0=(411,'kJ/mol'), E0=(34.4912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03183267800339773, var=11.982847026589466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 7.019622487504507"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 7.019622487504507""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 7.019622487504507 +""", +) + +entry( + index = 1384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.22249e-07,'m^3/(mol*s)'), n=4.11858, w0=(411,'kJ/mol'), E0=(14.0399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05748901309266898, var=0.8132483375953985, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 1.9523205153718641"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 1.9523205153718641""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 1.9523205153718641 +""", +) + +entry( + index = 1385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(614.306,'m^3/(mol*s)'), n=1.33782, w0=(411,'kJ/mol'), E0=(61.2407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19672769519943975, var=17.164848958087184, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C + Total Standard Deviation in ln(k): 8.800004883372534"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 8.800004883372534""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 8.800004883372534 +""", +) + +entry( + index = 1386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(90430.3,'m^3/(mol*s)'), n=0.750301, w0=(411,'kJ/mol'), E0=(74.0264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1257262020324137, var=22.499468696053327, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C + Total Standard Deviation in ln(k): 9.82507613012553"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 9.82507613012553""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 9.82507613012553 +""", +) + +entry( + index = 1387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.94098e+10,'m^3/(mol*s)'), n=-0.88109, w0=(411,'kJ/mol'), E0=(99.6917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12133469365933208, var=33.493035299073036, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.90689795531157"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.90689795531157""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.90689795531157 +""", +) + +entry( + index = 1388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(0.423628,'m^3/(mol*s)'), n=2.25597, w0=(411,'kJ/mol'), E0=(10.1663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.466531088556593, var=44.39724016759283, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 14.529989889922119"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 14.529989889922119""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 14.529989889922119 +""", +) + +entry( + index = 1389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(2.14212e-09,'m^3/(mol*s)'), n=4.70041, w0=(411,'kJ/mol'), E0=(76.3377,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.327959561932442, var=47.05464680410846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 14.575777862033101"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 14.575777862033101""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 14.575777862033101 +""", +) + +entry( + index = 1390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.48679e-05,'m^3/(mol*s)'), n=3.4191, w0=(411,'kJ/mol'), E0=(3.92832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41424296813441924, var=13.151195084781254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 8.31089833468339"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 8.31089833468339""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 8.31089833468339 +""", +) + +entry( + index = 1391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(154674,'m^3/(mol*s)'), n=0.723196, w0=(411,'kJ/mol'), E0=(60.892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041585121925963656, var=9.85433029623735, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C + Total Standard Deviation in ln(k): 6.397670926224154"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 6.397670926224154""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 6.397670926224154 +""", +) + +entry( + index = 1392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.05036e+07,'m^3/(mol*s)'), n=-0.000502709, w0=(411,'kJ/mol'), E0=(68.9289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1424364323927666, var=18.036733498629985, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 8.871925333620009"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 8.871925333620009""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 8.871925333620009 +""", +) + +entry( + index = 1393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(3009.74,'m^3/(mol*s)'), n=1.176, w0=(411,'kJ/mol'), E0=(7.66494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07524659537844407, var=50.3169450482193, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C + Total Standard Deviation in ln(k): 14.409537417578479"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 14.409537417578479""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 14.409537417578479 +""", +) + +entry( + index = 1394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(1.85626e-08,'m^3/(mol*s)'), n=4.45574, w0=(411,'kJ/mol'), E0=(34.1991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10443667831745299, var=32.97001645759107, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + Total Standard Deviation in ln(k): 11.773496945165322"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 11.773496945165322""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 11.773496945165322 +""", +) + +entry( + index = 1395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.05619e-07,'m^3/(mol*s)'), n=4.23707, w0=(411,'kJ/mol'), E0=(17.5097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10437168177932246, var=10.060747160223151, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 6.620995621007157"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 6.620995621007157""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 6.620995621007157 +""", +) + +entry( + index = 1396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C", + kinetics = ArrheniusBM(A=(8.7285e-25,'m^3/(mol*s)'), n=9.01616, w0=(411,'kJ/mol'), E0=(10.601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47191430937457085, var=4.279922562861548, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C + Total Standard Deviation in ln(k): 5.333105003119854"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C +Total Standard Deviation in ln(k): 5.333105003119854""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C +Total Standard Deviation in ln(k): 5.333105003119854 +""", +) + +entry( + index = 1397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(4.11289e-25,'m^3/(mol*s)'), n=9.11082, w0=(411,'kJ/mol'), E0=(12.074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39983513373209323, var=6.283845902552996, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C + Total Standard Deviation in ln(k): 6.030000673336312"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 6.030000673336312""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 6.030000673336312 +""", +) + +entry( + index = 1398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(8.5055e-27,'m^3/(mol*s)'), n=9.57792, w0=(411,'kJ/mol'), E0=(8.98432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5299031980473777, var=4.362822907005616, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 5.518779714632756"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 5.518779714632756""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 5.518779714632756 +""", +) + +entry( + index = 1399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.59163e-30,'m^3/(mol*s)'), n=10.4797, w0=(411,'kJ/mol'), E0=(7.69944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6130296657795749, var=4.941903131043648, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.996880135521816"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.996880135521816""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.996880135521816 +""", +) + +entry( + index = 1400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.27127e-13,'m^3/(mol*s)'), n=5.67952, w0=(411,'kJ/mol'), E0=(54.3057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3907322802248982, var=13.030318351468086, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 8.218338310129683"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.218338310129683""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.218338310129683 +""", +) + +entry( + index = 1401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.5098e-35,'m^3/(mol*s)'), n=11.9119, w0=(411,'kJ/mol'), E0=(-1.65742e-05,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.710288407468606, var=0.4531062526747403, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R + Total Standard Deviation in ln(k): 3.1340949216195257"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R +Total Standard Deviation in ln(k): 3.1340949216195257""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R +Total Standard Deviation in ln(k): 3.1340949216195257 +""", +) + +entry( + index = 1402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(7.97e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(53.9736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0539125955568216e-15, var=1.1131875078558268e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 7.20474972277984e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 7.20474972277984e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 7.20474972277984e-14 +""", +) + +entry( + index = 1403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(3.94611e-08,'m^3/(mol*s)'), n=4.2088, w0=(411,'kJ/mol'), E0=(94.6784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08838220721381126, var=0.09095898699126616, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 0.8266820716025389"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 0.8266820716025389""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 0.8266820716025389 +""", +) + +entry( + index = 1404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.2616e-36,'m^3/(mol*s)'), n=12.2478, w0=(411,'kJ/mol'), E0=(-5.40461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.99936246939258, var=0.44572020013792196, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.849367819584415"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.849367819584415""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.849367819584415 +""", +) + +entry( + index = 1405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.23382e-36,'m^3/(mol*s)'), n=12.3511, w0=(411,'kJ/mol'), E0=(-3.80168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0536098699472962, var=0.22416072220132222, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R + Total Standard Deviation in ln(k): 3.5964151232953037"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R +Total Standard Deviation in ln(k): 3.5964151232953037""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R +Total Standard Deviation in ln(k): 3.5964151232953037 +""", +) + +entry( + index = 1406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(5.41379e-09,'m^3/(mol*s)'), n=4.4712, w0=(411,'kJ/mol'), E0=(94.2506,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12949623656187323, var=0.09096178415063769, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 0.9299929493487947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 0.9299929493487947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 0.9299929493487947 +""", +) + +entry( + index = 1407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(2.68e-08,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(66.1072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.494804694057461e-15, var=1.0923319976740562e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 8.257599369045519e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 8.257599369045519e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 8.257599369045519e-14 +""", +) + +entry( + index = 1408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C", + kinetics = ArrheniusBM(A=(4.38485e-11,'m^3/(mol*s)'), n=5.06857, w0=(411,'kJ/mol'), E0=(43.8364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27848397849603534, var=5.680714851163657, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C + Total Standard Deviation in ln(k): 5.47784424121507"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C +Total Standard Deviation in ln(k): 5.47784424121507""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C +Total Standard Deviation in ln(k): 5.47784424121507 +""", +) + +entry( + index = 1409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(7.92518e-07,'m^3/(mol*s)'), n=3.85397, w0=(411,'kJ/mol'), E0=(60.0734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0347528310459179, var=5.477787381526559, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 4.779335650067994"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.779335650067994""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.779335650067994 +""", +) + +entry( + index = 1410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.26421e-08,'m^3/(mol*s)'), n=4.335, w0=(411,'kJ/mol'), E0=(51.4761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008434611532866182, var=26.495341946950163, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 10.3402908926781"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 10.3402908926781""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 10.3402908926781 +""", +) + +entry( + index = 1411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(6.25524e-08,'m^3/(mol*s)'), n=4.20381, w0=(411,'kJ/mol'), E0=(60.7808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11691610019959375, var=2.343375630736479, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 3.362625175680606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 3.362625175680606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 3.362625175680606 +""", +) + +entry( + index = 1412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.33502e-25,'m^3/(mol*s)'), n=9.11627, w0=(411,'kJ/mol'), E0=(8.09772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3146574564602898, var=4.796265684412228, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C + Total Standard Deviation in ln(k): 5.181042277209166"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.181042277209166""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.181042277209166 +""", +) + +entry( + index = 1413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.25611e-25,'m^3/(mol*s)'), n=9.19574, w0=(411,'kJ/mol'), E0=(13.8878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.400098166654579, var=7.282756590380129, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 6.41536672036406"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 6.41536672036406""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 6.41536672036406 +""", +) + +entry( + index = 1414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(5.30954e-09,'m^3/(mol*s)'), n=4.47125, w0=(411,'kJ/mol'), E0=(65.5664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13869589984723033, var=11.665786469515044, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 7.195697729054933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 7.195697729054933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 7.195697729054933 +""", +) + +entry( + index = 1415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(2.62216e-08,'m^3/(mol*s)'), n=4.34006, w0=(411,'kJ/mol'), E0=(57.1113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-8.094266368089594e-15, var=6.72483768375466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 5.19873754097126"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 5.19873754097126""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 5.19873754097126 +""", +) + +entry( + index = 1416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.01622e-06,'m^3/(mol*s)'), n=3.8998, w0=(411,'kJ/mol'), E0=(60.138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4938957911644214, var=20.039768987291623, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 10.215301261583967"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 10.215301261583967""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 10.215301261583967 +""", +) + +entry( + index = 1417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(7.97696e-09,'m^3/(mol*s)'), n=4.46898, w0=(411,'kJ/mol'), E0=(50.4908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1485258490696261, var=73.8456677689717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C + Total Standard Deviation in ln(k): 17.600571116302078"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 17.600571116302078""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 17.600571116302078 +""", +) + +entry( + index = 1418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(3.95325e-08,'m^3/(mol*s)'), n=4.33778, w0=(411,'kJ/mol'), E0=(59.8288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0019350109763091603, var=1.4802117512768, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + Total Standard Deviation in ln(k): 2.443901783340758"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 2.443901783340758""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 2.443901783340758 +""", +) + +entry( + index = 1419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(4.16437e-23,'m^3/(mol*s)'), n=8.53214, w0=(411,'kJ/mol'), E0=(9.49239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2029226121672901, var=2.8773079995797484, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 3.9104136482002043"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 3.9104136482002043""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 3.9104136482002043 +""", +) + +entry( + index = 1420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.24801e-23,'m^3/(mol*s)'), n=8.65853, w0=(411,'kJ/mol'), E0=(8.67178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21376297639345468, var=3.225327017676952, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 4.137435816655844"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 4.137435816655844""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 4.137435816655844 +""", +) + +entry( + index = 1421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.4271e-24,'m^3/(mol*s)'), n=8.96067, w0=(411,'kJ/mol'), E0=(8.21547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17516332216397745, var=4.834506579403978, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C + Total Standard Deviation in ln(k): 4.848022388187347"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C +Total Standard Deviation in ln(k): 4.848022388187347""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C +Total Standard Deviation in ln(k): 4.848022388187347 +""", +) + +entry( + index = 1422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(7.34375e-25,'m^3/(mol*s)'), n=9.04126, w0=(411,'kJ/mol'), E0=(14.7031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2849626873975746, var=7.140218023678049, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 6.072876619360073"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 6.072876619360073""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 6.072876619360073 +""", +) + +entry( + index = 1423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(3.87344e-08,'m^3/(mol*s)'), n=4.20875, w0=(411,'kJ/mol'), E0=(66.0068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07929667072635879, var=11.666573119765303, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 7.0466842924716975"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 7.0466842924716975""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 7.0466842924716975 +""", +) + +entry( + index = 1424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(2.62441e-08,'m^3/(mol*s)'), n=4.33994, w0=(411,'kJ/mol'), E0=(57.1119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1710853468725369e-14, var=6.724837683754432, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C + Total Standard Deviation in ln(k): 5.19873754097118"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 5.19873754097118""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_7R!H->C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 5.19873754097118 +""", +) + +entry( + index = 1425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.77e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(38.9112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-9.992007221630535e-16, var=1.6536743244728377e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C + Total Standard Deviation in ln(k): 8.403389772919113e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 8.403389772919113e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->C_N-5R!H->C_Ext-1BrCClHINOPSSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 8.403389772919113e-14 +""", +) + +entry( + index = 1426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi", + kinetics = ArrheniusBM(A=(0.00413365,'m^3/(mol*s)'), n=2.60908, w0=(411,'kJ/mol'), E0=(95.3627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18283668852622315, var=40.26076263787972, Tref=1000.0, N=244, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi',), comment="""BM rule fitted to 244 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi + Total Standard Deviation in ln(k): 13.179707235513188"""), + rank = 11, + shortDesc = """BM rule fitted to 244 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 13.179707235513188""", + longDesc = +""" +BM rule fitted to 244 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 13.179707235513188 +""", +) + +entry( + index = 1427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.73227e-05,'m^3/(mol*s)'), n=3.40181, w0=(411,'kJ/mol'), E0=(89.3966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05718279456686431, var=25.421368657125676, Tref=1000.0, N=196, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R',), comment="""BM rule fitted to 196 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R + Total Standard Deviation in ln(k): 10.251471027578994"""), + rank = 11, + shortDesc = """BM rule fitted to 196 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R +Total Standard Deviation in ln(k): 10.251471027578994""", + longDesc = +""" +BM rule fitted to 196 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R +Total Standard Deviation in ln(k): 10.251471027578994 +""", +) + +entry( + index = 1428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.36612e-05,'m^3/(mol*s)'), n=3.42512, w0=(411,'kJ/mol'), E0=(87.5903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08583936593139405, var=25.626616992349057, Tref=1000.0, N=164, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 164 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 10.364194848367173"""), + rank = 11, + shortDesc = """BM rule fitted to 164 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.364194848367173""", + longDesc = +""" +BM rule fitted to 164 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.364194848367173 +""", +) + +entry( + index = 1429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C", + kinetics = ArrheniusBM(A=(6.98967e-05,'m^3/(mol*s)'), n=3.24145, w0=(411,'kJ/mol'), E0=(91.4752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08768587238595156, var=25.092788043651456, Tref=1000.0, N=123, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C',), comment="""BM rule fitted to 123 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C + Total Standard Deviation in ln(k): 10.262575965781044"""), + rank = 11, + shortDesc = """BM rule fitted to 123 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C +Total Standard Deviation in ln(k): 10.262575965781044""", + longDesc = +""" +BM rule fitted to 123 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C +Total Standard Deviation in ln(k): 10.262575965781044 +""", +) + +entry( + index = 1430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(671892,'m^3/(mol*s)'), n=0.38125, w0=(411,'kJ/mol'), E0=(100.424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36893484473361904, var=28.35943461881474, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.602903349892976"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.602903349892976""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.602903349892976 +""", +) + +entry( + index = 1431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing", + kinetics = ArrheniusBM(A=(1.13512e+08,'m^3/(mol*s)'), n=-0.0800355, w0=(411,'kJ/mol'), E0=(62.7186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3521347922394761, var=9.530224408902567, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing + Total Standard Deviation in ln(k): 7.073590780005844"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing +Total Standard Deviation in ln(k): 7.073590780005844""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing +Total Standard Deviation in ln(k): 7.073590780005844 +""", +) + +entry( + index = 1432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.60622e+10,'m^3/(mol*s)'), n=-0.800241, w0=(411,'kJ/mol'), E0=(70.6714,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.743675814987873, var=20.138283505377544, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R + Total Standard Deviation in ln(k): 10.864920966464926"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 10.864920966464926""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 10.864920966464926 +""", +) + +entry( + index = 1433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_Sp-10R!H=5C", + kinetics = ArrheniusBM(A=(7.96352e+06,'m^3/(mol*s)'), n=0.213251, w0=(411,'kJ/mol'), E0=(0.574352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3570688488845561, var=24.22668191548956, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_Sp-10R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_Sp-10R!H=5C + Total Standard Deviation in ln(k): 10.764585727714266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_Sp-10R!H=5C +Total Standard Deviation in ln(k): 10.764585727714266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_Sp-10R!H=5C +Total Standard Deviation in ln(k): 10.764585727714266 +""", +) + +entry( + index = 1434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_N-Sp-10R!H=5C", + kinetics = ArrheniusBM(A=(1.40634e-07,'m^3/(mol*s)'), n=4.22167, w0=(411,'kJ/mol'), E0=(25.9513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2616815951066681, var=62.901600650013364, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_N-Sp-10R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_N-Sp-10R!H=5C + Total Standard Deviation in ln(k): 16.557151463475236"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_N-Sp-10R!H=5C +Total Standard Deviation in ln(k): 16.557151463475236""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_1BrCClHINOPSSi-inRing_Ext-5C-R_N-Sp-10R!H=5C +Total Standard Deviation in ln(k): 16.557151463475236 +""", +) + +entry( + index = 1435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.51793e-35,'m^3/(mol*s)'), n=11.9373, w0=(411,'kJ/mol'), E0=(10.0668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5901595366575058, var=28.908112113207853, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R + Total Standard Deviation in ln(k): 12.261524572839363"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R +Total Standard Deviation in ln(k): 12.261524572839363""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R +Total Standard Deviation in ln(k): 12.261524572839363 +""", +) + +entry( + index = 1436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.89241e-39,'m^3/(mol*s)'), n=13.0112, w0=(411,'kJ/mol'), E0=(5.61646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6154000718918138, var=48.329413860559725, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 15.483021249952131"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 15.483021249952131""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 15.483021249952131 +""", +) + +entry( + index = 1437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C", + kinetics = ArrheniusBM(A=(4.59618e-09,'m^3/(mol*s)'), n=4.32423, w0=(411,'kJ/mol'), E0=(77.1515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09351766343730032, var=57.267446515111985, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C + Total Standard Deviation in ln(k): 15.405853395007572"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C +Total Standard Deviation in ln(k): 15.405853395007572""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C +Total Standard Deviation in ln(k): 15.405853395007572 +""", +) + +entry( + index = 1438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.47072e-09,'m^3/(mol*s)'), n=4.4006, w0=(411,'kJ/mol'), E0=(76.0965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07103930794628614, var=252.06966805084315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 32.00707224064366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 32.00707224064366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 32.00707224064366 +""", +) + +entry( + index = 1439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C", + kinetics = ArrheniusBM(A=(5.22243e-11,'m^3/(mol*s)'), n=4.9492, w0=(411,'kJ/mol'), E0=(101.112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0993036197955478, var=59.30889982748146, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C + Total Standard Deviation in ln(k): 15.688426816525084"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C +Total Standard Deviation in ln(k): 15.688426816525084""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C +Total Standard Deviation in ln(k): 15.688426816525084 +""", +) + +entry( + index = 1440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(7.2893e-09,'m^3/(mol*s)'), n=4.26941, w0=(411,'kJ/mol'), E0=(81.5151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1426584369116531, var=15.900548533421475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 8.352418015400431"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 8.352418015400431""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 8.352418015400431 +""", +) + +entry( + index = 1441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.98709e-10,'m^3/(mol*s)'), n=4.74358, w0=(411,'kJ/mol'), E0=(70.1582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14174821471853696, var=17.065216774135326, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 8.637725431295923"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.637725431295923""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 8.637725431295923 +""", +) + +entry( + index = 1442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C", + kinetics = ArrheniusBM(A=(2.40153e-09,'m^3/(mol*s)'), n=4.51399, w0=(411,'kJ/mol'), E0=(66.0834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1785939740427073, var=49.18684420795246, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C + Total Standard Deviation in ln(k): 14.508603886987437"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C +Total Standard Deviation in ln(k): 14.508603886987437""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C +Total Standard Deviation in ln(k): 14.508603886987437 +""", +) + +entry( + index = 1443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(3.11066e-09,'m^3/(mol*s)'), n=4.37606, w0=(411,'kJ/mol'), E0=(66.2578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02785813188239701, var=222.11478237008117, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 29.947596151119782"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 29.947596151119782""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 29.947596151119782 +""", +) + +entry( + index = 1444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C", + kinetics = ArrheniusBM(A=(4.58046e-09,'m^3/(mol*s)'), n=4.50166, w0=(411,'kJ/mol'), E0=(78.4273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05429474501622302, var=4.193478763775674, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C + Total Standard Deviation in ln(k): 4.241712474592697"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C +Total Standard Deviation in ln(k): 4.241712474592697""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C +Total Standard Deviation in ln(k): 4.241712474592697 +""", +) + +entry( + index = 1445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.54133e-08,'m^3/(mol*s)'), n=4.24487, w0=(411,'kJ/mol'), E0=(77.5413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06993967004255901, var=22.266540479808732, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 9.635558485298638"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 9.635558485298638""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Ext-5C-R_N-Sp-7R!H=6R!H_N-Sp-10R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 9.635558485298638 +""", +) + +entry( + index = 1446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.28311e-12,'m^3/(mol*s)'), n=5.25304, w0=(411,'kJ/mol'), E0=(62.7947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20675040671463538, var=38.92655269531249, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 13.027245547869553"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.027245547869553""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.027245547869553 +""", +) + +entry( + index = 1447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.10786e-09,'m^3/(mol*s)'), n=4.4056, w0=(411,'kJ/mol'), E0=(55.2174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04378561072654359, var=53.97161473978069, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 14.837875725724807"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 14.837875725724807""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 14.837875725724807 +""", +) + +entry( + index = 1448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(9.30408e-11,'m^3/(mol*s)'), n=4.90075, w0=(411,'kJ/mol'), E0=(44.0113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15858157669590978, var=8.086459207800095, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 6.099251219097171"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.099251219097171""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.099251219097171 +""", +) + +entry( + index = 1449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.34379e-09,'m^3/(mol*s)'), n=4.38106, w0=(411,'kJ/mol'), E0=(46.8934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022604662356373866, var=40.84800738927944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 12.86954784871483"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.86954784871483""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-8R!H-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.86954784871483 +""", +) + +entry( + index = 1450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.86152e-35,'m^3/(mol*s)'), n=12.017, w0=(411,'kJ/mol'), E0=(7.17106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6379352085939022, var=23.875399895468856, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C + Total Standard Deviation in ln(k): 11.39848102007053"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 11.39848102007053""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 11.39848102007053 +""", +) + +entry( + index = 1451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(1.39427e-31,'m^3/(mol*s)'), n=10.9326, w0=(411,'kJ/mol'), E0=(15.7039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.411484766079913, var=23.820877147164822, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 10.818318835692573"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 10.818318835692573""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 10.818318835692573 +""", +) + +entry( + index = 1452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.0082e-34,'m^3/(mol*s)'), n=11.8553, w0=(411,'kJ/mol'), E0=(15.0768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31581337307069535, var=33.68260339446151, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 12.428324859955357"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 12.428324859955357""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 12.428324859955357 +""", +) + +entry( + index = 1453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(9.49611e-37,'m^3/(mol*s)'), n=12.4625, w0=(411,'kJ/mol'), E0=(1.87511,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25854730305730483, var=52.17318321578947, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 15.130019609884746"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 15.130019609884746""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 15.130019609884746 +""", +) + +entry( + index = 1454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C", + kinetics = ArrheniusBM(A=(0.00103008,'m^3/(mol*s)'), n=3.0357, w0=(411,'kJ/mol'), E0=(85.0209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09331680965176484, var=89.08854438376034, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C + Total Standard Deviation in ln(k): 19.156502808875796"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C +Total Standard Deviation in ln(k): 19.156502808875796""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C +Total Standard Deviation in ln(k): 19.156502808875796 +""", +) + +entry( + index = 1455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(2.60099e-07,'m^3/(mol*s)'), n=4.03254, w0=(411,'kJ/mol'), E0=(68.1406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5210859932054638, var=373.23436834812225, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_Sp-9R!H=5C + Total Standard Deviation in ln(k): 40.03928860865706"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_Sp-9R!H=5C +Total Standard Deviation in ln(k): 40.03928860865706""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_Sp-9R!H=5C +Total Standard Deviation in ln(k): 40.03928860865706 +""", +) + +entry( + index = 1456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(1.28858e-06,'m^3/(mol*s)'), n=3.90134, w0=(411,'kJ/mol'), E0=(84.7532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3330183212457084, var=64.48055495007438, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 16.934709049947177"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 16.934709049947177""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_10R!H->C_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 16.934709049947177 +""", +) + +entry( + index = 1457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(7.80046e-44,'m^3/(mol*s)'), n=14.4542, w0=(411,'kJ/mol'), E0=(0.72775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6003109930538614, var=53.72372527886682, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C + Total Standard Deviation in ln(k): 16.20231954220192"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C +Total Standard Deviation in ln(k): 16.20231954220192""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C +Total Standard Deviation in ln(k): 16.20231954220192 +""", +) + +entry( + index = 1458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(5.14404e-09,'m^3/(mol*s)'), n=4.44429, w0=(411,'kJ/mol'), E0=(86.1226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029132850377348214, var=32.20797837090011, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_Sp-9R!H=5C + Total Standard Deviation in ln(k): 11.450485345848623"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_Sp-9R!H=5C +Total Standard Deviation in ln(k): 11.450485345848623""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_Sp-9R!H=5C +Total Standard Deviation in ln(k): 11.450485345848623 +""", +) + +entry( + index = 1459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(2.54009e-08,'m^3/(mol*s)'), n=4.31309, w0=(411,'kJ/mol'), E0=(144.315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11282537728727124, var=147.8412946368694, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 24.659055777691318"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 24.659055777691318""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Ext-1BrCClHINOPSSi-R_N-10R!H->C_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 24.659055777691318 +""", +) + +entry( + index = 1460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(2.12643e-09,'m^3/(mol*s)'), n=4.51246, w0=(411,'kJ/mol'), E0=(70.426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11616172870972301, var=73.31391922548791, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 17.457116594610472"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 17.457116594610472""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 17.457116594610472 +""", +) + +entry( + index = 1461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(1.05214e-08,'m^3/(mol*s)'), n=4.38126, w0=(411,'kJ/mol'), E0=(88.1759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003782494117638577, var=0.9562070323723155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 1.969850770737563"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 1.969850770737563""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 1.969850770737563 +""", +) + +entry( + index = 1462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.16855e-30,'m^3/(mol*s)'), n=10.569, w0=(411,'kJ/mol'), E0=(0.193043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5978546016941446, var=44.93478966128316, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 14.940571439468565"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 14.940571439468565""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 14.940571439468565 +""", +) + +entry( + index = 1463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_9R!H->C", + kinetics = ArrheniusBM(A=(1.62409e-07,'m^3/(mol*s)'), n=4.03754, w0=(411,'kJ/mol'), E0=(59.3701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22123137441211158, var=109.99669391561703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_9R!H->C + Total Standard Deviation in ln(k): 21.58138062728006"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_9R!H->C +Total Standard Deviation in ln(k): 21.58138062728006""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_9R!H->C +Total Standard Deviation in ln(k): 21.58138062728006 +""", +) + +entry( + index = 1464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.14521e-09,'m^3/(mol*s)'), n=4.44929, w0=(411,'kJ/mol'), E0=(97.1417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018451689124538376, var=70.52789792562122, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_N-9R!H->C + Total Standard Deviation in ln(k): 16.882304518768915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_N-9R!H->C +Total Standard Deviation in ln(k): 16.882304518768915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_8R!H->C_Ext-1BrCClHINOPSSi-R_N-9R!H->C +Total Standard Deviation in ln(k): 16.882304518768915 +""", +) + +entry( + index = 1465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.72015e-15,'m^3/(mol*s)'), n=6.30766, w0=(411,'kJ/mol'), E0=(92.4966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.449865730352616, var=50.19051820425572, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 15.33291503687446"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.33291503687446""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.33291503687446 +""", +) + +entry( + index = 1466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.14625e-47,'m^3/(mol*s)'), n=15.4573, w0=(411,'kJ/mol'), E0=(0.602304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5406477611957243, var=77.65650546599409, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 19.024724070775616"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 19.024724070775616""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 19.024724070775616 +""", +) + +entry( + index = 1467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(7.32551e-08,'m^3/(mol*s)'), n=4.22746, w0=(411,'kJ/mol'), E0=(85.2746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1565227638779085, var=54.95806299201091, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 15.255117270252224"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 15.255117270252224""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 15.255117270252224 +""", +) + +entry( + index = 1468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(3.62995e-07,'m^3/(mol*s)'), n=4.09627, w0=(411,'kJ/mol'), E0=(147.875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22841393886291575, var=225.70937875965149, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 30.692297107777833"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 30.692297107777833""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-7R!H->C_N-8R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 30.692297107777833 +""", +) + +entry( + index = 1469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.52475e-09,'m^3/(mol*s)'), n=4.56703, w0=(411,'kJ/mol'), E0=(89.2307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06995733663837735, var=29.164990271645244, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.002267893188765"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.002267893188765""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.002267893188765 +""", +) + +entry( + index = 1470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(9.77243e-09,'m^3/(mol*s)'), n=4.30327, w0=(411,'kJ/mol'), E0=(62.677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10223985821251985, var=11.68614949190239, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 7.110073051392081"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 7.110073051392081""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 7.110073051392081 +""", +) + +entry( + index = 1471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S", + kinetics = ArrheniusBM(A=(2.2304e-09,'m^3/(mol*s)'), n=4.53574, w0=(411,'kJ/mol'), E0=(64.0524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12487153155574332, var=7.846591397794996, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S + Total Standard Deviation in ln(k): 5.929364931667847"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S +Total Standard Deviation in ln(k): 5.929364931667847""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S +Total Standard Deviation in ln(k): 5.929364931667847 +""", +) + +entry( + index = 1472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing", + kinetics = ArrheniusBM(A=(9.95451e-10,'m^3/(mol*s)'), n=4.51527, w0=(411,'kJ/mol'), E0=(60.8747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1400698614603427, var=19.01015868989524, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing + Total Standard Deviation in ln(k): 9.09270770503231"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 9.09270770503231""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 9.09270770503231 +""", +) + +entry( + index = 1473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.27649e-09,'m^3/(mol*s)'), n=4.34462, w0=(411,'kJ/mol'), E0=(59.0414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019119765844366508, var=65.55154693827389, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 16.27915861518928"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 16.27915861518928""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 16.27915861518928 +""", +) + +entry( + index = 1474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(8.80973e-09,'m^3/(mol*s)'), n=4.43387, w0=(411,'kJ/mol'), E0=(66.836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10614621611391513, var=6.941199056827601, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing + Total Standard Deviation in ln(k): 5.548405228976757"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 5.548405228976757""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 5.548405228976757 +""", +) + +entry( + index = 1475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.22542e-08,'m^3/(mol*s)'), n=4.40382, w0=(411,'kJ/mol'), E0=(73.8664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03149294217590598, var=12.493995054756455, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 7.165234153282966"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.165234153282966""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.165234153282966 +""", +) + +entry( + index = 1476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.64743e-08,'m^3/(mol*s)'), n=4.39076, w0=(411,'kJ/mol'), E0=(86.2217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3.84065e-09,'m^3/(mol*s)'), n=4.52892, w0=(411,'kJ/mol'), E0=(60.9208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17088720649120978, var=9.579784022663135, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 6.634265722285797"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.634265722285797""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.634265722285797 +""", +) + +entry( + index = 1478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(9.52731e-09,'m^3/(mol*s)'), n=4.39202, w0=(411,'kJ/mol'), E0=(60.9048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04609099400288772, var=39.165936234606406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 12.661978763877025"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.661978763877025""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.661978763877025 +""", +) + +entry( + index = 1479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S", + kinetics = ArrheniusBM(A=(3.78845e-08,'m^3/(mol*s)'), n=4.09008, w0=(411,'kJ/mol'), E0=(61.3989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08215908474819199, var=18.375666159013235, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S + Total Standard Deviation in ln(k): 8.800097148302248"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S +Total Standard Deviation in ln(k): 8.800097148302248""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S +Total Standard Deviation in ln(k): 8.800097148302248 +""", +) + +entry( + index = 1480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.22547e-09,'m^3/(mol*s)'), n=4.20247, w0=(411,'kJ/mol'), E0=(64.1089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019467200251899592, var=51.70520809489437, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 14.464227485706202"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 14.464227485706202""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 14.464227485706202 +""", +) + +entry( + index = 1481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(3.75978e-09,'m^3/(mol*s)'), n=4.14647, w0=(411,'kJ/mol'), E0=(62.939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16982994788174194, var=232.86358282477096, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 31.018701819703747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 31.018701819703747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 31.018701819703747 +""", +) + +entry( + index = 1482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.21989e-09,'m^3/(mol*s)'), n=4.48193, w0=(411,'kJ/mol'), E0=(56.048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18123052929849004, var=13.849412277615784, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 7.915934284785878"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.915934284785878""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 7.915934284785878 +""", +) + +entry( + index = 1483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(3.89735e-11,'m^3/(mol*s)'), n=4.93256, w0=(411,'kJ/mol'), E0=(51.8305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22769013605798372, var=26.15956649468296, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 10.825588721106756"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.825588721106756""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.825588721106756 +""", +) + +entry( + index = 1484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(3.17727e-09,'m^3/(mol*s)'), n=4.43514, w0=(411,'kJ/mol'), E0=(54.5577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07617247806273132, var=88.31211972050527, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 19.03079146532626"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 19.03079146532626""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 19.03079146532626 +""", +) + +entry( + index = 1485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.34029e-09,'m^3/(mol*s)'), n=4.58099, w0=(411,'kJ/mol'), E0=(58.2344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2522883490146097, var=40.3038865254821, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_6R!H-inRing + Total Standard Deviation in ln(k): 13.36101953076171"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 13.36101953076171""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 13.36101953076171 +""", +) + +entry( + index = 1486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(6.95995e-09,'m^3/(mol*s)'), n=4.40819, w0=(411,'kJ/mol'), E0=(54.1181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07427778444772141, var=74.76402298141704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 17.52080833969611"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 17.52080833969611""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-9R!H=5C_N-8R!H->S_N-Sp-7R!H=6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 17.52080833969611 +""", +) + +entry( + index = 1487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(7.38364e-09,'m^3/(mol*s)'), n=4.40335, w0=(411,'kJ/mol'), E0=(119.389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011482533035784275, var=27.03210689316229, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 10.425985851091466"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 10.425985851091466""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 10.425985851091466 +""", +) + +entry( + index = 1488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(3.3506e-08,'m^3/(mol*s)'), n=4.28623, w0=(411,'kJ/mol'), E0=(116.281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0071552357620244585, var=30.3531958303693, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 11.062812192401749"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.062812192401749""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.062812192401749 +""", +) + +entry( + index = 1489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S", + kinetics = ArrheniusBM(A=(2.12992e-08,'m^3/(mol*s)'), n=4.38365, w0=(411,'kJ/mol'), E0=(115.334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03944281150536865, var=28.670084011532747, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S + Total Standard Deviation in ln(k): 10.833346768412985"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S +Total Standard Deviation in ln(k): 10.833346768412985""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S +Total Standard Deviation in ln(k): 10.833346768412985 +""", +) + +entry( + index = 1490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(4.7148e-08,'m^3/(mol*s)'), n=4.26083, w0=(411,'kJ/mol'), E0=(112.852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.058238359399805484, var=95.14893599938671, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 19.701378741215503"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 19.701378741215503""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 19.701378741215503 +""", +) + +entry( + index = 1491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S", + kinetics = ArrheniusBM(A=(2.29809e-08,'m^3/(mol*s)'), n=4.2921, w0=(411,'kJ/mol'), E0=(116.331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04324937645641179, var=67.18630871723855, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S + Total Standard Deviation in ln(k): 16.540929879554223"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S +Total Standard Deviation in ln(k): 16.540929879554223""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S +Total Standard Deviation in ln(k): 16.540929879554223 +""", +) + +entry( + index = 1492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.57483e-08,'m^3/(mol*s)'), n=4.30395, w0=(411,'kJ/mol'), E0=(114.057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03947218118084089, var=221.62226379135896, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 29.943633415197983"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 29.943633415197983""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 29.943633415197983 +""", +) + +entry( + index = 1493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(3.07021e-09,'m^3/(mol*s)'), n=4.47463, w0=(411,'kJ/mol'), E0=(120.97,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00662990906587445, var=30.114707032665102, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 11.018016397532875"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.018016397532875""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.018016397532875 +""", +) + +entry( + index = 1494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S", + kinetics = ArrheniusBM(A=(4.60728e-09,'m^3/(mol*s)'), n=4.46994, w0=(411,'kJ/mol'), E0=(125.743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008563180185937255, var=29.875218790411083, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S + Total Standard Deviation in ln(k): 10.97904220547308"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S +Total Standard Deviation in ln(k): 10.97904220547308""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S +Total Standard Deviation in ln(k): 10.97904220547308 +""", +) + +entry( + index = 1495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(3.54166e-09,'m^3/(mol*s)'), n=4.43474, w0=(411,'kJ/mol'), E0=(127.14,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09422000900876969, var=51.06756276039808, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 14.562885703058406"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 14.562885703058406""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 14.562885703058406 +""", +) + +entry( + index = 1496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.12587e-08,'m^3/(mol*s)'), n=4.21343, w0=(411,'kJ/mol'), E0=(115.246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11333771052897369, var=157.44874520404588, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing + Total Standard Deviation in ln(k): 25.43989958037735"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing +Total Standard Deviation in ln(k): 25.43989958037735""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing +Total Standard Deviation in ln(k): 25.43989958037735 +""", +) + +entry( + index = 1497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.44143e-07,'m^3/(mol*s)'), n=4.12837, w0=(411,'kJ/mol'), E0=(157.521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.77436e-09,'m^3/(mol*s)'), n=4.57907, w0=(411,'kJ/mol'), E0=(122.387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1408141667933561, var=185.34722709491717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_6R!H-inRing + Total Standard Deviation in ln(k): 27.646726560168453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 27.646726560168453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 27.646726560168453 +""", +) + +entry( + index = 1499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(2.1381e-08,'m^3/(mol*s)'), n=4.39047, w0=(411,'kJ/mol'), E0=(127.214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028362211619711336, var=146.44688338458184, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_N-6R!H-inRing + Total Standard Deviation in ln(k): 24.33161151266936"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 24.33161151266936""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 24.33161151266936 +""", +) + +entry( + index = 1500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S", + kinetics = ArrheniusBM(A=(3.04062e-09,'m^3/(mol*s)'), n=4.43574, w0=(411,'kJ/mol'), E0=(117.179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015916187652397492, var=43.85109584379689, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S + Total Standard Deviation in ln(k): 13.315378170350742"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S +Total Standard Deviation in ln(k): 13.315378170350742""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S +Total Standard Deviation in ln(k): 13.315378170350742 +""", +) + +entry( + index = 1501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.93487e-09,'m^3/(mol*s)'), n=4.38063, w0=(411,'kJ/mol'), E0=(115.641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025856714164425424, var=85.94947779824058, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 18.650653261187202"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 18.650653261187202""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 18.650653261187202 +""", +) + +entry( + index = 1502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(4.03815e-10,'m^3/(mol*s)'), n=4.65924, w0=(411,'kJ/mol'), E0=(116.004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1732132056772402, var=219.69201225156547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing + Total Standard Deviation in ln(k): 30.14941457528994"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing +Total Standard Deviation in ln(k): 30.14941457528994""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_6R!H-inRing +Total Standard Deviation in ln(k): 30.14941457528994 +""", +) + +entry( + index = 1503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.8617e-08,'m^3/(mol*s)'), n=4.01527, w0=(411,'kJ/mol'), E0=(116.027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2325945405926177, var=355.641005320602, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 38.39059764644424"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 38.39059764644424""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 38.39059764644424 +""", +) + +entry( + index = 1504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_6R!H-inRing", + kinetics = ArrheniusBM(A=(6.61974e-09,'m^3/(mol*s)'), n=4.4498, w0=(411,'kJ/mol'), E0=(118.447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08642363471498717, var=133.83946559523685, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_6R!H-inRing + Total Standard Deviation in ln(k): 23.409726040663998"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 23.409726040663998""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 23.409726040663998 +""", +) + +entry( + index = 1505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(9.25876e-09,'m^3/(mol*s)'), n=4.40902, w0=(411,'kJ/mol'), E0=(120.043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0182429720996131, var=210.686618984149, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_N-6R!H-inRing + Total Standard Deviation in ln(k): 29.144662526393436"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 29.144662526393436""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-9R!H=5C_N-Sp-7R!H#6R!H_N-8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 29.144662526393436 +""", +) + +entry( + index = 1506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S", + kinetics = ArrheniusBM(A=(2.19629e-09,'m^3/(mol*s)'), n=4.5379, w0=(411,'kJ/mol'), E0=(76.2085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10124728583487144, var=10.462342202507259, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S + Total Standard Deviation in ln(k): 6.7388148419738085"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S +Total Standard Deviation in ln(k): 6.7388148419738085""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S +Total Standard Deviation in ln(k): 6.7388148419738085 +""", +) + +entry( + index = 1507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(5.04884e-09,'m^3/(mol*s)'), n=4.49694, w0=(411,'kJ/mol'), E0=(70.2088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12881317943976867, var=9.78096416362645, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 6.593366544437245"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 6.593366544437245""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 6.593366544437245 +""", +) + +entry( + index = 1508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(8.40892e-09,'m^3/(mol*s)'), n=4.39702, w0=(411,'kJ/mol'), E0=(67.1106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03738879241750356, var=32.900360783584276, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 11.592868761629852"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.592868761629852""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.592868761629852 +""", +) + +entry( + index = 1509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(6.58781e-10,'m^3/(mol*s)'), n=4.65195, w0=(411,'kJ/mol'), E0=(78.8236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09414149239065889, var=13.525131179963996, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 7.609256273301361"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 7.609256273301361""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 7.609256273301361 +""", +) + +entry( + index = 1510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.91541e-10,'m^3/(mol*s)'), n=4.72846, w0=(411,'kJ/mol'), E0=(76.9735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04909522964998902, var=21.651733070426058, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 9.451672395573423"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 9.451672395573423""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 9.451672395573423 +""", +) + +entry( + index = 1511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(2.00828e-09,'m^3/(mol*s)'), n=4.34962, w0=(411,'kJ/mol'), E0=(69.9512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008869595372536397, var=72.7192806847207, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_6R!H-inRing + Total Standard Deviation in ln(k): 17.11778420504899"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_6R!H-inRing +Total Standard Deviation in ln(k): 17.11778420504899""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_6R!H-inRing +Total Standard Deviation in ln(k): 17.11778420504899 +""", +) + +entry( + index = 1512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.07001e-08,'m^3/(mol*s)'), n=4.40076, w0=(411,'kJ/mol'), E0=(100.71,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_Ext-1BrCClHINOPSSi-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.87247e-10,'m^3/(mol*s)'), n=4.71526, w0=(411,'kJ/mol'), E0=(77.7083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23087637247655407, var=89.38125962890993, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_6R!H-inRing + Total Standard Deviation in ln(k): 19.533190112531013"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 19.533190112531013""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 19.533190112531013 +""", +) + +entry( + index = 1514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(4.67652e-09,'m^3/(mol*s)'), n=4.52666, w0=(411,'kJ/mol'), E0=(82.259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06831686821094475, var=63.13872055020815, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 16.101250692104866"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 16.101250692104866""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_8R!H->S_N-Sp-7R!H#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 16.101250692104866 +""", +) + +entry( + index = 1515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S", + kinetics = ArrheniusBM(A=(4.95895e-10,'m^3/(mol*s)'), n=4.61106, w0=(411,'kJ/mol'), E0=(72.546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10758512250411487, var=19.567128895589022, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S + Total Standard Deviation in ln(k): 9.138209380626899"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S +Total Standard Deviation in ln(k): 9.138209380626899""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S +Total Standard Deviation in ln(k): 9.138209380626899 +""", +) + +entry( + index = 1516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.80687e-10,'m^3/(mol*s)'), n=4.74242, w0=(411,'kJ/mol'), E0=(73.4482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23466541442486966, var=23.955994522916857, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing + Total Standard Deviation in ln(k): 10.401759634114619"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 10.401759634114619""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 10.401759634114619 +""", +) + +entry( + index = 1517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(6.10655e-11,'m^3/(mol*s)'), n=4.79543, w0=(411,'kJ/mol'), E0=(72.3934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26784661720214403, var=107.6717098963976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 21.475110889488118"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 21.475110889488118""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_6R!H-inRing_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 21.475110889488118 +""", +) + +entry( + index = 1518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(5.47206e-10,'m^3/(mol*s)'), n=4.59594, w0=(411,'kJ/mol'), E0=(71.6499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04904479263455703, var=26.187629534018672, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing + Total Standard Deviation in ln(k): 10.382229394166533"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 10.382229394166533""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 10.382229394166533 +""", +) + +entry( + index = 1519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(7.79102e-10,'m^3/(mol*s)'), n=4.47718, w0=(411,'kJ/mol'), E0=(73.0692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009372259254825058, var=47.813322867926146, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 13.885725803077365"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.885725803077365""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.885725803077365 +""", +) + +entry( + index = 1520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.81162e-09,'m^3/(mol*s)'), n=4.15147, w0=(411,'kJ/mol'), E0=(71.9597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11875224947477742, var=207.5939972028046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 29.182841285815883"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 29.182841285815883""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 29.182841285815883 +""", +) + +entry( + index = 1521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3.40259e-09,'m^3/(mol*s)'), n=4.44334, w0=(411,'kJ/mol'), E0=(72.6004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07187760935741772, var=33.11144476273594, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.716352833503551"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.716352833503551""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.716352833503551 +""", +) + +entry( + index = 1522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.3769e-09,'m^3/(mol*s)'), n=4.44014, w0=(411,'kJ/mol'), E0=(69.8719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.059645208460592875, var=110.59068768469093, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 21.232078823235856"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 21.232078823235856""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_5R!H->C_N-8R!H->S_N-6R!H-inRing_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 21.232078823235856 +""", +) + +entry( + index = 1523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(9.80597e-09,'m^3/(mol*s)'), n=4.26752, w0=(411,'kJ/mol'), E0=(73.3118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.049237348903081055, var=29.254807208321427, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C + Total Standard Deviation in ln(k): 10.966865525739284"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C +Total Standard Deviation in ln(k): 10.966865525739284""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C +Total Standard Deviation in ln(k): 10.966865525739284 +""", +) + +entry( + index = 1524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S", + kinetics = ArrheniusBM(A=(4.25586e-16,'m^3/(mol*s)'), n=6.31318, w0=(411,'kJ/mol'), E0=(71.64,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2715496450532597, var=28.99301673519875, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S + Total Standard Deviation in ln(k): 11.476814418638211"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S +Total Standard Deviation in ln(k): 11.476814418638211""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S +Total Standard Deviation in ln(k): 11.476814418638211 +""", +) + +entry( + index = 1525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(6.43351e-12,'m^3/(mol*s)'), n=5.13229, w0=(411,'kJ/mol'), E0=(94.4506,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002843704018794792, var=36.478393152540214, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 12.115212648717483"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 12.115212648717483""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 12.115212648717483 +""", +) + +entry( + index = 1526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(9.72406e-10,'m^3/(mol*s)'), n=4.56598, w0=(411,'kJ/mol'), E0=(96.4472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028472934699726553, var=48.47470600041481, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 14.029263231971294"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 14.029263231971294""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 14.029263231971294 +""", +) + +entry( + index = 1527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.73251e-08,'m^3/(mol*s)'), n=4.12825, w0=(411,'kJ/mol'), E0=(118.294,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.16795e-09,'m^3/(mol*s)'), n=4.25642, w0=(411,'kJ/mol'), E0=(104.632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14901358772887463, var=65.77093222352728, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 16.632663143270722"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 16.632663143270722""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 16.632663143270722 +""", +) + +entry( + index = 1529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.74977e-09,'m^3/(mol*s)'), n=4.31303, w0=(411,'kJ/mol'), E0=(103.366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09809526955467304, var=198.82742984405687, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 28.514474176427427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 28.514474176427427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Sp-7R!H=6R!H_N-7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 28.514474176427427 +""", +) + +entry( + index = 1530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(5.75459e-09,'m^3/(mol*s)'), n=4.34633, w0=(411,'kJ/mol'), E0=(76.6013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03503347005595172, var=28.828773322453703, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing + Total Standard Deviation in ln(k): 10.851934122144927"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 10.851934122144927""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 10.851934122144927 +""", +) + +entry( + index = 1531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(9.28524e-09,'m^3/(mol*s)'), n=4.26077, w0=(411,'kJ/mol'), E0=(72.9276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05217288151631733, var=100.08866913226278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 20.187324352594324"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 20.187324352594324""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_N-6R!H-inRing_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 20.187324352594324 +""", +) + +entry( + index = 1532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.21349e-09,'m^3/(mol*s)'), n=4.21337, w0=(411,'kJ/mol'), E0=(75.5914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.105052601358786, var=163.74700544235628, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 25.917276816228146"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 25.917276816228146""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_8R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 25.917276816228146 +""", +) + +entry( + index = 1533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S", + kinetics = ArrheniusBM(A=(0.0167721,'m^3/(mol*s)'), n=2.51845, w0=(411,'kJ/mol'), E0=(79.2665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2199037978975342, var=28.041455935689566, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S + Total Standard Deviation in ln(k): 11.168433103176152"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S +Total Standard Deviation in ln(k): 11.168433103176152""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S +Total Standard Deviation in ln(k): 11.168433103176152 +""", +) + +entry( + index = 1534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_1BrCClHINOPSSi-inRing", + kinetics = ArrheniusBM(A=(0.000229489,'m^3/(mol*s)'), n=3.29865, w0=(411,'kJ/mol'), E0=(21.2417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2812740776808774, var=28.492946814810818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_1BrCClHINOPSSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_1BrCClHINOPSSi-inRing + Total Standard Deviation in ln(k): 11.407751043576276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_1BrCClHINOPSSi-inRing +Total Standard Deviation in ln(k): 11.407751043576276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_1BrCClHINOPSSi-inRing +Total Standard Deviation in ln(k): 11.407751043576276 +""", +) + +entry( + index = 1535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing", + kinetics = ArrheniusBM(A=(2.3728e-08,'m^3/(mol*s)'), n=4.17385, w0=(411,'kJ/mol'), E0=(67.8141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05960073031067445, var=26.258475638635357, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing + Total Standard Deviation in ln(k): 10.422619455099964"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing +Total Standard Deviation in ln(k): 10.422619455099964""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing +Total Standard Deviation in ln(k): 10.422619455099964 +""", +) + +entry( + index = 1536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R", + kinetics = ArrheniusBM(A=(2.87614e-21,'m^3/(mol*s)'), n=7.88007, w0=(411,'kJ/mol'), E0=(9.28637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3372862138802723, var=23.88159723794759, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R + Total Standard Deviation in ln(k): 10.644352780063063"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R +Total Standard Deviation in ln(k): 10.644352780063063""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R +Total Standard Deviation in ln(k): 10.644352780063063 +""", +) + +entry( + index = 1537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(6.96331e-10,'m^3/(mol*s)'), n=4.67294, w0=(411,'kJ/mol'), E0=(35.2837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15190760841424206, var=5.8439280814230035, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.227967655178693"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.227967655178693""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.227967655178693 +""", +) + +entry( + index = 1538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(9.13164e-09,'m^3/(mol*s)'), n=4.24481, w0=(411,'kJ/mol'), E0=(34.9202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05544418706838263, var=29.99250629800124, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 11.118321758434877"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.118321758434877""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_N-Sp-7R!H=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 11.118321758434877 +""", +) + +entry( + index = 1539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(4.3177e-09,'m^3/(mol*s)'), n=4.26935, w0=(411,'kJ/mol'), E0=(42.2641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11304187331728295, var=36.11397098954455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 12.331460362608102"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.331460362608102""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_Ext-8C-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.331460362608102 +""", +) + +entry( + index = 1540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C", + kinetics = ArrheniusBM(A=(3.4286e-09,'m^3/(mol*s)'), n=4.41832, w0=(411,'kJ/mol'), E0=(80.7174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00011511152986614565, var=33.59345523935614, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C + Total Standard Deviation in ln(k): 11.619705931344363"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C +Total Standard Deviation in ln(k): 11.619705931344363""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C +Total Standard Deviation in ln(k): 11.619705931344363 +""", +) + +entry( + index = 1541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(5.26194e-09,'m^3/(mol*s)'), n=4.28733, w0=(411,'kJ/mol'), E0=(81.2585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09653442369280771, var=77.04855865114446, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 17.83957371260008"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 17.83957371260008""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 17.83957371260008 +""", +) + +entry( + index = 1542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.34076e-08,'m^3/(mol*s)'), n=4.01521, w0=(411,'kJ/mol'), E0=(79.0982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21734719231115218, var=330.48396452073916, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 36.990614335590244"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 36.990614335590244""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 36.990614335590244 +""", +) + +entry( + index = 1543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(2.0271e-08,'m^3/(mol*s)'), n=4.2692, w0=(411,'kJ/mol'), E0=(80.6276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03754873308944871, var=58.95194227028213, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 15.4867331920126"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 15.4867331920126""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 15.4867331920126 +""", +) + +entry( + index = 1544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.13466e-08,'m^3/(mol*s)'), n=4.30389, w0=(411,'kJ/mol'), E0=(77.1829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03719431134938952, var=202.21919311613928, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 28.601546640542377"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 28.601546640542377""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_N-Sp-7C=6R!H_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 28.601546640542377 +""", +) + +entry( + index = 1545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.91118e-10,'m^3/(mol*s)'), n=4.65918, w0=(411,'kJ/mol'), E0=(79.5248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16778511521224435, var=198.52508194239024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 28.668073175227917"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 28.668073175227917""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 28.668073175227917 +""", +) + +entry( + index = 1546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.0871e-20,'m^3/(mol*s)'), n=7.68692, w0=(411,'kJ/mol'), E0=(12.0594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06826448634005983, var=16.44250521184263, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C + Total Standard Deviation in ln(k): 8.300591059733218"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 8.300591059733218""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 8.300591059733218 +""", +) + +entry( + index = 1547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.80208e-07,'m^3/(mol*s)'), n=3.90128, w0=(411,'kJ/mol'), E0=(48.878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3957266210826829, var=83.90025360376232, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 19.35707624271288"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 19.35707624271288""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-1BrCClHINOPSSi-R_N-5R!H->C_N-8R!H->S_N-1BrCClHINOPSSi-inRing_N-7R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 19.35707624271288 +""", +) + +entry( + index = 1548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(2.36437e-06,'m^3/(mol*s)'), n=3.6722, w0=(411,'kJ/mol'), E0=(93.2729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09282864789066006, var=29.606241347060998, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.141325659766506"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.141325659766506""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.141325659766506 +""", +) + +entry( + index = 1549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C", + kinetics = ArrheniusBM(A=(3.69972e-06,'m^3/(mol*s)'), n=3.63532, w0=(411,'kJ/mol'), E0=(100.033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10943202544246768, var=36.942174687987425, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C + Total Standard Deviation in ln(k): 12.459749594208365"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C +Total Standard Deviation in ln(k): 12.459749594208365""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C +Total Standard Deviation in ln(k): 12.459749594208365 +""", +) + +entry( + index = 1550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(2.84823e-05,'m^3/(mol*s)'), n=3.37953, w0=(411,'kJ/mol'), E0=(101.372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10451974057407024, var=40.4840033791828, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C + Total Standard Deviation in ln(k): 13.01814849646553"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 13.01814849646553""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 13.01814849646553 +""", +) + +entry( + index = 1551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(1.64429e-07,'m^3/(mol*s)'), n=3.94843, w0=(411,'kJ/mol'), E0=(98.0615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1601036474991118, var=48.478905711163996, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 14.360598281778273"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 14.360598281778273""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 14.360598281778273 +""", +) + +entry( + index = 1552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.5882e-06,'m^3/(mol*s)'), n=3.6104, w0=(411,'kJ/mol'), E0=(103.787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12191967014571534, var=80.2588142435537, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R + Total Standard Deviation in ln(k): 18.266207868114616"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R +Total Standard Deviation in ln(k): 18.266207868114616""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R +Total Standard Deviation in ln(k): 18.266207868114616 +""", +) + +entry( + index = 1553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(2.90022e-10,'m^3/(mol*s)'), n=4.70842, w0=(411,'kJ/mol'), E0=(60.3014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32330032087506094, var=61.698191009830246, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 16.55914475055148"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 16.55914475055148""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 16.55914475055148 +""", +) + +entry( + index = 1554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.43469e-09,'m^3/(mol*s)'), n=4.57723, w0=(411,'kJ/mol'), E0=(128.734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14369204786833709, var=251.69810926328267, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 32.16614998664005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 32.16614998664005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 32.16614998664005 +""", +) + +entry( + index = 1555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(0.00199409,'m^3/(mol*s)'), n=2.92334, w0=(411,'kJ/mol'), E0=(103.711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0619725342910316, var=57.15872071553591, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 15.31218600200739"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 15.31218600200739""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 15.31218600200739 +""", +) + +entry( + index = 1556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.435754,'m^3/(mol*s)'), n=2.2579, w0=(411,'kJ/mol'), E0=(111.355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009710631440132603, var=93.20986867581722, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R + Total Standard Deviation in ln(k): 19.37916512458662"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R +Total Standard Deviation in ln(k): 19.37916512458662""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R +Total Standard Deviation in ln(k): 19.37916512458662 +""", +) + +entry( + index = 1557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.70373e-09,'m^3/(mol*s)'), n=4.63296, w0=(411,'kJ/mol'), E0=(52.8293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34821950767434773, var=59.66500771810105, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 16.360124138321744"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 16.360124138321744""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 16.360124138321744 +""", +) + +entry( + index = 1558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(8.43278e-09,'m^3/(mol*s)'), n=4.50176, w0=(411,'kJ/mol'), E0=(127.914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.130052802224927, var=298.75187120473686, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 34.97748929109792"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 34.97748929109792""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_5R!H->C_N-Sp-7C=6R!H_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 34.97748929109792 +""", +) + +entry( + index = 1559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.87472e-09,'m^3/(mol*s)'), n=4.58492, w0=(411,'kJ/mol'), E0=(94.4708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14116543293166448, var=66.43734318456325, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 16.695103357720658"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 16.695103357720658""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 16.695103357720658 +""", +) + +entry( + index = 1560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(1.11408e-09,'m^3/(mol*s)'), n=4.57717, w0=(411,'kJ/mol'), E0=(95.242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1410657551610143, var=199.75501400996245, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 28.688302465537227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 28.688302465537227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 28.688302465537227 +""", +) + +entry( + index = 1561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(6.55337e-09,'m^3/(mol*s)'), n=4.50171, w0=(411,'kJ/mol'), E0=(94.4836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1299800026376413, var=241.9367295569216, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 31.508864736947068"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 31.508864736947068""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_7R!H->C_N-5R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 31.508864736947068 +""", +) + +entry( + index = 1562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.48311e-07,'m^3/(mol*s)'), n=3.87285, w0=(411,'kJ/mol'), E0=(78.621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08144660559794176, var=22.9691093585256, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C + Total Standard Deviation in ln(k): 9.812552829644243"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 9.812552829644243""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 9.812552829644243 +""", +) + +entry( + index = 1563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(6.92387e-07,'m^3/(mol*s)'), n=3.821, w0=(411,'kJ/mol'), E0=(79.8561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10359374465606891, var=31.72879723079797, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C + Total Standard Deviation in ln(k): 11.552621844539733"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 11.552621844539733""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 11.552621844539733 +""", +) + +entry( + index = 1564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000254312,'m^3/(mol*s)'), n=3.09847, w0=(411,'kJ/mol'), E0=(93.6363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012680335033132468, var=55.99833560589544, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 15.033700817739335"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 15.033700817739335""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 15.033700817739335 +""", +) + +entry( + index = 1565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.07075e-09,'m^3/(mol*s)'), n=4.60467, w0=(411,'kJ/mol'), E0=(62.5381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24058472231519804, var=202.43728129993409, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 29.127946303170585"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 29.127946303170585""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 29.127946303170585 +""", +) + +entry( + index = 1566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(5.30836e-09,'m^3/(mol*s)'), n=4.47347, w0=(411,'kJ/mol'), E0=(98.7094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06992196099863617, var=114.0913911348867, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 21.58897472527106"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 21.58897472527106""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 21.58897472527106 +""", +) + +entry( + index = 1567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.24075e-09,'m^3/(mol*s)'), n=4.47341, w0=(411,'kJ/mol'), E0=(71.1371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06994102502254582, var=48.27831879017015, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 14.105152021775474"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 14.105152021775474""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 14.105152021775474 +""", +) + +entry( + index = 1568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000471104,'m^3/(mol*s)'), n=3.05421, w0=(411,'kJ/mol'), E0=(108.388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1897111180378982, var=59.072818683564364, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 15.884823115480144"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 15.884823115480144""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 15.884823115480144 +""", +) + +entry( + index = 1569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.08343e-09,'m^3/(mol*s)'), n=4.70358, w0=(411,'kJ/mol'), E0=(127.203,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2664216504777494, var=150.9457579699701, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 25.299573189993744"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 25.299573189993744""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 25.299573189993744 +""", +) + +entry( + index = 1570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.4482e-10,'m^3/(mol*s)'), n=4.83977, w0=(411,'kJ/mol'), E0=(84.4948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3713836213503234, var=58.237363827729816, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_5R!H->C + Total Standard Deviation in ln(k): 16.23194145284468"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_5R!H->C +Total Standard Deviation in ln(k): 16.23194145284468""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_5R!H->C +Total Standard Deviation in ln(k): 16.23194145284468 +""", +) + +entry( + index = 1571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(8.40878e-10,'m^3/(mol*s)'), n=4.70352, w0=(411,'kJ/mol'), E0=(93.7609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26485445967846616, var=111.3605999198016, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-5R!H->C + Total Standard Deviation in ln(k): 21.820937952525142"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-5R!H->C +Total Standard Deviation in ln(k): 21.820937952525142""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_Ext-6R!H-R_N-5R!H->C +Total Standard Deviation in ln(k): 21.820937952525142 +""", +) + +entry( + index = 1572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S", + kinetics = ArrheniusBM(A=(0.00856778,'m^3/(mol*s)'), n=1.80867, w0=(411,'kJ/mol'), E0=(103.345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.983587006957577, var=197.40379559327545, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S + Total Standard Deviation in ln(k): 35.663070034823456"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S +Total Standard Deviation in ln(k): 35.663070034823456""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S +Total Standard Deviation in ln(k): 35.663070034823456 +""", +) + +entry( + index = 1573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C", + kinetics = ArrheniusBM(A=(0.141126,'m^3/(mol*s)'), n=1.3406, w0=(411,'kJ/mol'), E0=(108.676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.230769682006317, var=253.06380227399825, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C + Total Standard Deviation in ln(k): 42.52135849352311"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C +Total Standard Deviation in ln(k): 42.52135849352311""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C +Total Standard Deviation in ln(k): 42.52135849352311 +""", +) + +entry( + index = 1574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(0.00244109,'m^3/(mol*s)'), n=1.64556, w0=(411,'kJ/mol'), E0=(106.29,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.541737399681772, var=350.82841025720603, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 53.98604417784422"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 53.98604417784422""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 53.98604417784422 +""", +) + +entry( + index = 1575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.28817,'m^3/(mol*s)'), n=1.99461, w0=(411,'kJ/mol'), E0=(84.5018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36400166387430694, var=23.71067163251337, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 10.676354834176577"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.676354834176577""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.676354834176577 +""", +) + +entry( + index = 1576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(741.809,'m^3/(mol*s)'), n=1.2187, w0=(411,'kJ/mol'), E0=(95.3351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46337307738738165, var=43.66447978146534, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R + Total Standard Deviation in ln(k): 14.411363719374501"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R +Total Standard Deviation in ln(k): 14.411363719374501""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R +Total Standard Deviation in ln(k): 14.411363719374501 +""", +) + +entry( + index = 1577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(2.10248e-08,'m^3/(mol*s)'), n=4.20683, w0=(411,'kJ/mol'), E0=(35.7701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26990078537701556, var=26.01100993838735, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-9R!H=5C + Total Standard Deviation in ln(k): 10.90249006558163"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 10.90249006558163""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-9R!H=5C +Total Standard Deviation in ln(k): 10.90249006558163 +""", +) + +entry( + index = 1578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-9R!H=5C", + kinetics = ArrheniusBM(A=(1.04035e-07,'m^3/(mol*s)'), n=4.07564, w0=(411,'kJ/mol'), E0=(100.082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23100152163072354, var=93.65273842563569, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-9R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-9R!H=5C + Total Standard Deviation in ln(k): 19.981098226689262"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 19.981098226689262""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-9R!H=5C +Total Standard Deviation in ln(k): 19.981098226689262 +""", +) + +entry( + index = 1579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(100.868,'m^3/(mol*s)'), n=1.42881, w0=(411,'kJ/mol'), E0=(101.319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20537272508054846, var=68.93535802825957, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R + Total Standard Deviation in ln(k): 17.16078987393437"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R +Total Standard Deviation in ln(k): 17.16078987393437""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R +Total Standard Deviation in ln(k): 17.16078987393437 +""", +) + +entry( + index = 1580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.56143e-09,'m^3/(mol*s)'), n=4.49209, w0=(411,'kJ/mol'), E0=(38.9545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14511743993550105, var=59.63627200346959, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 15.846088014170581"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 15.846088014170581""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 15.846088014170581 +""", +) + +entry( + index = 1581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(7.74105e-09,'m^3/(mol*s)'), n=4.36089, w0=(411,'kJ/mol'), E0=(107.732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008674491964854765, var=196.90518145447547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 28.152820528788915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 28.152820528788915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 28.152820528788915 +""", +) + +entry( + index = 1582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(484.197,'m^3/(mol*s)'), n=1.22537, w0=(411,'kJ/mol'), E0=(110.539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017083976877363738, var=76.62957739217124, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 17.59203894711034"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 17.59203894711034""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 17.59203894711034 +""", +) + +entry( + index = 1583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(1.81216e-10,'m^3/(mol*s)'), n=4.75193, w0=(411,'kJ/mol'), E0=(39.7409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.482290290782848, var=40.83883758803366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C + Total Standard Deviation in ln(k): 14.023098643107456"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 14.023098643107456""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 14.023098643107456 +""", +) + +entry( + index = 1584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(8.96804e-10,'m^3/(mol*s)'), n=4.62074, w0=(411,'kJ/mol'), E0=(116.234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22588082225547462, var=216.85983158928752, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + Total Standard Deviation in ln(k): 30.089592205202962"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 30.089592205202962""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 30.089592205202962 +""", +) + +entry( + index = 1585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.38672e-09,'m^3/(mol*s)'), n=4.41138, w0=(411,'kJ/mol'), E0=(73.9153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007843808393485743, var=29.759164267397093, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C + Total Standard Deviation in ln(k): 10.955930996221673"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C +Total Standard Deviation in ln(k): 10.955930996221673""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C +Total Standard Deviation in ln(k): 10.955930996221673 +""", +) + +entry( + index = 1586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(6.5909e-09,'m^3/(mol*s)'), n=4.22427, w0=(411,'kJ/mol'), E0=(69.5808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11081046816974259, var=34.52279784781808, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 12.057460578668481"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.057460578668481""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 12.057460578668481 +""", +) + +entry( + index = 1587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(2.48843e-08,'m^3/(mol*s)'), n=4.07558, w0=(411,'kJ/mol'), E0=(64.9735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23197630702030594, var=72.55808667796703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 17.659395856338005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 17.659395856338005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_6R!H->S_N-5R!H->C_Ext-1BrCClHINOPSSi-R_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 17.659395856338005 +""", +) + +entry( + index = 1588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S", + kinetics = ArrheniusBM(A=(0.250399,'m^3/(mol*s)'), n=2.24788, w0=(411,'kJ/mol'), E0=(92.6086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.640380067735406, var=19.8825778296942, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S + Total Standard Deviation in ln(k): 10.548085662811811"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S +Total Standard Deviation in ln(k): 10.548085662811811""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S +Total Standard Deviation in ln(k): 10.548085662811811 +""", +) + +entry( + index = 1589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(32.6766,'m^3/(mol*s)'), n=1.61368, w0=(411,'kJ/mol'), E0=(85.0129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4574382827581314, var=23.702085128596764, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 10.909352499301958"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.909352499301958""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 10.909352499301958 +""", +) + +entry( + index = 1590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C", + kinetics = ArrheniusBM(A=(2345.99,'m^3/(mol*s)'), n=1.07246, w0=(411,'kJ/mol'), E0=(89.3758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4927446939714367, var=27.376432003899215, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C + Total Standard Deviation in ln(k): 11.727325559773167"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C +Total Standard Deviation in ln(k): 11.727325559773167""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C +Total Standard Deviation in ln(k): 11.727325559773167 +""", +) + +entry( + index = 1591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.25223e+06,'m^3/(mol*s)'), n=0.108604, w0=(411,'kJ/mol'), E0=(101.496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6115391656416684, var=40.26414527915896, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 14.25738349643086"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 14.25738349643086""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 14.25738349643086 +""", +) + +entry( + index = 1592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.66563e-08,'m^3/(mol*s)'), n=4.25045, w0=(411,'kJ/mol'), E0=(17.8873,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3170376253811682, var=26.143739166241108, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 11.046977591385216"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 11.046977591385216""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 11.046977591385216 +""", +) + +entry( + index = 1593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.38366e-07,'m^3/(mol*s)'), n=4.01503, w0=(411,'kJ/mol'), E0=(23.6512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5612068919997701, var=80.43644684717943, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 19.389808446267054"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 19.389808446267054""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 19.389808446267054 +""", +) + +entry( + index = 1594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.40395e-07,'m^3/(mol*s)'), n=4.05308, w0=(411,'kJ/mol'), E0=(96.698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2743389001946775, var=51.75761960387758, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 15.11191290594147"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 15.11191290594147""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 15.11191290594147 +""", +) + +entry( + index = 1595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(6.85316e-07,'m^3/(mol*s)'), n=3.88384, w0=(411,'kJ/mol'), E0=(94.2859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38690059947900224, var=153.33276772007454, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 25.796267207490022"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 25.796267207490022""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-5C-R_N-Sp-8R!H=5C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 25.796267207490022 +""", +) + +entry( + index = 1596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(1.03053e-07,'m^3/(mol*s)'), n=4.02003, w0=(411,'kJ/mol'), E0=(52.9408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2699503070415473, var=53.201585761591105, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 15.300687914365724"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 15.300687914365724""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 15.300687914365724 +""", +) + +entry( + index = 1597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(8.21153e-08,'m^3/(mol*s)'), n=4.1059, w0=(411,'kJ/mol'), E0=(64.6233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27560203341330863, var=34.91523641488588, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C + Total Standard Deviation in ln(k): 12.538269794440692"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C +Total Standard Deviation in ln(k): 12.538269794440692""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C +Total Standard Deviation in ln(k): 12.538269794440692 +""", +) + +entry( + index = 1598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C_Ext-1BrCClHINOPSSi-R", + kinetics = ArrheniusBM(A=(6.02109e-07,'m^3/(mol*s)'), n=3.88378, w0=(411,'kJ/mol'), E0=(61.9703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39871928519913347, var=104.66199655669442, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C_Ext-1BrCClHINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C_Ext-1BrCClHINOPSSi-R + Total Standard Deviation in ln(k): 21.511138380821244"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 21.511138380821244""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_Ext-1BrCClHINOPSSi-R_N-5R!H->C_Ext-1BrCClHINOPSSi-R +Total Standard Deviation in ln(k): 21.511138380821244 +""", +) + +entry( + index = 1599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C", + kinetics = ArrheniusBM(A=(0.0206089,'m^3/(mol*s)'), n=2.57623, w0=(411,'kJ/mol'), E0=(99.2417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4997055672490003, var=27.228191124538853, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C + Total Standard Deviation in ln(k): 14.228940226693723"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C +Total Standard Deviation in ln(k): 14.228940226693723""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C +Total Standard Deviation in ln(k): 14.228940226693723 +""", +) + +entry( + index = 1600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.93661e+08,'m^3/(mol*s)'), n=-0.286043, w0=(411,'kJ/mol'), E0=(115.095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3402448922043844, var=76.84690483620571, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 18.428868753659366"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 18.428868753659366""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 18.428868753659366 +""", +) + +entry( + index = 1601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(2.44402e-08,'m^3/(mol*s)'), n=4.23513, w0=(411,'kJ/mol'), E0=(21.6978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11380277766936081, var=62.27068378803422, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C + Total Standard Deviation in ln(k): 16.10565714788193"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 16.10565714788193""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 16.10565714788193 +""", +) + +entry( + index = 1602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(1.26892e-08,'m^3/(mol*s)'), n=4.38488, w0=(411,'kJ/mol'), E0=(108.583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03596788027651788, var=214.92374397060644, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C + Total Standard Deviation in ln(k): 29.480344626263115"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 29.480344626263115""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_5R!H->C_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 29.480344626263115 +""", +) + +entry( + index = 1603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.19722e-08,'m^3/(mol*s)'), n=4.38482, w0=(411,'kJ/mol'), E0=(79.0338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.037271594319623576, var=132.38678678880194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_N-5R!H->C + Total Standard Deviation in ln(k): 23.160020194688858"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_N-5R!H->C +Total Standard Deviation in ln(k): 23.160020194688858""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_Ext-1BrCClHINOPSSi-R_N-Sp-6R!H=1BrBrCCClClHHIINNOOPPSSSiSi_N-6R!H->S_N-5R!H->C +Total Standard Deviation in ln(k): 23.160020194688858 +""", +) + +entry( + index = 1604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(4188.09,'m^3/(mol*s)'), n=1.11634, w0=(411,'kJ/mol'), E0=(114.574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03518881902758134, var=47.19216118296356, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 13.860252665271238"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 13.860252665271238""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 13.860252665271238 +""", +) + +entry( + index = 1605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C", + kinetics = ArrheniusBM(A=(902609,'m^3/(mol*s)'), n=0.440744, w0=(411,'kJ/mol'), E0=(117.801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.074584199569591, var=58.865383493384776, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C + Total Standard Deviation in ln(k): 15.568482700947477"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C +Total Standard Deviation in ln(k): 15.568482700947477""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C +Total Standard Deviation in ln(k): 15.568482700947477 +""", +) + +entry( + index = 1606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.542e+10,'m^3/(mol*s)'), n=-0.837564, w0=(411,'kJ/mol'), E0=(129.513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2305186951619015, var=99.1593058850219, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 20.542097167885867"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 20.542097167885867""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 20.542097167885867 +""", +) + +entry( + index = 1607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(1.33872e-07,'m^3/(mol*s)'), n=4.07913, w0=(411,'kJ/mol'), E0=(15.8898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3388499173080869, var=63.98800422719155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C + Total Standard Deviation in ln(k): 16.887759228838167"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 16.887759228838167""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 16.887759228838167 +""", +) + +entry( + index = 1608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(4.57531e-09,'m^3/(mol*s)'), n=4.5669, w0=(411,'kJ/mol'), E0=(120.607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2116252786276729, var=297.6633476010362, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + Total Standard Deviation in ln(k): 35.11926147315216"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 35.11926147315216""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 35.11926147315216 +""", +) + +entry( + index = 1609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(4.4922e-09,'m^3/(mol*s)'), n=4.56684, w0=(411,'kJ/mol'), E0=(92.5509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22027276246037203, var=182.85637766464262, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_N-5R!H->C + Total Standard Deviation in ln(k): 27.662358515341783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_N-5R!H->C +Total Standard Deviation in ln(k): 27.662358515341783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_1BrCClHINOPSSi->C_N-5R!H->C +Total Standard Deviation in ln(k): 27.662358515341783 +""", +) + +entry( + index = 1610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(3133.1,'m^3/(mol*s)'), n=1.17154, w0=(421.5,'kJ/mol'), E0=(68.22,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1457106977924458, var=32.24777229776215, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 11.750420831006506"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.750420831006506""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 11.750420831006506 +""", +) + +entry( + index = 1611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C", + kinetics = ArrheniusBM(A=(11378,'m^3/(mol*s)'), n=1.00397, w0=(421.5,'kJ/mol'), E0=(64.7562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11870650233007624, var=47.46857922279548, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C + Total Standard Deviation in ln(k): 14.11037000934037"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C +Total Standard Deviation in ln(k): 14.11037000934037""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C +Total Standard Deviation in ln(k): 14.11037000934037 +""", +) + +entry( + index = 1612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(22404.3,'m^3/(mol*s)'), n=0.916368, w0=(421.5,'kJ/mol'), E0=(61.3169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3844792476180498, var=106.52688640444904, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 21.657272453467755"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 21.657272453467755""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 21.657272453467755 +""", +) + +entry( + index = 1613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(0.16452,'m^3/(mol*s)'), n=2.35338, w0=(421.5,'kJ/mol'), E0=(18.2144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005676507449916488, var=51.28156423049673, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C + Total Standard Deviation in ln(k): 14.370400481604173"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 14.370400481604173""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 14.370400481604173 +""", +) + +entry( + index = 1614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(2.38815e-07,'m^3/(mol*s)'), n=4.09405, w0=(421.5,'kJ/mol'), E0=(40.1293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26085479380728216, var=561.4804065548117, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + Total Standard Deviation in ln(k): 48.15877001907249"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 48.15877001907249""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 48.15877001907249 +""", +) + +entry( + index = 1615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.34544e-07,'m^3/(mol*s)'), n=4.09399, w0=(421.5,'kJ/mol'), E0=(56.5278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003558580629112483, var=25.154840220056542, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_N-5R!H->C + Total Standard Deviation in ln(k): 10.063609990143513"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_N-5R!H->C +Total Standard Deviation in ln(k): 10.063609990143513""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_Ext-3C-R_N-1BrCClHINOPSSi->C_N-5R!H->C +Total Standard Deviation in ln(k): 10.063609990143513 +""", +) + +entry( + index = 1616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(6.12345e-24,'m^3/(mol*s)'), n=8.81714, w0=(411,'kJ/mol'), E0=(23.6918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39679546447348296, var=9.998235395487525, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 7.335943115880214"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 7.335943115880214""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 7.335943115880214 +""", +) + +entry( + index = 1617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.41489e-23,'m^3/(mol*s)'), n=8.71289, w0=(411,'kJ/mol'), E0=(26,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3650135593376223, var=9.483706575535344, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 7.090826913121239"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.090826913121239""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.090826913121239 +""", +) + +entry( + index = 1618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.859e-25,'m^3/(mol*s)'), n=9.18972, w0=(411,'kJ/mol'), E0=(16.5602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4303060814484651, var=8.404273695531495, Tref=1000.0, N=67, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.8929231836671265"""), + rank = 11, + shortDesc = """BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.8929231836671265""", + longDesc = +""" +BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.8929231836671265 +""", +) + +entry( + index = 1619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(4.6451e-25,'m^3/(mol*s)'), n=9.12723, w0=(411,'kJ/mol'), E0=(18.3469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43971219881834767, var=8.231138368919114, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 6.856381549864423"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 6.856381549864423""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 6.856381549864423 +""", +) + +entry( + index = 1620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(1.98349e-27,'m^3/(mol*s)'), n=9.79889, w0=(411,'kJ/mol'), E0=(11.2137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.503134916514041, var=6.500327460807786, Tref=1000.0, N=57, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C',), comment="""BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C + Total Standard Deviation in ln(k): 6.375378464464814"""), + rank = 11, + shortDesc = """BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 6.375378464464814""", + longDesc = +""" +BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 6.375378464464814 +""", +) + +entry( + index = 1621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.03459e-13,'m^3/(mol*s)'), n=5.77198, w0=(411,'kJ/mol'), E0=(64.687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09964455272195168, var=5.783798565793051, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R + Total Standard Deviation in ln(k): 5.071656683658503"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R +Total Standard Deviation in ln(k): 5.071656683658503""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R +Total Standard Deviation in ln(k): 5.071656683658503 +""", +) + +entry( + index = 1622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S", + kinetics = ArrheniusBM(A=(3.56497e-15,'m^3/(mol*s)'), n=6.32602, w0=(411,'kJ/mol'), E0=(68.3629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12939628266825756, var=3.8267747536908288, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S + Total Standard Deviation in ln(k): 4.246807901845463"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S +Total Standard Deviation in ln(k): 4.246807901845463""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S +Total Standard Deviation in ln(k): 4.246807901845463 +""", +) + +entry( + index = 1623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C", + kinetics = ArrheniusBM(A=(4.40475e-08,'m^3/(mol*s)'), n=4.3361, w0=(411,'kJ/mol'), E0=(75.4443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030699809365418013, var=0.36091661277313597, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C + Total Standard Deviation in ln(k): 1.2815065771699554"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C +Total Standard Deviation in ln(k): 1.2815065771699554""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C +Total Standard Deviation in ln(k): 1.2815065771699554 +""", +) + +entry( + index = 1624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.53519e-08,'m^3/(mol*s)'), n=4.26304, w0=(411,'kJ/mol'), E0=(72.2962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.048023179867513865, var=0.7180123228987427, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C_Ext-1C-R + Total Standard Deviation in ln(k): 1.8193857085289111"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C_Ext-1C-R +Total Standard Deviation in ln(k): 1.8193857085289111""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_Sp-7R!H#5C_Ext-1C-R +Total Standard Deviation in ln(k): 1.8193857085289111 +""", +) + +entry( + index = 1625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C", + kinetics = ArrheniusBM(A=(3.887e-13,'m^3/(mol*s)'), n=5.72696, w0=(411,'kJ/mol'), E0=(77.9764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0783811126236807, var=3.6094314843303255, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C + Total Standard Deviation in ln(k): 4.005634176957707"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C +Total Standard Deviation in ln(k): 4.005634176957707""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C +Total Standard Deviation in ln(k): 4.005634176957707 +""", +) + +entry( + index = 1626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing", + kinetics = ArrheniusBM(A=(3.11606e-13,'m^3/(mol*s)'), n=5.82539, w0=(411,'kJ/mol'), E0=(83.4731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055010869755533265, var=4.543880869919287, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing + Total Standard Deviation in ln(k): 4.411587880926727"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 4.411587880926727""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 4.411587880926727 +""", +) + +entry( + index = 1627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.53623e-13,'m^3/(mol*s)'), n=5.74812, w0=(411,'kJ/mol'), E0=(85.6253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.521705693971704, var=7.479673963669129, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.793566806707336"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.793566806707336""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.793566806707336 +""", +) + +entry( + index = 1628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(3.26991e-07,'m^3/(mol*s)'), n=4.13281, w0=(411,'kJ/mol'), E0=(95.1421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.5281e-08,'m^3/(mol*s)'), n=4.31531, w0=(411,'kJ/mol'), E0=(101.877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0936773890530929, var=10.547584677714136, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.746157505301275"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.746157505301275""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.746157505301275 +""", +) + +entry( + index = 1630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_7R!H->C", + kinetics = ArrheniusBM(A=(2.96775e-08,'m^3/(mol*s)'), n=4.39269, w0=(411,'kJ/mol'), E0=(87.0779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023559963522520672, var=10.685577546823385, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_7R!H->C + Total Standard Deviation in ln(k): 6.612434623019764"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_7R!H->C +Total Standard Deviation in ln(k): 6.612434623019764""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_7R!H->C +Total Standard Deviation in ln(k): 6.612434623019764 +""", +) + +entry( + index = 1631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.03972e-07,'m^3/(mol*s)'), n=4.09848, w0=(411,'kJ/mol'), E0=(106.69,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1966225602812356, var=38.241556815777486, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_N-7R!H->C + Total Standard Deviation in ln(k): 12.891259756965674"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 12.891259756965674""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_N-5C-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 12.891259756965674 +""", +) + +entry( + index = 1632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.56738e-08,'m^3/(mol*s)'), n=4.21565, w0=(411,'kJ/mol'), E0=(75.2074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09714802547683583, var=13.746099238126314, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_Ext-1C-R + Total Standard Deviation in ln(k): 7.67679261768031"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_Ext-1C-R +Total Standard Deviation in ln(k): 7.67679261768031""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_6R!H->S_N-Sp-7R!H#5C_Ext-1C-R +Total Standard Deviation in ln(k): 7.67679261768031 +""", +) + +entry( + index = 1633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(1.65557e-09,'m^3/(mol*s)'), n=4.61982, w0=(411,'kJ/mol'), E0=(69.7346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012063058433569727, var=7.4362524387517155, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S + Total Standard Deviation in ln(k): 5.49712009111402"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S +Total Standard Deviation in ln(k): 5.49712009111402""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S +Total Standard Deviation in ln(k): 5.49712009111402 +""", +) + +entry( + index = 1634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R", + kinetics = ArrheniusBM(A=(9.30265e-24,'m^3/(mol*s)'), n=8.6998, w0=(411,'kJ/mol'), E0=(4.21442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4147445344181865, var=6.521484698975426, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R + Total Standard Deviation in ln(k): 6.161603309122365"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R +Total Standard Deviation in ln(k): 6.161603309122365""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R +Total Standard Deviation in ln(k): 6.161603309122365 +""", +) + +entry( + index = 1635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(1.12008e-10,'m^3/(mol*s)'), n=4.8975, w0=(411,'kJ/mol'), E0=(72.7149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04264837976316419, var=13.877217407594873, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C + Total Standard Deviation in ln(k): 7.575223388148599"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 7.575223388148599""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 7.575223388148599 +""", +) + +entry( + index = 1636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.01293e-08,'m^3/(mol*s)'), n=4.27163, w0=(411,'kJ/mol'), E0=(65.7382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11878459311041611, var=14.948380998861175, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C_Ext-1C-R + Total Standard Deviation in ln(k): 8.049388283333897"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C_Ext-1C-R +Total Standard Deviation in ln(k): 8.049388283333897""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_Sp-7R!H=5C_Ext-1C-R +Total Standard Deviation in ln(k): 8.049388283333897 +""", +) + +entry( + index = 1637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(1.30721e-09,'m^3/(mol*s)'), n=4.70078, w0=(411,'kJ/mol'), E0=(54.8746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06581512862760562, var=3.118154294068574, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C + Total Standard Deviation in ln(k): 3.705385251501025"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 3.705385251501025""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 3.705385251501025 +""", +) + +entry( + index = 1638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.14268e-08,'m^3/(mol*s)'), n=4.24708, w0=(411,'kJ/mol'), E0=(57.4791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05647766065392965, var=8.43915296766464, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C_Ext-1C-R + Total Standard Deviation in ln(k): 5.965703224770567"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C_Ext-1C-R +Total Standard Deviation in ln(k): 5.965703224770567""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_Ext-6C-R_N-Sp-7R!H=5C_Ext-1C-R +Total Standard Deviation in ln(k): 5.965703224770567 +""", +) + +entry( + index = 1639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C", + kinetics = ArrheniusBM(A=(3.77377e-09,'m^3/(mol*s)'), n=4.48799, w0=(411,'kJ/mol'), E0=(76.6947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008523406296039203, var=7.608827275514896, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C + Total Standard Deviation in ln(k): 5.551297440852254"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C +Total Standard Deviation in ln(k): 5.551297440852254""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C +Total Standard Deviation in ln(k): 5.551297440852254 +""", +) + +entry( + index = 1640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C", + kinetics = ArrheniusBM(A=(5.49073e-09,'m^3/(mol*s)'), n=4.36361, w0=(411,'kJ/mol'), E0=(76.9173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07958681938518765, var=21.306248164617045, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C + Total Standard Deviation in ln(k): 9.45356171413695"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 9.45356171413695""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C +Total Standard Deviation in ln(k): 9.45356171413695 +""", +) + +entry( + index = 1641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.58208e-08,'m^3/(mol*s)'), n=4.01749, w0=(411,'kJ/mol'), E0=(76.1146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20010782813369102, var=99.02007396352396, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C_Ext-1C-R + Total Standard Deviation in ln(k): 20.45166783838701"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C_Ext-1C-R +Total Standard Deviation in ln(k): 20.45166783838701""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Sp-7C=5C_Ext-1C-R +Total Standard Deviation in ln(k): 20.45166783838701 +""", +) + +entry( + index = 1642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(4.05583e-08,'m^3/(mol*s)'), n=4.26446, w0=(411,'kJ/mol'), E0=(77.2771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.036521956712906097, var=11.384425791546764, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C + Total Standard Deviation in ln(k): 6.855903194759265"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 6.855903194759265""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C +Total Standard Deviation in ln(k): 6.855903194759265 +""", +) + +entry( + index = 1643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.18416e-08,'m^3/(mol*s)'), n=4.30616, w0=(411,'kJ/mol'), E0=(74.0868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03296080705253376, var=36.657412265405675, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C_Ext-1C-R + Total Standard Deviation in ln(k): 12.220557802924462"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C_Ext-1C-R +Total Standard Deviation in ln(k): 12.220557802924462""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_N-Sp-7C=5C_Ext-1C-R +Total Standard Deviation in ln(k): 12.220557802924462 +""", +) + +entry( + index = 1644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.61091e-10,'m^3/(mol*s)'), n=4.66145, w0=(411,'kJ/mol'), E0=(76.9562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1566653878129271, var=35.04830309249026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 12.261985510884388"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.261985510884388""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.261985510884388 +""", +) + +entry( + index = 1645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.24993e-08,'m^3/(mol*s)'), n=4.34318, w0=(411,'kJ/mol'), E0=(63.02,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.44713702008524764, var=12.758682811144526, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C + Total Standard Deviation in ln(k): 8.284232901910872"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C +Total Standard Deviation in ln(k): 8.284232901910872""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C +Total Standard Deviation in ln(k): 8.284232901910872 +""", +) + +entry( + index = 1646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.78911e-06,'m^3/(mol*s)'), n=3.90356, w0=(411,'kJ/mol'), E0=(69.99,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3026798000592353, var=46.68593505833426, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 14.45827675793084"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.45827675793084""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-5C-R_N-6R!H->S_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.45827675793084 +""", +) + +entry( + index = 1647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.85472e-07,'m^3/(mol*s)'), n=4.06808, w0=(411,'kJ/mol'), E0=(58.5002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27442242802162153, var=2.6190600806418467, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.933868680447426"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.933868680447426""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.933868680447426 +""", +) + +entry( + index = 1648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_6R!H->S", + kinetics = ArrheniusBM(A=(1.44586e-07,'m^3/(mol*s)'), n=4.07786, w0=(411,'kJ/mol'), E0=(61.8446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20776317223719054, var=0.6967197981874672, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_6R!H->S + Total Standard Deviation in ln(k): 2.1953652358735494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 2.1953652358735494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 2.1953652358735494 +""", +) + +entry( + index = 1649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(9.49726e-07,'m^3/(mol*s)'), n=3.88605, w0=(411,'kJ/mol'), E0=(56.6531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3572875793142494, var=12.524671030861013, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_N-6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_N-6R!H->S + Total Standard Deviation in ln(k): 7.992507418427947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 7.992507418427947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 7.992507418427947 +""", +) + +entry( + index = 1650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C", + kinetics = ArrheniusBM(A=(1.86178e-08,'m^3/(mol*s)'), n=4.30703, w0=(411,'kJ/mol'), E0=(65.5016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07072506451153664, var=8.456616220264756, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C + Total Standard Deviation in ln(k): 6.007523241215585"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C +Total Standard Deviation in ln(k): 6.007523241215585""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C +Total Standard Deviation in ln(k): 6.007523241215585 +""", +) + +entry( + index = 1651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_6R!H->C", + kinetics = ArrheniusBM(A=(7.48814e-08,'m^3/(mol*s)'), n=4.14614, w0=(411,'kJ/mol'), E0=(62.3135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16058318125674864, var=24.43095830063119, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_6R!H->C + Total Standard Deviation in ln(k): 10.312416286395543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_6R!H->C +Total Standard Deviation in ln(k): 10.312416286395543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_6R!H->C +Total Standard Deviation in ln(k): 10.312416286395543 +""", +) + +entry( + index = 1652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.0748e-08,'m^3/(mol*s)'), n=4.36311, w0=(411,'kJ/mol'), E0=(69.6021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009646840863361586, var=26.99130631524847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_N-6R!H->C + Total Standard Deviation in ln(k): 10.439470126352253"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_N-6R!H->C +Total Standard Deviation in ln(k): 10.439470126352253""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_Sp-5C-1C_N-6R!H->C +Total Standard Deviation in ln(k): 10.439470126352253 +""", +) + +entry( + index = 1653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C", + kinetics = ArrheniusBM(A=(5.75457e-08,'m^3/(mol*s)'), n=4.29748, w0=(411,'kJ/mol'), E0=(47.0563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04558889031423284, var=3.487502133108645, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C + Total Standard Deviation in ln(k): 3.85835866059692"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C +Total Standard Deviation in ln(k): 3.85835866059692""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C +Total Standard Deviation in ln(k): 3.85835866059692 +""", +) + +entry( + index = 1654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.08979e-09,'m^3/(mol*s)'), n=4.79049, w0=(411,'kJ/mol'), E0=(48.1927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24470398975595772, var=6.315265035258118, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.652771700320954"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.652771700320954""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.652771700320954 +""", +) + +entry( + index = 1655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(7.23446e-07,'m^3/(mol*s)'), n=4.01217, w0=(411,'kJ/mol'), E0=(63.0151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11106474910279598, var=5.020425369001549, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 4.770927865665757"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.770927865665757""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.770927865665757 +""", +) + +entry( + index = 1656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(1.01542e-07,'m^3/(mol*s)'), n=4.2106, w0=(411,'kJ/mol'), E0=(60.131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10030610023365237, var=2.161179071849027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 3.199176229357476"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 3.199176229357476""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 3.199176229357476 +""", +) + +entry( + index = 1657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.77014e-07,'m^3/(mol*s)'), n=4.23324, w0=(411,'kJ/mol'), E0=(62.2447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09221239696620968, var=29.143222741930817, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 11.05414415411734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.05414415411734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.05414415411734 +""", +) + +entry( + index = 1658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(7.59043e-09,'m^3/(mol*s)'), n=4.4885, w0=(411,'kJ/mol'), E0=(35.2067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15494635821570119, var=5.421421654916467, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.057126890474766"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.057126890474766""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.057126890474766 +""", +) + +entry( + index = 1659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_6R!H->C", + kinetics = ArrheniusBM(A=(3.06242e-08,'m^3/(mol*s)'), n=4.341, w0=(411,'kJ/mol'), E0=(33.4537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0009754718333322614, var=1.6120196400549969, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_6R!H->C + Total Standard Deviation in ln(k): 2.5477695497270587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_6R!H->C +Total Standard Deviation in ln(k): 2.5477695497270587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_6R!H->C +Total Standard Deviation in ln(k): 2.5477695497270587 +""", +) + +entry( + index = 1660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.9776e-09,'m^3/(mol*s)'), n=4.70263, w0=(411,'kJ/mol'), E0=(39.416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3338677643704991, var=4.078226976474819, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_N-6R!H->C + Total Standard Deviation in ln(k): 4.887350141199153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_N-6R!H->C +Total Standard Deviation in ln(k): 4.887350141199153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_Sp-6R!H-1C_N-Sp-5C-1C_N-6R!H->C +Total Standard Deviation in ln(k): 4.887350141199153 +""", +) + +entry( + index = 1661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(0.000478095,'m^3/(mol*s)'), n=3.15858, w0=(411,'kJ/mol'), E0=(54.9801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16990372766056078, var=12.085227115654256, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 7.396117372384373"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 7.396117372384373""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 7.396117372384373 +""", +) + +entry( + index = 1662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_1C-inRing", + kinetics = ArrheniusBM(A=(1.95574e-07,'m^3/(mol*s)'), n=4.22389, w0=(411,'kJ/mol'), E0=(20.0171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23088990814374896, var=56.64801656431984, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_1C-inRing + Total Standard Deviation in ln(k): 15.668739228003327"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_1C-inRing +Total Standard Deviation in ln(k): 15.668739228003327""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_1C-inRing +Total Standard Deviation in ln(k): 15.668739228003327 +""", +) + +entry( + index = 1663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing", + kinetics = ArrheniusBM(A=(5.19326e-11,'m^3/(mol*s)'), n=5.12236, w0=(411,'kJ/mol'), E0=(43.1542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34154711584739217, var=13.016755303730733, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing + Total Standard Deviation in ln(k): 8.090990285134248"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing +Total Standard Deviation in ln(k): 8.090990285134248""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing +Total Standard Deviation in ln(k): 8.090990285134248 +""", +) + +entry( + index = 1664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.31659e-06,'m^3/(mol*s)'), n=3.66187, w0=(411,'kJ/mol'), E0=(61.3646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.370377232868906, var=19.73220953164476, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R + Total Standard Deviation in ln(k): 9.835820074196981"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 9.835820074196981""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 9.835820074196981 +""", +) + +entry( + index = 1665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(5.47828e-08,'m^3/(mol*s)'), n=4.21102, w0=(411,'kJ/mol'), E0=(50.9726,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06357775879159795, var=73.78934642185094, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_Sp-7R!H=5C + Total Standard Deviation in ln(k): 17.38056287177255"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 17.38056287177255""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_Sp-7R!H=5C +Total Standard Deviation in ln(k): 17.38056287177255 +""", +) + +entry( + index = 1666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_N-Sp-7R!H=5C", + kinetics = ArrheniusBM(A=(3.72471e-08,'m^3/(mol*s)'), n=4.34222, w0=(411,'kJ/mol'), E0=(59.8188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0015975603266107684, var=1.480211749537651, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_N-Sp-7R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_N-Sp-7R!H=5C + Total Standard Deviation in ln(k): 2.4430539159538878"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 2.4430539159538878""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_5R!H->C_N-Sp-6R!H-1C_N-1C-inRing_Ext-5C-R_N-Sp-7R!H=5C +Total Standard Deviation in ln(k): 2.4430539159538878 +""", +) + +entry( + index = 1667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.6439e-08,'m^3/(mol*s)'), n=4.34228, w0=(411,'kJ/mol'), E0=(45.8128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0015504398621750814, var=4.638810387994478, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 4.321673485607199"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.321673485607199""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.321673485607199 +""", +) + +entry( + index = 1668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(6.70041e-10,'m^3/(mol*s)'), n=4.77484, w0=(411,'kJ/mol'), E0=(78.0087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15766095978803782, var=7.788475726988993, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C + Total Standard Deviation in ln(k): 5.9909157839388465"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 5.9909157839388465""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 5.9909157839388465 +""", +) + +entry( + index = 1669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.63414e-10,'m^3/(mol*s)'), n=4.83474, w0=(411,'kJ/mol'), E0=(80.2565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1673223202017268, var=9.47625714304428, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.5916900632651245"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.5916900632651245""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.5916900632651245 +""", +) + +entry( + index = 1670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.46952e-09,'m^3/(mol*s)'), n=4.69601, w0=(411,'kJ/mol'), E0=(88.6209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17783296381847255, var=9.89259850868301, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C + Total Standard Deviation in ln(k): 6.75220979572152"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 6.75220979572152""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 6.75220979572152 +""", +) + +entry( + index = 1671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_5R!H-inRing", + kinetics = ArrheniusBM(A=(1.50252e-09,'m^3/(mol*s)'), n=4.70579, w0=(411,'kJ/mol'), E0=(88.8562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2479912508448762, var=11.486173505601151, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_5R!H-inRing + Total Standard Deviation in ln(k): 7.417392914036083"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_5R!H-inRing +Total Standard Deviation in ln(k): 7.417392914036083""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_5R!H-inRing +Total Standard Deviation in ln(k): 7.417392914036083 +""", +) + +entry( + index = 1672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.47872e-09,'m^3/(mol*s)'), n=4.68895, w0=(411,'kJ/mol'), E0=(88.5219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14306779946733844, var=18.604544512433726, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing + Total Standard Deviation in ln(k): 9.006487765734235"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing +Total Standard Deviation in ln(k): 9.006487765734235""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing +Total Standard Deviation in ln(k): 9.006487765734235 +""", +) + +entry( + index = 1673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_Sp-6C=5R!H", + kinetics = ArrheniusBM(A=(1.99037e-09,'m^3/(mol*s)'), n=4.57944, w0=(411,'kJ/mol'), E0=(89.7949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13256494444206945, var=49.51511830683397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_Sp-6C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_Sp-6C=5R!H + Total Standard Deviation in ln(k): 14.43979299732331"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_Sp-6C=5R!H +Total Standard Deviation in ln(k): 14.43979299732331""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_Sp-6C=5R!H +Total Standard Deviation in ln(k): 14.43979299732331 +""", +) + +entry( + index = 1674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_N-Sp-6C=5R!H", + kinetics = ArrheniusBM(A=(1.17123e-08,'m^3/(mol*s)'), n=4.50398, w0=(411,'kJ/mol'), E0=(89.8016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12224762171799657, var=70.27386253971169, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_N-Sp-6C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_N-Sp-6C=5R!H + Total Standard Deviation in ln(k): 17.112750160879383"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_N-Sp-6C=5R!H +Total Standard Deviation in ln(k): 17.112750160879383""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_6R!H->C_N-5R!H-inRing_N-Sp-6C=5R!H +Total Standard Deviation in ln(k): 17.112750160879383 +""", +) + +entry( + index = 1675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(7.38203e-09,'m^3/(mol*s)'), n=4.47569, w0=(411,'kJ/mol'), E0=(61.9409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06492070766194284, var=5.146641787189312, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_N-6R!H->C + Total Standard Deviation in ln(k): 4.711101692992556"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.711101692992556""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.711101692992556 +""", +) + +entry( + index = 1676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C", + kinetics = ArrheniusBM(A=(1.7576e-08,'m^3/(mol*s)'), n=4.3871, w0=(411,'kJ/mol'), E0=(71.29,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036450381573785405, var=34.04775113079077, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C + Total Standard Deviation in ln(k): 11.78930343111055"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 11.78930343111055""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 11.78930343111055 +""", +) + +entry( + index = 1677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.2443e-09,'m^3/(mol*s)'), n=4.62296, w0=(411,'kJ/mol'), E0=(78.3712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2136712031209202, var=34.78098477503502, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C + Total Standard Deviation in ln(k): 12.35986877047393"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 12.35986877047393""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 12.35986877047393 +""", +) + +entry( + index = 1678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(0.0112551,'m^3/(mol*s)'), n=2.86606, w0=(411,'kJ/mol'), E0=(64.5366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06527667577687181, var=10.702834421204027, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C + Total Standard Deviation in ln(k): 6.722539986278925"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 6.722539986278925""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 6.722539986278925 +""", +) + +entry( + index = 1679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C", + kinetics = ArrheniusBM(A=(1.24173,'m^3/(mol*s)'), n=2.30489, w0=(411,'kJ/mol'), E0=(73.1328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09652965755366326, var=21.260824470288654, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C + Total Standard Deviation in ln(k): 9.486262330576011"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 9.486262330576011""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 9.486262330576011 +""", +) + +entry( + index = 1680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.34395e-08,'m^3/(mol*s)'), n=4.46344, w0=(411,'kJ/mol'), E0=(77.4171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10220483296206581, var=23.41727727891297, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 9.957990042561795"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 9.957990042561795""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 9.957990042561795 +""", +) + +entry( + index = 1681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(5.48e-08,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(44.7688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.11022302462566e-15, var=2.0164270813580635e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C + Total Standard Deviation in ln(k): 9.281142068991467e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 9.281142068991467e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_1BrCClHINOPSSi->C_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 9.281142068991467e-14 +""", +) + +entry( + index = 1682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_N-1BrCClHINOPSSi->C", + kinetics = ArrheniusBM(A=(3.31658e-07,'m^3/(mol*s)'), n=4.09627, w0=(421.5,'kJ/mol'), E0=(48.1735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005360114074028524, var=0.025922175141294915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_N-1BrCClHINOPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_N-1BrCClHINOPSSi->C + Total Standard Deviation in ln(k): 0.3362372869740675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_N-1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 0.3362372869740675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_4BrClFNOS->S_N-1BrCClHINOPSSi->C +Total Standard Deviation in ln(k): 0.3362372869740675 +""", +) + +entry( + index = 1683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S", + kinetics = ArrheniusBM(A=(12.7393,'m^3/(mol*s)'), n=1.55375, w0=(418.467,'kJ/mol'), E0=(35.7874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.134002883283768, var=13.844249619319354, Tref=1000.0, N=120, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S',), comment="""BM rule fitted to 120 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S + Total Standard Deviation in ln(k): 7.795881184104589"""), + rank = 11, + shortDesc = """BM rule fitted to 120 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S +Total Standard Deviation in ln(k): 7.795881184104589""", + longDesc = +""" +BM rule fitted to 120 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S +Total Standard Deviation in ln(k): 7.795881184104589 +""", +) + +entry( + index = 1684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(458775,'m^3/(mol*s)'), n=0.165131, w0=(419.5,'kJ/mol'), E0=(-1.43793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12624487150779343, var=3.3584989485017673, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 3.991117344635959"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 3.991117344635959""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 3.991117344635959 +""", +) + +entry( + index = 1685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R", + kinetics = ArrheniusBM(A=(458322,'m^3/(mol*s)'), n=0.25147, w0=(419.5,'kJ/mol'), E0=(11.4142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5511830397248598, var=5.455260959871925, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R + Total Standard Deviation in ln(k): 8.579804322983438"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 8.579804322983438""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 8.579804322983438 +""", +) + +entry( + index = 1686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(459331,'m^3/(mol*s)'), n=0.2513, w0=(419.5,'kJ/mol'), E0=(11.1092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18296092763647992, var=0.002758534530097637, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 0.5649930236180679"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 0.5649930236180679""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 0.5649930236180679 +""", +) + +entry( + index = 1687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(20359.8,'m^3/(mol*s)'), n=0.384075, w0=(419.5,'kJ/mol'), E0=(19.4074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1255663286520199, var=2.430597519357662, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 3.440950189585437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.440950189585437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_1BrCClHINOPSSi->Cl_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.440950189585437 +""", +) + +entry( + index = 1688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(99.8763,'m^3/(mol*s)'), n=1.33059, w0=(418.403,'kJ/mol'), E0=(52.8818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11529075531992565, var=15.144991236496274, Tref=1000.0, N=113, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 113 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 8.091415796949647"""), + rank = 11, + shortDesc = """BM rule fitted to 113 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 8.091415796949647""", + longDesc = +""" +BM rule fitted to 113 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 8.091415796949647 +""", +) + +entry( + index = 1689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C", + kinetics = ArrheniusBM(A=(5.04404e-05,'m^3/(mol*s)'), n=3.66521, w0=(411,'kJ/mol'), E0=(62.2712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.9696341290362374, var=47.96744346243061, Tref=1000.0, N=66, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C',), comment="""BM rule fitted to 66 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C + Total Standard Deviation in ln(k): 21.34589326728432"""), + rank = 11, + shortDesc = """BM rule fitted to 66 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C +Total Standard Deviation in ln(k): 21.34589326728432""", + longDesc = +""" +BM rule fitted to 66 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C +Total Standard Deviation in ln(k): 21.34589326728432 +""", +) + +entry( + index = 1690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0", + kinetics = ArrheniusBM(A=(5.10477e-05,'m^3/(mol*s)'), n=3.66397, w0=(411,'kJ/mol'), E0=(62.2926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.969538417854911, var=47.96742036809481, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0 + Total Standard Deviation in ln(k): 21.345649444522973"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0 +Total Standard Deviation in ln(k): 21.345649444522973""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0 +Total Standard Deviation in ln(k): 21.345649444522973 +""", +) + +entry( + index = 1691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_4NO->N", + kinetics = ArrheniusBM(A=(0.250049,'m^3/(mol*s)'), n=2.11545, w0=(411,'kJ/mol'), E0=(96.9902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N", + kinetics = ArrheniusBM(A=(5.84086e-11,'m^3/(mol*s)'), n=5.43675, w0=(411,'kJ/mol'), E0=(42.1349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5165990460948944, var=9.240014190508548, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N + Total Standard Deviation in ln(k): 9.904422097037338"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N +Total Standard Deviation in ln(k): 9.904422097037338""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N +Total Standard Deviation in ln(k): 9.904422097037338 +""", +) + +entry( + index = 1693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000177806,'m^3/(mol*s)'), n=3.1631, w0=(411,'kJ/mol'), E0=(49.714,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13521082734505024, var=6.57337961254826, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R + Total Standard Deviation in ln(k): 5.479586363877293"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R +Total Standard Deviation in ln(k): 5.479586363877293""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R +Total Standard Deviation in ln(k): 5.479586363877293 +""", +) + +entry( + index = 1694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl", + kinetics = ArrheniusBM(A=(3.7683e-16,'m^3/(mol*s)'), n=6.6479, w0=(411,'kJ/mol'), E0=(9.90022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4034636853232748, var=2.329549296509803, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl + Total Standard Deviation in ln(k): 4.073527159979239"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl +Total Standard Deviation in ln(k): 4.073527159979239""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl +Total Standard Deviation in ln(k): 4.073527159979239 +""", +) + +entry( + index = 1695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.15206e-11,'m^3/(mol*s)'), n=5.39105, w0=(411,'kJ/mol'), E0=(22.3626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3639380457278038, var=4.059373519491457, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R + Total Standard Deviation in ln(k): 4.953534787635785"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 4.953534787635785""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 4.953534787635785 +""", +) + +entry( + index = 1696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.08738e-16,'m^3/(mol*s)'), n=6.5999, w0=(411,'kJ/mol'), E0=(-45.8315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4898920485325095, var=2.4877645135139046, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.392882782849046"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.392882782849046""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.392882782849046 +""", +) + +entry( + index = 1697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.44263e-09,'m^3/(mol*s)'), n=4.87603, w0=(411,'kJ/mol'), E0=(19.4929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.43239e-10,'m^3/(mol*s)'), n=4.86927, w0=(411,'kJ/mol'), E0=(27.3342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.08055e-11,'m^3/(mol*s)'), n=5.3414, w0=(411,'kJ/mol'), E0=(24.6493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.12332e-11,'m^3/(mol*s)'), n=5.09837, w0=(411,'kJ/mol'), E0=(24.2412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-3C-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.53045e-17,'m^3/(mol*s)'), n=6.82427, w0=(411,'kJ/mol'), E0=(-14.0334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3358610192073807, var=1.476658335169345, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 3.2799824992122577"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 3.2799824992122577""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 3.2799824992122577 +""", +) + +entry( + index = 1702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.05903e-08,'m^3/(mol*s)'), n=4.28026, w0=(411,'kJ/mol'), E0=(24.6409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8542081465240186, var=2.8109945874663635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.507394656610608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.507394656610608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.507394656610608 +""", +) + +entry( + index = 1703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.46044e-08,'m^3/(mol*s)'), n=4.43605, w0=(411,'kJ/mol'), E0=(24.2671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.221,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(32.4773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.1263,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(21.4268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(3.45253e-12,'m^3/(mol*s)'), n=5.40049, w0=(411,'kJ/mol'), E0=(30.2016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.20408e-11,'m^3/(mol*s)'), n=5.30502, w0=(411,'kJ/mol'), E0=(29.9029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_5R!H->Cl_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(0.0222442,'m^3/(mol*s)'), n=2.52423, w0=(411,'kJ/mol'), E0=(56.9703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2085901249581661, var=6.794250637515835, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl + Total Standard Deviation in ln(k): 5.749594819587294"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 5.749594819587294""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 5.749594819587294 +""", +) + +entry( + index = 1709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(0.391252,'m^3/(mol*s)'), n=2.13395, w0=(411,'kJ/mol'), E0=(58.8514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3012683579081133, var=7.080236143067379, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 6.091297730257054"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 6.091297730257054""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 6.091297730257054 +""", +) + +entry( + index = 1710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi", + kinetics = ArrheniusBM(A=(0.380029,'m^3/(mol*s)'), n=2.13972, w0=(411,'kJ/mol'), E0=(59.007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30348014318303196, var=7.095255729369875, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi + Total Standard Deviation in ln(k): 6.102509958145326"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi +Total Standard Deviation in ln(k): 6.102509958145326""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi +Total Standard Deviation in ln(k): 6.102509958145326 +""", +) + +entry( + index = 1711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.11401e-06,'m^3/(mol*s)'), n=3.62022, w0=(411,'kJ/mol'), E0=(43.9712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1725929943796335, var=2.3325553296022288, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R + Total Standard Deviation in ln(k): 3.4954235817407526"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R +Total Standard Deviation in ln(k): 3.4954235817407526""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R +Total Standard Deviation in ln(k): 3.4954235817407526 +""", +) + +entry( + index = 1712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_6R!H->Br", + kinetics = ArrheniusBM(A=(3.45471e-10,'m^3/(mol*s)'), n=5.13567, w0=(411,'kJ/mol'), E0=(27.3557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_6R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_6R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_6R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_6R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br", + kinetics = ArrheniusBM(A=(8.3587e-06,'m^3/(mol*s)'), n=3.5999, w0=(411,'kJ/mol'), E0=(44.3415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20229653231498668, var=1.5710827906336335, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br + Total Standard Deviation in ln(k): 3.0210746543466938"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br +Total Standard Deviation in ln(k): 3.0210746543466938""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br +Total Standard Deviation in ln(k): 3.0210746543466938 +""", +) + +entry( + index = 1714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.51015e-13,'m^3/(mol*s)'), n=5.78241, w0=(411,'kJ/mol'), E0=(34.2881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.42312e-08,'m^3/(mol*s)'), n=4.47606, w0=(411,'kJ/mol'), E0=(33.7535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10132831157861602, var=0.6061440219185649, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R + Total Standard Deviation in ln(k): 1.8153852883549473"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R +Total Standard Deviation in ln(k): 1.8153852883549473""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R +Total Standard Deviation in ln(k): 1.8153852883549473 +""", +) + +entry( + index = 1716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_6CClF->Cl", + kinetics = ArrheniusBM(A=(4.42249e-10,'m^3/(mol*s)'), n=5.00071, w0=(411,'kJ/mol'), E0=(30.1049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_6CClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_6CClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_6CClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_6CClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl", + kinetics = ArrheniusBM(A=(5.50541e-08,'m^3/(mol*s)'), n=4.27681, w0=(411,'kJ/mol'), E0=(35.1899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17694823405028595, var=0.4475597331311044, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl + Total Standard Deviation in ln(k): 1.7857594215066688"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl +Total Standard Deviation in ln(k): 1.7857594215066688""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl +Total Standard Deviation in ln(k): 1.7857594215066688 +""", +) + +entry( + index = 1718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(1.76276e-08,'m^3/(mol*s)'), n=4.43571, w0=(411,'kJ/mol'), E0=(32.895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1852233449047991, var=0.7451631886102299, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 2.1959294468219075"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 2.1959294468219075""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 2.1959294468219075 +""", +) + +entry( + index = 1719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(2.06793e-09,'m^3/(mol*s)'), n=4.68126, w0=(411,'kJ/mol'), E0=(31.9841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-1C-R_N-6CClF->Cl_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(2.66665e-10,'m^3/(mol*s)'), n=4.74447, w0=(411,'kJ/mol'), E0=(30.6549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14066707519575927, var=1.3487911966502493, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 2.6816834638489278"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 2.6816834638489278""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 2.6816834638489278 +""", +) + +entry( + index = 1721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(5.44707e-10,'m^3/(mol*s)'), n=4.61983, w0=(411,'kJ/mol'), E0=(33.1578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_Ext-1C-R_N-6R!H->Br_Ext-5BrCFINOPSSi-R_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl", + kinetics = ArrheniusBM(A=(3.26536e-09,'m^3/(mol*s)'), n=4.50384, w0=(411,'kJ/mol'), E0=(31.1857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07994444145692084, var=0.5783368215881456, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl + Total Standard Deviation in ln(k): 1.7254355773157923"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl +Total Standard Deviation in ln(k): 1.7254355773157923""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl +Total Standard Deviation in ln(k): 1.7254355773157923 +""", +) + +entry( + index = 1723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(8.52693e-07,'m^3/(mol*s)'), n=3.73244, w0=(411,'kJ/mol'), E0=(28.3087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.537372787839477, var=16.46456440585974, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 14.509831898420948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 14.509831898420948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 14.509831898420948 +""", +) + +entry( + index = 1724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(6.20356e-09,'m^3/(mol*s)'), n=4.37102, w0=(411,'kJ/mol'), E0=(25.4948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-5BrCFINOPSSi-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-3C-R", + kinetics = ArrheniusBM(A=(6.50441e-11,'m^3/(mol*s)'), n=5.02303, w0=(411,'kJ/mol'), E0=(30.1982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_6R!H->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(34.8493,'m^3/(mol*s)'), n=1.34813, w0=(411,'kJ/mol'), E0=(70.2032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6055661791007736, var=10.234054480366291, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl + Total Standard Deviation in ln(k): 7.934812666605487"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl +Total Standard Deviation in ln(k): 7.934812666605487""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl +Total Standard Deviation in ln(k): 7.934812666605487 +""", +) + +entry( + index = 1727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(5.90366,'m^3/(mol*s)'), n=1.51238, w0=(411,'kJ/mol'), E0=(69.7268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6135056200489925, var=8.5820889083621, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 7.414383416786928"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 7.414383416786928""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 7.414383416786928 +""", +) + +entry( + index = 1728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_6BrCF->C", + kinetics = ArrheniusBM(A=(2.81005e-09,'m^3/(mol*s)'), n=4.10777, w0=(411,'kJ/mol'), E0=(52.4205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20574464207555088, var=0.9608993587729466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_6BrCF->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_6BrCF->C + Total Standard Deviation in ln(k): 2.4820974024921028"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_6BrCF->C +Total Standard Deviation in ln(k): 2.4820974024921028""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_6BrCF->C +Total Standard Deviation in ln(k): 2.4820974024921028 +""", +) + +entry( + index = 1729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C", + kinetics = ArrheniusBM(A=(2.71201e-07,'m^3/(mol*s)'), n=3.76095, w0=(411,'kJ/mol'), E0=(37.3814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04323490111077337, var=4.819055312370548, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C + Total Standard Deviation in ln(k): 4.509494376432117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C +Total Standard Deviation in ln(k): 4.509494376432117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C +Total Standard Deviation in ln(k): 4.509494376432117 +""", +) + +entry( + index = 1730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(2.64829e-08,'m^3/(mol*s)'), n=4.13351, w0=(411,'kJ/mol'), E0=(32.2187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_Sp-6R!H-5BrCFINOPSSi_N-6R!H->Cl_Ext-5BrCFINOPSSi-R_N-6BrCF->C_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_N-Sp-6R!H-5BrCFINOPSSi", + kinetics = ArrheniusBM(A=(1119.28,'m^3/(mol*s)'), n=0.643297, w0=(411,'kJ/mol'), E0=(25.448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_N-Sp-6R!H-5BrCFINOPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_N-Sp-6R!H-5BrCFINOPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_N-Sp-6R!H-5BrCFINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R_N-Sp-6R!H-5BrCFINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(1.93117e-05,'m^3/(mol*s)'), n=3.33897, w0=(411,'kJ/mol'), E0=(52.6878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07559206885120442, var=16.166375637062654, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C + Total Standard Deviation in ln(k): 8.25045469081775"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C +Total Standard Deviation in ln(k): 8.25045469081775""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C +Total Standard Deviation in ln(k): 8.25045469081775 +""", +) + +entry( + index = 1733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C", + kinetics = ArrheniusBM(A=(1.84371e-07,'m^3/(mol*s)'), n=3.86706, w0=(411,'kJ/mol'), E0=(50.6606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15592636692694453, var=16.298889535184287, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C + Total Standard Deviation in ln(k): 8.485267831426656"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C +Total Standard Deviation in ln(k): 8.485267831426656""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C +Total Standard Deviation in ln(k): 8.485267831426656 +""", +) + +entry( + index = 1734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.63938e-25,'m^3/(mol*s)'), n=8.85983, w0=(411,'kJ/mol'), E0=(3.37581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-8.840133612097228, var=176.09521407999833, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R + Total Standard Deviation in ln(k): 48.81440025880187"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R +Total Standard Deviation in ln(k): 48.81440025880187""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R +Total Standard Deviation in ln(k): 48.81440025880187 +""", +) + +entry( + index = 1735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.57349e-24,'m^3/(mol*s)'), n=8.61134, w0=(411,'kJ/mol'), E0=(1.36755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-9.677453822790099, var=219.6740795151518, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R + Total Standard Deviation in ln(k): 54.028203364641314"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R +Total Standard Deviation in ln(k): 54.028203364641314""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R +Total Standard Deviation in ln(k): 54.028203364641314 +""", +) + +entry( + index = 1736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.387743,'m^3/(mol*s)'), n=2.21869, w0=(411,'kJ/mol'), E0=(167.871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20726151047755773, var=7.462063259186754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.99704774364854"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.99704774364854""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.99704774364854 +""", +) + +entry( + index = 1737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0343,'m^3/(mol*s)'), n=2.5, w0=(411,'kJ/mol'), E0=(171.479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.1949e-11,'m^3/(mol*s)'), n=4.89063, w0=(411,'kJ/mol'), E0=(34.3128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-3C-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.98098e-05,'m^3/(mol*s)'), n=3.27417, w0=(411,'kJ/mol'), E0=(51.9389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34684632684886885, var=16.30498078718638, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R + Total Standard Deviation in ln(k): 8.96647843972389"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R +Total Standard Deviation in ln(k): 8.96647843972389""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R +Total Standard Deviation in ln(k): 8.96647843972389 +""", +) + +entry( + index = 1740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(2263.07,'m^3/(mol*s)'), n=0.665449, w0=(411,'kJ/mol'), E0=(97.6866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.336798873328635, var=50.372168917131866, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 15.074505435480104"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 15.074505435480104""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 15.074505435480104 +""", +) + +entry( + index = 1741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(516.662,'m^3/(mol*s)'), n=0.744022, w0=(411,'kJ/mol'), E0=(95.1805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47042723933081754, var=189.22043415779203, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 28.758596213419136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 28.758596213419136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 28.758596213419136 +""", +) + +entry( + index = 1742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.88567e-07,'m^3/(mol*s)'), n=4.00087, w0=(411,'kJ/mol'), E0=(41.5562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06087342079096381, var=2.0918647902642467, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 3.052452842395936"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.052452842395936""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.052452842395936 +""", +) + +entry( + index = 1743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.63389e-11,'m^3/(mol*s)'), n=5.03945, w0=(411,'kJ/mol'), E0=(30.9653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_6BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(386409,'m^3/(mol*s)'), n=-0.268467, w0=(411,'kJ/mol'), E0=(56.6552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_6BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_6BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_6BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_6BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_N-6BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(1.9951e-11,'m^3/(mol*s)'), n=5.13396, w0=(411,'kJ/mol'), E0=(33.3212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_N-6BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_N-6BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_N-6BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_Sp-5C-1C_Ext-1C-R_N-6R!H->C_N-6BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C", + kinetics = ArrheniusBM(A=(9.84918e-13,'m^3/(mol*s)'), n=5.66271, w0=(411,'kJ/mol'), E0=(10.2777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0112447083315703, var=2.527411470967587, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C + Total Standard Deviation in ln(k): 8.240473345288597"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C +Total Standard Deviation in ln(k): 8.240473345288597""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C +Total Standard Deviation in ln(k): 8.240473345288597 +""", +) + +entry( + index = 1747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.04036e-12,'m^3/(mol*s)'), n=5.65484, w0=(411,'kJ/mol'), E0=(7.80562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.175181798052055, var=6.824068986196334, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R + Total Standard Deviation in ln(k): 10.702234109856452"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R +Total Standard Deviation in ln(k): 10.702234109856452""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R +Total Standard Deviation in ln(k): 10.702234109856452 +""", +) + +entry( + index = 1748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_6R!H->C", + kinetics = ArrheniusBM(A=(24282.4,'m^3/(mol*s)'), n=0.400317, w0=(411,'kJ/mol'), E0=(48.0935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(8.00162e-10,'m^3/(mol*s)'), n=4.87407, w0=(411,'kJ/mol'), E0=(25.57,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_5BrCFINOPSSi->C_N-Sp-5C-1C_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(0.00026813,'m^3/(mol*s)'), n=3.20211, w0=(411,'kJ/mol'), E0=(52.2593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11252510690007576, var=3.4034562004093956, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C + Total Standard Deviation in ln(k): 3.9811535817730417"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C +Total Standard Deviation in ln(k): 3.9811535817730417""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C +Total Standard Deviation in ln(k): 3.9811535817730417 +""", +) + +entry( + index = 1751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0378625,'m^3/(mol*s)'), n=2.55459, w0=(411,'kJ/mol'), E0=(58.8081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20788349353072882, var=5.589474252090947, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.261928832251256"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.261928832251256""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.261928832251256 +""", +) + +entry( + index = 1752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(113.798,'m^3/(mol*s)'), n=1.53624, w0=(411,'kJ/mol'), E0=(66.5634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3401967859647308, var=15.92012793227462, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 8.85366576982495"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.85366576982495""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.85366576982495 +""", +) + +entry( + index = 1753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(17.8145,'m^3/(mol*s)'), n=1.66462, w0=(411,'kJ/mol'), E0=(64.6364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08274525813858177, var=50.48105334549964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R + Total Standard Deviation in ln(k): 14.451549382484117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R +Total Standard Deviation in ln(k): 14.451549382484117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R +Total Standard Deviation in ln(k): 14.451549382484117 +""", +) + +entry( + index = 1754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.29936e-10,'m^3/(mol*s)'), n=5.18826, w0=(411,'kJ/mol'), E0=(33.9804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.32279e-12,'m^3/(mol*s)'), n=5.02356, w0=(411,'kJ/mol'), E0=(32.3653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-3C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.04535e-14,'m^3/(mol*s)'), n=5.97663, w0=(411,'kJ/mol'), E0=(31.3942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_Ext-1C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F", + kinetics = ArrheniusBM(A=(2.03313e-10,'m^3/(mol*s)'), n=5.05666, w0=(411,'kJ/mol'), E0=(36.9676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16505935786434336, var=2.4918515441000277, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F + Total Standard Deviation in ln(k): 3.579316526224562"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F +Total Standard Deviation in ln(k): 3.579316526224562""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F +Total Standard Deviation in ln(k): 3.579316526224562 +""", +) + +entry( + index = 1758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F_Ext-3C-R", + kinetics = ArrheniusBM(A=(9.614e-13,'m^3/(mol*s)'), n=5.75355, w0=(411,'kJ/mol'), E0=(33.6356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_5BrFOS->F_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F", + kinetics = ArrheniusBM(A=(3.22869e-05,'m^3/(mol*s)'), n=3.41692, w0=(411,'kJ/mol'), E0=(44.3287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.938825222512885, var=24.18472322146203, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F + Total Standard Deviation in ln(k): 17.242862282466717"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F +Total Standard Deviation in ln(k): 17.242862282466717""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F +Total Standard Deviation in ln(k): 17.242862282466717 +""", +) + +entry( + index = 1760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F_Ext-3C-R", + kinetics = ArrheniusBM(A=(90500,'m^3/(mol*s)'), n=-2.91631e-09, w0=(411,'kJ/mol'), E0=(56.1132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-1C-R_N-5R!H->Cl_N-5BrCFINOPSSi->C_N-5BrFOS->F_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(6.30041e-16,'m^3/(mol*s)'), n=6.90428, w0=(411,'kJ/mol'), E0=(27.5698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2886872113514731, var=3.318881825923133, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R + Total Standard Deviation in ln(k): 6.89009353702683"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 6.89009353702683""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 6.89009353702683 +""", +) + +entry( + index = 1762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.46773e-15,'m^3/(mol*s)'), n=6.79912, w0=(411,'kJ/mol'), E0=(28.997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.405230232347783, var=18.46979242826196, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 17.171503838819742"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 17.171503838819742""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 17.171503838819742 +""", +) + +entry( + index = 1763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(8.13052e-09,'m^3/(mol*s)'), n=4.30637, w0=(411,'kJ/mol'), E0=(33.5181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.39944e-12,'m^3/(mol*s)'), n=5.82183, w0=(411,'kJ/mol'), E0=(23.6522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20453292825328698, var=0.14477230712180406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.2766826021774604"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.2766826021774604""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.2766826021774604 +""", +) + +entry( + index = 1765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(1.74173e-10,'m^3/(mol*s)'), n=5.4159, w0=(411,'kJ/mol'), E0=(32.3661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(2.81215e-09,'m^3/(mol*s)'), n=4.902, w0=(411,'kJ/mol'), E0=(27.9438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_1C-u0_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_N-1C-u0", + kinetics = ArrheniusBM(A=(6582.07,'m^3/(mol*s)'), n=-0.217003, w0=(411,'kJ/mol'), E0=(24.5128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_N-1C-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_N-1C-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_N-1C-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_1BrCHNO->C_N-1C-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C", + kinetics = ArrheniusBM(A=(7.08888e+06,'m^3/(mol*s)'), n=-0.239582, w0=(428.798,'kJ/mol'), E0=(57.8487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09478647929809388, var=19.484477237655163, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C + Total Standard Deviation in ln(k): 9.087303147740037"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C +Total Standard Deviation in ln(k): 9.087303147740037""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C +Total Standard Deviation in ln(k): 9.087303147740037 +""", +) + +entry( + index = 1769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br", + kinetics = ArrheniusBM(A=(2.17661e+08,'m^3/(mol*s)'), n=-0.876326, w0=(386.5,'kJ/mol'), E0=(8.86667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05550709333825166, var=6.382309420702721, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br + Total Standard Deviation in ln(k): 5.204073996804064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br +Total Standard Deviation in ln(k): 5.204073996804064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br +Total Standard Deviation in ln(k): 5.204073996804064 +""", +) + +entry( + index = 1770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br_Ext-3C-R", + kinetics = ArrheniusBM(A=(35397.5,'m^3/(mol*s)'), n=0.279825, w0=(386.5,'kJ/mol'), E0=(-6.97519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_1BrHNO->Br_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br", + kinetics = ArrheniusBM(A=(7.09322e+06,'m^3/(mol*s)'), n=-0.239635, w0=(430.678,'kJ/mol'), E0=(57.8617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09480939829683444, var=19.48683263038299, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br + Total Standard Deviation in ln(k): 9.087895584173772"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br +Total Standard Deviation in ln(k): 9.087895584173772""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br +Total Standard Deviation in ln(k): 9.087895584173772 +""", +) + +entry( + index = 1772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R", + kinetics = ArrheniusBM(A=(1.37093e+08,'m^3/(mol*s)'), n=-0.566878, w0=(433.079,'kJ/mol'), E0=(76.3433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1027823378425938, var=26.467935282999807, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R + Total Standard Deviation in ln(k): 13.084569899844618"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R +Total Standard Deviation in ln(k): 13.084569899844618""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R +Total Standard Deviation in ln(k): 13.084569899844618 +""", +) + +entry( + index = 1773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0", + kinetics = ArrheniusBM(A=(8.42255e+09,'m^3/(mol*s)'), n=-1.15532, w0=(432.567,'kJ/mol'), E0=(96.934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0927550579553858, var=51.831582490459745, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0 + Total Standard Deviation in ln(k): 14.665973552665841"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0 +Total Standard Deviation in ln(k): 14.665973552665841""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0 +Total Standard Deviation in ln(k): 14.665973552665841 +""", +) + +entry( + index = 1774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000835275,'m^3/(mol*s)'), n=2.34147, w0=(435,'kJ/mol'), E0=(66.8337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-10.2214570642537, var=480.4685049558111, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R + Total Standard Deviation in ln(k): 69.62502750155679"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R +Total Standard Deviation in ln(k): 69.62502750155679""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R +Total Standard Deviation in ln(k): 69.62502750155679 +""", +) + +entry( + index = 1775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(9.56829e-10,'m^3/(mol*s)'), n=4.45001, w0=(435,'kJ/mol'), E0=(185.409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23379304194206735, var=0.012074695958598575, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.8077098598478519"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.8077098598478519""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.8077098598478519 +""", +) + +entry( + index = 1776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.569e-10,'m^3/(mol*s)'), n=4.45, w0=(435,'kJ/mol'), E0=(185.432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_1HNO->N", + kinetics = ArrheniusBM(A=(5.83e-07,'m^3/(mol*s)'), n=3.84, w0=(398.5,'kJ/mol'), E0=(42.2709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_1HNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_1HNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_1HNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_1HNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N", + kinetics = ArrheniusBM(A=(0.0498572,'m^3/(mol*s)'), n=2.01229, w0=(435,'kJ/mol'), E0=(64.29,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36965204338722474, var=89.98757801437074, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N + Total Standard Deviation in ln(k): 19.946048290174858"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N +Total Standard Deviation in ln(k): 19.946048290174858""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N +Total Standard Deviation in ln(k): 19.946048290174858 +""", +) + +entry( + index = 1779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O", + kinetics = ArrheniusBM(A=(0.00103945,'m^3/(mol*s)'), n=2.51775, w0=(435,'kJ/mol'), E0=(69.562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3185433694461594, var=138.3546096907811, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O + Total Standard Deviation in ln(k): 24.38090347431016"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O +Total Standard Deviation in ln(k): 24.38090347431016""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O +Total Standard Deviation in ln(k): 24.38090347431016 +""", +) + +entry( + index = 1780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.001047,'m^3/(mol*s)'), n=2.51583, w0=(435,'kJ/mol'), E0=(69.8427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3120101441553673, var=140.5567125038608, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R + Total Standard Deviation in ln(k): 24.551405805874754"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R +Total Standard Deviation in ln(k): 24.551405805874754""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R +Total Standard Deviation in ln(k): 24.551405805874754 +""", +) + +entry( + index = 1781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.43327e-06,'m^3/(mol*s)'), n=3.30948, w0=(435,'kJ/mol'), E0=(64.7338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18505764836890706, var=174.287567867651, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C + Total Standard Deviation in ln(k): 26.931083898917652"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 26.931083898917652""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 26.931083898917652 +""", +) + +entry( + index = 1782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(4.69522e-11,'m^3/(mol*s)'), n=4.26463, w0=(435,'kJ/mol'), E0=(-5.75261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0832175997018373e-15, var=1.7971237497066172e-29, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 1.1220224712580862e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.1220224712580862e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.1220224712580862e-14 +""", +) + +entry( + index = 1783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.68413e-11,'m^3/(mol*s)'), n=4.86473, w0=(435,'kJ/mol'), E0=(30.065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_5R!H->O_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.85836,'m^3/(mol*s)'), n=1.48351, w0=(435,'kJ/mol'), E0=(36.4185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18421283383046458, var=10.75798210708249, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O + Total Standard Deviation in ln(k): 7.03824966075271"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O +Total Standard Deviation in ln(k): 7.03824966075271""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O +Total Standard Deviation in ln(k): 7.03824966075271 +""", +) + +entry( + index = 1785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_5BrCCl->C", + kinetics = ArrheniusBM(A=(448.917,'m^3/(mol*s)'), n=0.366663, w0=(435,'kJ/mol'), E0=(37.3621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_5BrCCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_5BrCCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_5BrCCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_5BrCCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C", + kinetics = ArrheniusBM(A=(17.7551,'m^3/(mol*s)'), n=1.21449, w0=(435,'kJ/mol'), E0=(39.0937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2217116176486554, var=10.851700925081003, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C + Total Standard Deviation in ln(k): 7.161046617654296"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C +Total Standard Deviation in ln(k): 7.161046617654296""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C +Total Standard Deviation in ln(k): 7.161046617654296 +""", +) + +entry( + index = 1787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.3001e-09,'m^3/(mol*s)'), n=3.76356, w0=(435,'kJ/mol'), E0=(20.3221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_5BrCl->Br", + kinetics = ArrheniusBM(A=(0.000268495,'m^3/(mol*s)'), n=2.71055, w0=(435,'kJ/mol'), E0=(10.1077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_5BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_5BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_N-5BrCl->Br", + kinetics = ArrheniusBM(A=(9.2386e-08,'m^3/(mol*s)'), n=3.71187, w0=(435,'kJ/mol'), E0=(20.741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_N-5BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_N-5BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_N-5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_5R!H-u0_N-1HNO->N_N-5R!H->O_N-5BrCCl->C_N-5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(21.1984,'m^3/(mol*s)'), n=1.38993, w0=(435,'kJ/mol'), E0=(36.0711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7293602406054682, var=1.5810223985108443, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 4.353291507027843"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 4.353291507027843""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 4.353291507027843 +""", +) + +entry( + index = 1791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R", + kinetics = ArrheniusBM(A=(21.0893,'m^3/(mol*s)'), n=1.38991, w0=(435,'kJ/mol'), E0=(36.208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49250822342964923, var=0.9089358770328543, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R + Total Standard Deviation in ln(k): 3.1487347545539937"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R +Total Standard Deviation in ln(k): 3.1487347545539937""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R +Total Standard Deviation in ln(k): 3.1487347545539937 +""", +) + +entry( + index = 1792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_6R!H->C", + kinetics = ArrheniusBM(A=(21.837,'m^3/(mol*s)'), n=1.38517, w0=(435,'kJ/mol'), E0=(33.7683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0128473529926922, var=7.404107322067038, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_6R!H->C + Total Standard Deviation in ln(k): 10.512387662503695"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 10.512387662503695""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 10.512387662503695 +""", +) + +entry( + index = 1793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.86605e-05,'m^3/(mol*s)'), n=3.28818, w0=(435,'kJ/mol'), E0=(41.0875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_Ext-1HNO-R_N-5R!H-u0_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0", + kinetics = ArrheniusBM(A=(2.35607e+11,'m^3/(mol*s)'), n=-1.42011, w0=(426.684,'kJ/mol'), E0=(72.9011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.6900428045258127, var=68.38432653443921, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0 + Total Standard Deviation in ln(k): 25.849584241298654"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0 +Total Standard Deviation in ln(k): 25.849584241298654""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0 +Total Standard Deviation in ln(k): 25.849584241298654 +""", +) + +entry( + index = 1795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O", + kinetics = ArrheniusBM(A=(1.64772e+17,'m^3/(mol*s)'), n=-3.12005, w0=(435,'kJ/mol'), E0=(90.8864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.5723924478247495, var=257.99295031643777, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O + Total Standard Deviation in ln(k): 51.22648515501542"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O +Total Standard Deviation in ln(k): 51.22648515501542""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O +Total Standard Deviation in ln(k): 51.22648515501542 +""", +) + +entry( + index = 1796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_4NO->N", + kinetics = ArrheniusBM(A=(0.579802,'m^3/(mol*s)'), n=2.0661, w0=(435,'kJ/mol'), E0=(144.06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N", + kinetics = ArrheniusBM(A=(2.4092e+06,'m^3/(mol*s)'), n=-0.0428985, w0=(435,'kJ/mol'), E0=(30.6917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7030074871931272, var=1.182950025749963, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N + Total Standard Deviation in ln(k): 3.9467706283714423"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N +Total Standard Deviation in ln(k): 3.9467706283714423""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N +Total Standard Deviation in ln(k): 3.9467706283714423 +""", +) + +entry( + index = 1798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.17743e+06,'m^3/(mol*s)'), n=0.0568755, w0=(435,'kJ/mol'), E0=(30.6917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7554050172400985, var=1.2862067724644528, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R + Total Standard Deviation in ln(k): 4.171593786135351"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 4.171593786135351""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 4.171593786135351 +""", +) + +entry( + index = 1799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_5R!H->F", + kinetics = ArrheniusBM(A=(5.39335e-06,'m^3/(mol*s)'), n=3.62412, w0=(435,'kJ/mol'), E0=(25.2287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(2.94725e+06,'m^3/(mol*s)'), n=-0.0709827, w0=(435,'kJ/mol'), E0=(21.2155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7201294757770302, var=0.8701314807837303, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F + Total Standard Deviation in ln(k): 3.679404229532951"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 3.679404229532951""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 3.679404229532951 +""", +) + +entry( + index = 1801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(3.08319e+06,'m^3/(mol*s)'), n=-0.0775299, w0=(435,'kJ/mol'), E0=(21.4099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.963999716180767, var=1.5202900380792939, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 4.893949033983712"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 4.893949033983712""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 4.893949033983712 +""", +) + +entry( + index = 1802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.0394006,'m^3/(mol*s)'), n=2.56549, w0=(435,'kJ/mol'), E0=(15.0066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(0.0388078,'m^3/(mol*s)'), n=2.56355, w0=(435,'kJ/mol'), E0=(17.3159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O", + kinetics = ArrheniusBM(A=(53.4542,'m^3/(mol*s)'), n=1.43125, w0=(419.2,'kJ/mol'), E0=(44.0895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09204443352503064, var=0.7457509885289861, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O + Total Standard Deviation in ln(k): 1.9624939887462347"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O +Total Standard Deviation in ln(k): 1.9624939887462347""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O +Total Standard Deviation in ln(k): 1.9624939887462347 +""", +) + +entry( + index = 1805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N", + kinetics = ArrheniusBM(A=(53.2479,'m^3/(mol*s)'), n=1.42746, w0=(410,'kJ/mol'), E0=(44.1276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06438562559983212, var=0.08318898601619283, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N + Total Standard Deviation in ln(k): 0.7399886620762868"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N +Total Standard Deviation in ln(k): 0.7399886620762868""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N +Total Standard Deviation in ln(k): 0.7399886620762868 +""", +) + +entry( + index = 1806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_1HN->N", + kinetics = ArrheniusBM(A=(2.65367,'m^3/(mol*s)'), n=1.88442, w0=(398.5,'kJ/mol'), E0=(46.465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_N-1HN->N", + kinetics = ArrheniusBM(A=(4214.49,'m^3/(mol*s)'), n=0.799745, w0=(421.5,'kJ/mol'), E0=(43.3974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_4NO->N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N", + kinetics = ArrheniusBM(A=(0.000743709,'m^3/(mol*s)'), n=2.90308, w0=(421.5,'kJ/mol'), E0=(29.1583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20949249194985245, var=11.045554780914493, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N + Total Standard Deviation in ln(k): 7.189070678080294"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N +Total Standard Deviation in ln(k): 7.189070678080294""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N +Total Standard Deviation in ln(k): 7.189070678080294 +""", +) + +entry( + index = 1809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.267621,'m^3/(mol*s)'), n=2.17096, w0=(421.5,'kJ/mol'), E0=(34.9719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19576696222885617, var=5.69347359632175, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R + Total Standard Deviation in ln(k): 5.275375319978292"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 5.275375319978292""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 5.275375319978292 +""", +) + +entry( + index = 1810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.00254993,'m^3/(mol*s)'), n=2.75487, w0=(421.5,'kJ/mol'), E0=(28.424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5885178341786511, var=10.279704372821103, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 7.906265232833871"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 7.906265232833871""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 7.906265232833871 +""", +) + +entry( + index = 1811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000957476,'m^3/(mol*s)'), n=2.90422, w0=(421.5,'kJ/mol'), E0=(27.1992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10999186916890062, var=0.2631987371660377, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.3048486778105686"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.3048486778105686""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.3048486778105686 +""", +) + +entry( + index = 1812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00469099,'m^3/(mol*s)'), n=2.71102, w0=(421.5,'kJ/mol'), E0=(27.6926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.715374,'m^3/(mol*s)'), n=2.03712, w0=(421.5,'kJ/mol'), E0=(36.4908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004822342334538626, var=1.225004130615718, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 2.2309553113328175"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.2309553113328175""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.2309553113328175 +""", +) + +entry( + index = 1814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(8.05778e-06,'m^3/(mol*s)'), n=3.47524, w0=(421.5,'kJ/mol'), E0=(27.3637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(0.00645556,'m^3/(mol*s)'), n=2.60257, w0=(421.5,'kJ/mol'), E0=(26.2453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_1HNO-u0_N-1HNO->O_N-4NO->N_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0", + kinetics = ArrheniusBM(A=(1.99594e+14,'m^3/(mol*s)'), n=-2.56053, w0=(435,'kJ/mol'), E0=(66.6299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.159086813913943, var=215.5056354751468, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0 + Total Standard Deviation in ln(k): 47.417387168678644"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0 +Total Standard Deviation in ln(k): 47.417387168678644""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0 +Total Standard Deviation in ln(k): 47.417387168678644 +""", +) + +entry( + index = 1817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_4NO->N", + kinetics = ArrheniusBM(A=(1300.81,'m^3/(mol*s)'), n=0.804578, w0=(435,'kJ/mol'), E0=(124.897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N", + kinetics = ArrheniusBM(A=(1.74605e+06,'m^3/(mol*s)'), n=-0.277199, w0=(435,'kJ/mol'), E0=(29.5781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3851268408030097, var=0.47273688625529237, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N + Total Standard Deviation in ln(k): 2.346028306381724"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N +Total Standard Deviation in ln(k): 2.346028306381724""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N +Total Standard Deviation in ln(k): 2.346028306381724 +""", +) + +entry( + index = 1819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.74978e+06,'m^3/(mol*s)'), n=-0.277477, w0=(435,'kJ/mol'), E0=(29.5791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42661758268330546, var=0.5194269010570722, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R + Total Standard Deviation in ln(k): 2.5167416506871607"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 2.5167416506871607""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R +Total Standard Deviation in ln(k): 2.5167416506871607 +""", +) + +entry( + index = 1820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_5R!H->F", + kinetics = ArrheniusBM(A=(1.5446e-06,'m^3/(mol*s)'), n=3.67161, w0=(435,'kJ/mol'), E0=(27.6211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(1.90859e+06,'m^3/(mol*s)'), n=-0.289519, w0=(435,'kJ/mol'), E0=(29.6098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5346747224515175, var=0.888473816516289, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F + Total Standard Deviation in ln(k): 3.233044837626118"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 3.233044837626118""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 3.233044837626118 +""", +) + +entry( + index = 1822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(2.06733e+06,'m^3/(mol*s)'), n=-0.300584, w0=(435,'kJ/mol'), E0=(29.6509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8016181080964598, var=1.8063357222028575, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 4.708479586322642"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 4.708479586322642""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 4.708479586322642 +""", +) + +entry( + index = 1823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.0349149,'m^3/(mol*s)'), n=2.45342, w0=(435,'kJ/mol'), E0=(30.0962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(0.0122234,'m^3/(mol*s)'), n=2.50849, w0=(435,'kJ/mol'), E0=(31.0278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_Sp-4R!H=3C_N-4R!H->C_N-4BrClFNOS->S_N-1BrCClHINOPSSi->Cl_N-1BrCHNO->C_N-1BrHNO->Br_N-1HNO-u0_N-4NO->N_Ext-3C-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C", + kinetics = ArrheniusBM(A=(674749,'m^3/(mol*s)'), n=-0.116716, w0=(413.136,'kJ/mol'), E0=(29.1454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08730959366655751, var=6.162632661032971, Tref=1000.0, N=3722, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C',), comment="""BM rule fitted to 3722 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C + Total Standard Deviation in ln(k): 5.196055576883014"""), + rank = 11, + shortDesc = """BM rule fitted to 3722 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C +Total Standard Deviation in ln(k): 5.196055576883014""", + longDesc = +""" +BM rule fitted to 3722 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C +Total Standard Deviation in ln(k): 5.196055576883014 +""", +) + +entry( + index = 1826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F", + kinetics = ArrheniusBM(A=(7.39834e-06,'m^3/(mol*s)'), n=3.45289, w0=(417.69,'kJ/mol'), E0=(39.5697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11530848024160689, var=3.9547841097944167, Tref=1000.0, N=273, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F',), comment="""BM rule fitted to 273 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F + Total Standard Deviation in ln(k): 4.276464078405683"""), + rank = 11, + shortDesc = """BM rule fitted to 273 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F +Total Standard Deviation in ln(k): 4.276464078405683""", + longDesc = +""" +BM rule fitted to 273 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F +Total Standard Deviation in ln(k): 4.276464078405683 +""", +) + +entry( + index = 1827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.60091e-06,'m^3/(mol*s)'), n=3.46952, w0=(417.905,'kJ/mol'), E0=(39.2174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0970437987647872, var=3.5732749387252682, Tref=1000.0, N=236, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R',), comment="""BM rule fitted to 236 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R + Total Standard Deviation in ln(k): 4.033401017662492"""), + rank = 11, + shortDesc = """BM rule fitted to 236 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R +Total Standard Deviation in ln(k): 4.033401017662492""", + longDesc = +""" +BM rule fitted to 236 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R +Total Standard Deviation in ln(k): 4.033401017662492 +""", +) + +entry( + index = 1828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br", + kinetics = ArrheniusBM(A=(0.0132872,'m^3/(mol*s)'), n=2.3642, w0=(386.5,'kJ/mol'), E0=(17.8617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02050430892738776, var=0.250776045222698, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br + Total Standard Deviation in ln(k): 1.0554404624420408"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 1.0554404624420408""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 1.0554404624420408 +""", +) + +entry( + index = 1829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0102381,'m^3/(mol*s)'), n=2.40531, w0=(386.5,'kJ/mol'), E0=(17.6134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008597843508722036, var=0.19581834353591743, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R + Total Standard Deviation in ln(k): 0.9087252879346982"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R +Total Standard Deviation in ln(k): 0.9087252879346982""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R +Total Standard Deviation in ln(k): 0.9087252879346982 +""", +) + +entry( + index = 1830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_5R!H->Cl", + kinetics = ArrheniusBM(A=(251000,'m^3/(mol*s)'), n=4.37907e-08, w0=(386.5,'kJ/mol'), E0=(32.6534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_5R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_5R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(0.00748789,'m^3/(mol*s)'), n=2.45167, w0=(386.5,'kJ/mol'), E0=(17.2401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0013661480656114128, var=0.1771051682415241, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl + Total Standard Deviation in ln(k): 0.8471025338046896"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 0.8471025338046896""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 0.8471025338046896 +""", +) + +entry( + index = 1832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_5BrF->Br", + kinetics = ArrheniusBM(A=(263000,'m^3/(mol*s)'), n=-5.50573e-08, w0=(386.5,'kJ/mol'), E0=(31.0155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_5BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_5BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br", + kinetics = ArrheniusBM(A=(0.00347775,'m^3/(mol*s)'), n=2.55477, w0=(386.5,'kJ/mol'), E0=(11.554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004438034324132267, var=0.1378608122137635, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br + Total Standard Deviation in ln(k): 0.7555012052875995"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br +Total Standard Deviation in ln(k): 0.7555012052875995""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br +Total Standard Deviation in ln(k): 0.7555012052875995 +""", +) + +entry( + index = 1834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C", + kinetics = ArrheniusBM(A=(0.00278761,'m^3/(mol*s)'), n=2.59039, w0=(386.5,'kJ/mol'), E0=(13.9105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040214353424977006, var=0.11236113058773636, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C + Total Standard Deviation in ln(k): 0.7730345385237891"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C +Total Standard Deviation in ln(k): 0.7730345385237891""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C +Total Standard Deviation in ln(k): 0.7730345385237891 +""", +) + +entry( + index = 1835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_7R!H->Br", + kinetics = ArrheniusBM(A=(0.00249348,'m^3/(mol*s)'), n=2.56847, w0=(386.5,'kJ/mol'), E0=(13.1274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_7R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_7R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br", + kinetics = ArrheniusBM(A=(0.00294744,'m^3/(mol*s)'), n=2.60135, w0=(386.5,'kJ/mol'), E0=(14.302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006161633716422875, var=0.015540014019455917, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br + Total Standard Deviation in ln(k): 0.2653909497064358"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 0.2653909497064358""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 0.2653909497064358 +""", +) + +entry( + index = 1837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_7CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(0.00366233,'m^3/(mol*s)'), n=2.56378, w0=(386.5,'kJ/mol'), E0=(13.6974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_7CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_7CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_N-7CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(0.0023721,'m^3/(mol*s)'), n=2.63892, w0=(386.5,'kJ/mol'), E0=(14.9066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_N-7CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_N-7CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_N-7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_6R!H->C_Ext-6C-R_N-7R!H->Br_N-7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_N-6R!H->C", + kinetics = ArrheniusBM(A=(263000,'m^3/(mol*s)'), n=8.80712e-09, w0=(386.5,'kJ/mol'), E0=(39.0912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_1BrCClHINOPSSi->Br_Ext-3C-R_N-5R!H->Cl_N-5BrF->Br_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br", + kinetics = ArrheniusBM(A=(4.97451e-06,'m^3/(mol*s)'), n=3.52502, w0=(418.865,'kJ/mol'), E0=(39.1141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09362744880723067, var=3.584216950876911, Tref=1000.0, N=229, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br',), comment="""BM rule fitted to 229 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br + Total Standard Deviation in ln(k): 4.030614965713851"""), + rank = 11, + shortDesc = """BM rule fitted to 229 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 4.030614965713851""", + longDesc = +""" +BM rule fitted to 229 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 4.030614965713851 +""", +) + +entry( + index = 1841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R", + kinetics = ArrheniusBM(A=(8.95199e-06,'m^3/(mol*s)'), n=3.49251, w0=(418.76,'kJ/mol'), E0=(38.4235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10547745783257499, var=3.052838582087068, Tref=1000.0, N=150, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R',), comment="""BM rule fitted to 150 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R + Total Standard Deviation in ln(k): 3.7677668713456898"""), + rank = 11, + shortDesc = """BM rule fitted to 150 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R +Total Standard Deviation in ln(k): 3.7677668713456898""", + longDesc = +""" +BM rule fitted to 150 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R +Total Standard Deviation in ln(k): 3.7677668713456898 +""", +) + +entry( + index = 1842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O", + kinetics = ArrheniusBM(A=(0.0569527,'m^3/(mol*s)'), n=2.25132, w0=(435,'kJ/mol'), E0=(43.2277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1774661197139593, var=4.302587180226802, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O + Total Standard Deviation in ln(k): 4.604252324180492"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O +Total Standard Deviation in ln(k): 4.604252324180492""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O +Total Standard Deviation in ln(k): 4.604252324180492 +""", +) + +entry( + index = 1843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(0.227787,'m^3/(mol*s)'), n=1.98569, w0=(435,'kJ/mol'), E0=(54.3429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2587762163209042, var=1.2389706665470852, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R + Total Standard Deviation in ln(k): 2.8816432528871774"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R +Total Standard Deviation in ln(k): 2.8816432528871774""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R +Total Standard Deviation in ln(k): 2.8816432528871774 +""", +) + +entry( + index = 1844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0", + kinetics = ArrheniusBM(A=(3.90409e-13,'m^3/(mol*s)'), n=5.29485, w0=(435,'kJ/mol'), E0=(15.332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004181747572066678, var=1.274539940483374, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0 + Total Standard Deviation in ln(k): 2.2737630797076815"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0 +Total Standard Deviation in ln(k): 2.2737630797076815""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0 +Total Standard Deviation in ln(k): 2.2737630797076815 +""", +) + +entry( + index = 1845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C", + kinetics = ArrheniusBM(A=(6.1302e-08,'m^3/(mol*s)'), n=3.8623, w0=(435,'kJ/mol'), E0=(31.1036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09988110375443651, var=1.7935560165025344, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C + Total Standard Deviation in ln(k): 2.9357731432939103"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 2.9357731432939103""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 2.9357731432939103 +""", +) + +entry( + index = 1846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.16861e-08,'m^3/(mol*s)'), n=4.12614, w0=(435,'kJ/mol'), E0=(30.5766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0969668872819652, var=3.166294670056938, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 3.8108780660470356"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 3.8108780660470356""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 3.8108780660470356 +""", +) + +entry( + index = 1847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(2.21956e-07,'m^3/(mol*s)'), n=3.83707, w0=(435,'kJ/mol'), E0=(26.0531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.48173e-19,'m^3/(mol*s)'), n=7.25567, w0=(435,'kJ/mol'), E0=(0.946721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07312437590982171, var=0.44704079115003176, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C + Total Standard Deviation in ln(k): 1.524117695188197"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C +Total Standard Deviation in ln(k): 1.524117695188197""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C +Total Standard Deviation in ln(k): 1.524117695188197 +""", +) + +entry( + index = 1849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_9R!H->Br", + kinetics = ArrheniusBM(A=(3.80784e-15,'m^3/(mol*s)'), n=5.90893, w0=(435,'kJ/mol'), E0=(17.1624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_9R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_9R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_9R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_9R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br", + kinetics = ArrheniusBM(A=(2.19298e-16,'m^3/(mol*s)'), n=6.38896, w0=(435,'kJ/mol'), E0=(15.8903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09792249575539635, var=0.03958305690006519, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br + Total Standard Deviation in ln(k): 0.6448883118537665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br +Total Standard Deviation in ln(k): 0.6448883118537665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br +Total Standard Deviation in ln(k): 0.6448883118537665 +""", +) + +entry( + index = 1851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(1.23887e-15,'m^3/(mol*s)'), n=6.15172, w0=(435,'kJ/mol'), E0=(16.8507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(5.36935e-17,'m^3/(mol*s)'), n=6.58584, w0=(435,'kJ/mol'), E0=(15.3108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_5R!H->C_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.80818e-12,'m^3/(mol*s)'), n=5.06357, w0=(435,'kJ/mol'), E0=(15.8724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_7R!H->C_Ext-7C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.34536e-08,'m^3/(mol*s)'), n=3.88825, w0=(435,'kJ/mol'), E0=(34.2552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.045963141050757536, var=1.2908816201173434, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C + Total Standard Deviation in ln(k): 2.393204559526858"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 2.393204559526858""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 2.393204559526858 +""", +) + +entry( + index = 1855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_5R!H->O", + kinetics = ArrheniusBM(A=(2.15745e-09,'m^3/(mol*s)'), n=3.94396, w0=(435,'kJ/mol'), E0=(16.4982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.23942e-07,'m^3/(mol*s)'), n=3.71125, w0=(435,'kJ/mol'), E0=(37.3745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05713128817893735, var=1.3905444029820733, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O + Total Standard Deviation in ln(k): 2.5075565531225794"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O +Total Standard Deviation in ln(k): 2.5075565531225794""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O +Total Standard Deviation in ln(k): 2.5075565531225794 +""", +) + +entry( + index = 1857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C", + kinetics = ArrheniusBM(A=(5.50682e-13,'m^3/(mol*s)'), n=5.20201, w0=(435,'kJ/mol'), E0=(10.9814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.054780489636376314, var=0.32412593028504744, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C + Total Standard Deviation in ln(k): 1.2789763713634472"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C +Total Standard Deviation in ln(k): 1.2789763713634472""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C +Total Standard Deviation in ln(k): 1.2789763713634472 +""", +) + +entry( + index = 1858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.46115e-13,'m^3/(mol*s)'), n=5.2585, w0=(435,'kJ/mol'), E0=(13.999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05960019144935884, var=0.3529423922452054, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.3407413827646222"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.3407413827646222""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.3407413827646222 +""", +) + +entry( + index = 1859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.18407e-13,'m^3/(mol*s)'), n=5.38823, w0=(435,'kJ/mol'), E0=(0.0487651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0565660770551281, var=0.1311786457036457, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.8682126541054226"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.8682126541054226""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.8682126541054226 +""", +) + +entry( + index = 1860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_8R!H->O", + kinetics = ArrheniusBM(A=(1.52446e-10,'m^3/(mol*s)'), n=4.39889, w0=(435,'kJ/mol'), E0=(28.3403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_8R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_8R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_8R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_8R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O", + kinetics = ArrheniusBM(A=(7.97612e-14,'m^3/(mol*s)'), n=5.46198, w0=(435,'kJ/mol'), E0=(13.5242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023053551300569023, var=0.07312813980750162, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O + Total Standard Deviation in ln(k): 0.600048267751849"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O +Total Standard Deviation in ln(k): 0.600048267751849""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O +Total Standard Deviation in ln(k): 0.600048267751849 +""", +) + +entry( + index = 1862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_8BrClF->Br", + kinetics = ArrheniusBM(A=(8.2856e-11,'m^3/(mol*s)'), n=4.56635, w0=(435,'kJ/mol'), E0=(23.4592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_8BrClF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_8BrClF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_8BrClF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_8BrClF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br", + kinetics = ArrheniusBM(A=(5.31345e-12,'m^3/(mol*s)'), n=4.94994, w0=(435,'kJ/mol'), E0=(27.7982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023763845113064317, var=0.04468753204021305, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br + Total Standard Deviation in ln(k): 0.48349763641800475"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br +Total Standard Deviation in ln(k): 0.48349763641800475""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br +Total Standard Deviation in ln(k): 0.48349763641800475 +""", +) + +entry( + index = 1864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.61711e-11,'m^3/(mol*s)'), n=4.83336, w0=(435,'kJ/mol'), E0=(30.0903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0707264328673349, var=0.0007857683857598707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R + Total Standard Deviation in ln(k): 0.233900457863355"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R +Total Standard Deviation in ln(k): 0.233900457863355""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R +Total Standard Deviation in ln(k): 0.233900457863355 +""", +) + +entry( + index = 1865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_8ClF->Cl", + kinetics = ArrheniusBM(A=(1.8216e-11,'m^3/(mol*s)'), n=4.8131, w0=(435,'kJ/mol'), E0=(29.4915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_8ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_8ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_N-8ClF->Cl", + kinetics = ArrheniusBM(A=(2.11844e-11,'m^3/(mol*s)'), n=4.8052, w0=(435,'kJ/mol'), E0=(31.25,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_N-8ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_N-8ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_N-8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_5CF->C_Ext-5C-R_Ext-5C-R_N-8R!H->O_N-8BrClF->Br_Ext-5C-R_N-8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_N-5CF->C", + kinetics = ArrheniusBM(A=(6.52635e-10,'m^3/(mol*s)'), n=4.66338, w0=(435,'kJ/mol'), E0=(35.771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_N-5CF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_N-5CF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_N-5CF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_7R!H-u0_N-7R!H->C_N-5R!H->O_N-5CF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0", + kinetics = ArrheniusBM(A=(0.00010196,'m^3/(mol*s)'), n=3.12526, w0=(435,'kJ/mol'), E0=(41.5801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04441557612121862, var=0.7740686119489768, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0 + Total Standard Deviation in ln(k): 1.875386283751318"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 1.875386283751318""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 1.875386283751318 +""", +) + +entry( + index = 1869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C", + kinetics = ArrheniusBM(A=(0.000128647,'m^3/(mol*s)'), n=3.05264, w0=(435,'kJ/mol'), E0=(53.1169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.022083937104818888, var=0.21595619179407496, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C + Total Standard Deviation in ln(k): 0.9871094591474178"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 0.9871094591474178""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 0.9871094591474178 +""", +) + +entry( + index = 1870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(8.35688e-05,'m^3/(mol*s)'), n=3.11369, w0=(435,'kJ/mol'), E0=(53.1065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019800279152609353, var=0.21837561234575933, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 0.9865757082291216"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.9865757082291216""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.9865757082291216 +""", +) + +entry( + index = 1871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.33387e-05,'m^3/(mol*s)'), n=3.17724, w0=(435,'kJ/mol'), E0=(53.0467,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017146421070805707, var=0.22102572446086907, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.9855750403781727"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.9855750403781727""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.9855750403781727 +""", +) + +entry( + index = 1872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_8R!H->Br", + kinetics = ArrheniusBM(A=(0.00110693,'m^3/(mol*s)'), n=2.81142, w0=(435,'kJ/mol'), E0=(49.3806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_8R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_8R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_8R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_8R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br", + kinetics = ArrheniusBM(A=(1.94096e-05,'m^3/(mol*s)'), n=3.29918, w0=(435,'kJ/mol'), E0=(54.2688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01472961045144748, var=0.0744547100599647, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br + Total Standard Deviation in ln(k): 0.5840289110199982"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br +Total Standard Deviation in ln(k): 0.5840289110199982""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br +Total Standard Deviation in ln(k): 0.5840289110199982 +""", +) + +entry( + index = 1874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.0971e-05,'m^3/(mol*s)'), n=3.3269, w0=(435,'kJ/mol'), E0=(58.2156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04078454703894563, var=3.5494595462775613e-06, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R + Total Standard Deviation in ln(k): 0.1062506590513373"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 0.1062506590513373""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 0.1062506590513373 +""", +) + +entry( + index = 1875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_8ClF->Cl", + kinetics = ArrheniusBM(A=(1.70529e-05,'m^3/(mol*s)'), n=3.34111, w0=(435,'kJ/mol'), E0=(54.75,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_8ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_8ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_N-8ClF->Cl", + kinetics = ArrheniusBM(A=(2.26231e-05,'m^3/(mol*s)'), n=3.32899, w0=(435,'kJ/mol'), E0=(60.5683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_N-8ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_N-8ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_N-8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_N-8R!H->Br_Ext-5C-R_N-8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(6.58253e-05,'m^3/(mol*s)'), n=3.36368, w0=(435,'kJ/mol'), E0=(59.0469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_Ext-1O-R_N-7R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0", + kinetics = ArrheniusBM(A=(1.10259,'m^3/(mol*s)'), n=2.10177, w0=(435,'kJ/mol'), E0=(39.7809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06784567887171256, var=0.7827521001588853, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0 + Total Standard Deviation in ln(k): 1.9441213772511514"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0 +Total Standard Deviation in ln(k): 1.9441213772511514""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0 +Total Standard Deviation in ln(k): 1.9441213772511514 +""", +) + +entry( + index = 1879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F", + kinetics = ArrheniusBM(A=(1.37529,'m^3/(mol*s)'), n=2.07868, w0=(435,'kJ/mol'), E0=(40.4028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05889473187317867, var=0.9404699494408533, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F + Total Standard Deviation in ln(k): 2.092125286787342"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F +Total Standard Deviation in ln(k): 2.092125286787342""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F +Total Standard Deviation in ln(k): 2.092125286787342 +""", +) + +entry( + index = 1880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_6R!H->F", + kinetics = ArrheniusBM(A=(9.79262e-07,'m^3/(mol*s)'), n=3.99195, w0=(435,'kJ/mol'), E0=(27.2338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F", + kinetics = ArrheniusBM(A=(19.3054,'m^3/(mol*s)'), n=1.73309, w0=(435,'kJ/mol'), E0=(43.4007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10624938723846973, var=0.9379429009036963, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F + Total Standard Deviation in ln(k): 2.2084931063895406"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F +Total Standard Deviation in ln(k): 2.2084931063895406""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F +Total Standard Deviation in ln(k): 2.2084931063895406 +""", +) + +entry( + index = 1882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_6BrCCl->Br", + kinetics = ArrheniusBM(A=(4.21894e-05,'m^3/(mol*s)'), n=3.44261, w0=(435,'kJ/mol'), E0=(20.9202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_6BrCCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_6BrCCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_6BrCCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_6BrCCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br", + kinetics = ArrheniusBM(A=(37.3529,'m^3/(mol*s)'), n=1.63999, w0=(435,'kJ/mol'), E0=(44.186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10816721059514707, var=1.068736042333442, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br + Total Standard Deviation in ln(k): 2.34426583089694"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br +Total Standard Deviation in ln(k): 2.34426583089694""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br +Total Standard Deviation in ln(k): 2.34426583089694 +""", +) + +entry( + index = 1884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C", + kinetics = ArrheniusBM(A=(119.994,'m^3/(mol*s)'), n=1.48266, w0=(435,'kJ/mol'), E0=(45.7273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11716126620260411, var=1.212813421601969, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C + Total Standard Deviation in ln(k): 2.5021458486768426"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C +Total Standard Deviation in ln(k): 2.5021458486768426""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C +Total Standard Deviation in ln(k): 2.5021458486768426 +""", +) + +entry( + index = 1885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(282.459,'m^3/(mol*s)'), n=1.36436, w0=(435,'kJ/mol'), E0=(47.3969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09877966918350753, var=1.4570134505349237, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R + Total Standard Deviation in ln(k): 2.668041928044702"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.668041928044702""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.668041928044702 +""", +) + +entry( + index = 1886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_7R!H->O", + kinetics = ArrheniusBM(A=(0.00720765,'m^3/(mol*s)'), n=2.8917, w0=(435,'kJ/mol'), E0=(20.0462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_7R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_7R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(0.000169568,'m^3/(mol*s)'), n=3.10467, w0=(435,'kJ/mol'), E0=(26.8786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0033471546909075124, var=0.4599891216714404, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O + Total Standard Deviation in ln(k): 1.3680713414836825"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O +Total Standard Deviation in ln(k): 1.3680713414836825""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O +Total Standard Deviation in ln(k): 1.3680713414836825 +""", +) + +entry( + index = 1888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_7BrCClFINPSSi->Br", + kinetics = ArrheniusBM(A=(5.52191e-05,'m^3/(mol*s)'), n=3.2002, w0=(435,'kJ/mol'), E0=(23.8216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_7BrCClFINPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_7BrCClFINPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_7BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_7BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br", + kinetics = ArrheniusBM(A=(0.000418502,'m^3/(mol*s)'), n=3.00327, w0=(435,'kJ/mol'), E0=(28.6102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04824967855938306, var=0.5181418204973025, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br + Total Standard Deviation in ln(k): 1.5642801274988045"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 1.5642801274988045""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 1.5642801274988045 +""", +) + +entry( + index = 1890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R", + kinetics = ArrheniusBM(A=(0.00036476,'m^3/(mol*s)'), n=3.0267, w0=(435,'kJ/mol'), E0=(29.2393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06313926340719138, var=0.9676908683384381, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R + Total Standard Deviation in ln(k): 2.130724916954703"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R +Total Standard Deviation in ln(k): 2.130724916954703""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R +Total Standard Deviation in ln(k): 2.130724916954703 +""", +) + +entry( + index = 1891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.30314e-05,'m^3/(mol*s)'), n=3.40101, w0=(435,'kJ/mol'), E0=(15.3865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006307574426894006, var=0.14011467319010093, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 0.7662584977445812"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 0.7662584977445812""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 0.7662584977445812 +""", +) + +entry( + index = 1892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_7ClF->Cl", + kinetics = ArrheniusBM(A=(0.000364277,'m^3/(mol*s)'), n=2.99556, w0=(435,'kJ/mol'), E0=(14.0425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_7ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_7ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_N-7ClF->Cl", + kinetics = ArrheniusBM(A=(1.45615e-06,'m^3/(mol*s)'), n=3.80647, w0=(435,'kJ/mol'), E0=(17.3384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_N-7ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_N-7ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_N-7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_6CCl->C_Ext-6C-R_N-7R!H->O_N-7BrCClFINPSSi->Br_Ext-6C-R_Ext-6C-R_N-7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_N-6CCl->C", + kinetics = ArrheniusBM(A=(2.63138e-05,'m^3/(mol*s)'), n=3.48746, w0=(435,'kJ/mol'), E0=(17.8357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_N-6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_N-6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_5R!H->F_N-6R!H->F_N-6BrCCl->Br_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_N-5R!H->F", + kinetics = ArrheniusBM(A=(0.00869377,'m^3/(mol*s)'), n=2.66025, w0=(435,'kJ/mol'), E0=(6.91368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_N-5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_N-5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_1O-u0_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0", + kinetics = ArrheniusBM(A=(1.78137e-05,'m^3/(mol*s)'), n=3.18112, w0=(435,'kJ/mol'), E0=(25.9399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.035452441219301224, var=2.0237485287872707, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0 + Total Standard Deviation in ln(k): 2.940982850202565"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0 +Total Standard Deviation in ln(k): 2.940982850202565""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0 +Total Standard Deviation in ln(k): 2.940982850202565 +""", +) + +entry( + index = 1897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl", + kinetics = ArrheniusBM(A=(7.32848e+06,'m^3/(mol*s)'), n=-0.474872, w0=(435,'kJ/mol'), E0=(42.092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007438851825031813, var=0.0026351221893309617, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl + Total Standard Deviation in ln(k): 0.12160053276804071"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl +Total Standard Deviation in ln(k): 0.12160053276804071""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl +Total Standard Deviation in ln(k): 0.12160053276804071 +""", +) + +entry( + index = 1898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_6R!H->F", + kinetics = ArrheniusBM(A=(8.18911e+06,'m^3/(mol*s)'), n=-0.515511, w0=(435,'kJ/mol'), E0=(40.4729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_N-6R!H->F", + kinetics = ArrheniusBM(A=(8.70758e+06,'m^3/(mol*s)'), n=-0.469504, w0=(435,'kJ/mol'), E0=(44.0549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_N-6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_N-6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_5R!H->Cl_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(1.20665e-05,'m^3/(mol*s)'), n=3.23725, w0=(435,'kJ/mol'), E0=(25.8209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040968426341021325, var=2.099751391857725, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl + Total Standard Deviation in ln(k): 3.00790090568564"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl +Total Standard Deviation in ln(k): 3.00790090568564""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl +Total Standard Deviation in ln(k): 3.00790090568564 +""", +) + +entry( + index = 1901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C", + kinetics = ArrheniusBM(A=(2.73001e-05,'m^3/(mol*s)'), n=3.10115, w0=(435,'kJ/mol'), E0=(25.8877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03826780370158763, var=2.4689050935208283, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C + Total Standard Deviation in ln(k): 3.246140348808923"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C +Total Standard Deviation in ln(k): 3.246140348808923""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C +Total Standard Deviation in ln(k): 3.246140348808923 +""", +) + +entry( + index = 1902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.01923e-05,'m^3/(mol*s)'), n=3.19909, w0=(435,'kJ/mol'), E0=(25.5359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0444034152551261, var=2.4961818305100194, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.278909380376282"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.278909380376282""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.278909380376282 +""", +) + +entry( + index = 1903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.28714e-06,'m^3/(mol*s)'), n=3.41736, w0=(435,'kJ/mol'), E0=(25.3758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04352243045983596, var=0.3306969303597181, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 1.2622008954817086"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.2622008954817086""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.2622008954817086 +""", +) + +entry( + index = 1904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_7R!H->Br", + kinetics = ArrheniusBM(A=(5.49643e-05,'m^3/(mol*s)'), n=2.90874, w0=(435,'kJ/mol'), E0=(22.1772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_7R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_7R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br", + kinetics = ArrheniusBM(A=(2.20709e-07,'m^3/(mol*s)'), n=3.6506, w0=(435,'kJ/mol'), E0=(25.8861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016746549369626343, var=0.2514353984149027, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br + Total Standard Deviation in ln(k): 1.0473177707817762"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 1.0473177707817762""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 1.0473177707817762 +""", +) + +entry( + index = 1906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.84084e-07,'m^3/(mol*s)'), n=3.55773, w0=(435,'kJ/mol'), E0=(25.5221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05074750959007532, var=0.3483989591762259, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R + Total Standard Deviation in ln(k): 1.3108078022845873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 1.3108078022845873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 1.3108078022845873 +""", +) + +entry( + index = 1907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_7ClF->Cl", + kinetics = ArrheniusBM(A=(1.8604e-06,'m^3/(mol*s)'), n=3.31641, w0=(435,'kJ/mol'), E0=(24.2042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_7ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_7ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_N-7ClF->Cl", + kinetics = ArrheniusBM(A=(1.50725e-07,'m^3/(mol*s)'), n=3.77671, w0=(435,'kJ/mol'), E0=(27.0288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_N-7ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_N-7ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_N-7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_N-7R!H->Br_Ext-5C-R_N-7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_N-5BrCF->C", + kinetics = ArrheniusBM(A=(2.27849e-09,'m^3/(mol*s)'), n=4.51125, w0=(435,'kJ/mol'), E0=(21.4108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_N-5BrCF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_N-5BrCF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_N-5BrCF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_1CClHO->O_N-1O-u0_N-5R!H->Cl_N-5BrCF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O", + kinetics = ArrheniusBM(A=(8.03224e-07,'m^3/(mol*s)'), n=3.84964, w0=(412.444,'kJ/mol'), E0=(37.982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09039717815245941, var=2.604368742587614, Tref=1000.0, N=108, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O',), comment="""BM rule fitted to 108 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O + Total Standard Deviation in ln(k): 3.4623814243509647"""), + rank = 11, + shortDesc = """BM rule fitted to 108 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O +Total Standard Deviation in ln(k): 3.4623814243509647""", + longDesc = +""" +BM rule fitted to 108 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O +Total Standard Deviation in ln(k): 3.4623814243509647 +""", +) + +entry( + index = 1911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H", + kinetics = ArrheniusBM(A=(0.0057323,'m^3/(mol*s)'), n=2.5553, w0=(421.5,'kJ/mol'), E0=(34.1663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07718017834066451, var=1.8783038629216335, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H + Total Standard Deviation in ln(k): 2.9414340536352563"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H +Total Standard Deviation in ln(k): 2.9414340536352563""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H +Total Standard Deviation in ln(k): 2.9414340536352563 +""", +) + +entry( + index = 1912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl", + kinetics = ArrheniusBM(A=(0.498263,'m^3/(mol*s)'), n=2.10047, w0=(421.5,'kJ/mol'), E0=(29.9125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.939360724670968, var=11.185661469034136, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl + Total Standard Deviation in ln(k): 11.577596477446354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl +Total Standard Deviation in ln(k): 11.577596477446354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl +Total Standard Deviation in ln(k): 11.577596477446354 +""", +) + +entry( + index = 1913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_6R!H->F", + kinetics = ArrheniusBM(A=(18.4005,'m^3/(mol*s)'), n=1.52966, w0=(421.5,'kJ/mol'), E0=(45.864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_N-6R!H->F", + kinetics = ArrheniusBM(A=(0.00207374,'m^3/(mol*s)'), n=2.79251, w0=(421.5,'kJ/mol'), E0=(22.367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_N-6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_N-6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_5R!H->Cl_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(2.54898e-05,'m^3/(mol*s)'), n=3.21378, w0=(421.5,'kJ/mol'), E0=(29.6702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03405458280080554, var=1.2221491090434262, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl + Total Standard Deviation in ln(k): 2.301816006064248"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.301816006064248""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.301816006064248 +""", +) + +entry( + index = 1916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C", + kinetics = ArrheniusBM(A=(7.00253e-05,'m^3/(mol*s)'), n=3.07704, w0=(421.5,'kJ/mol'), E0=(30.4426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.033563739400193214, var=1.5296421355912926, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C + Total Standard Deviation in ln(k): 2.5637613280072595"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C +Total Standard Deviation in ln(k): 2.5637613280072595""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C +Total Standard Deviation in ln(k): 2.5637613280072595 +""", +) + +entry( + index = 1917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.62878e-05,'m^3/(mol*s)'), n=3.1891, w0=(421.5,'kJ/mol'), E0=(30.5297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03739198610786523, var=1.511124883240648, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R + Total Standard Deviation in ln(k): 2.5583268333007734"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.5583268333007734""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.5583268333007734 +""", +) + +entry( + index = 1918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.35802e-06,'m^3/(mol*s)'), n=3.37584, w0=(421.5,'kJ/mol'), E0=(29.5915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.036419628254881535, var=0.44219069345742357, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 1.4246037181953695"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.4246037181953695""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.4246037181953695 +""", +) + +entry( + index = 1919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.07531e-05,'m^3/(mol*s)'), n=3.26061, w0=(421.5,'kJ/mol'), E0=(31.6718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10653403312661237, var=0.3133673375278273, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 1.3899085637980084"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.3899085637980084""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.3899085637980084 +""", +) + +entry( + index = 1920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(1.49447e-05,'m^3/(mol*s)'), n=3.16719, w0=(421.5,'kJ/mol'), E0=(31.349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(8.82771e-06,'m^3/(mol*s)'), n=3.31139, w0=(421.5,'kJ/mol'), E0=(31.7979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0890204384216039, var=0.4762956414638592, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 1.607220827122532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 1.607220827122532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 1.607220827122532 +""", +) + +entry( + index = 1922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br", + kinetics = ArrheniusBM(A=(6.00577e-05,'m^3/(mol*s)'), n=2.99601, w0=(421.5,'kJ/mol'), E0=(31.0829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br", + kinetics = ArrheniusBM(A=(2.52224e-06,'m^3/(mol*s)'), n=3.54408, w0=(421.5,'kJ/mol'), E0=(33.2222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_5BrCF->C_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->Cl_N-7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C", + kinetics = ArrheniusBM(A=(1.69204e-07,'m^3/(mol*s)'), n=3.89878, w0=(421.5,'kJ/mol'), E0=(26.0502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2483138860644771, var=4.332149315037694, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C + Total Standard Deviation in ln(k): 7.309085729402138"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C +Total Standard Deviation in ln(k): 7.309085729402138""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C +Total Standard Deviation in ln(k): 7.309085729402138 +""", +) + +entry( + index = 1925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_5BrF->Br", + kinetics = ArrheniusBM(A=(16.052,'m^3/(mol*s)'), n=1.54512, w0=(421.5,'kJ/mol'), E0=(32.5318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_5BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_5BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_N-5BrF->Br", + kinetics = ArrheniusBM(A=(1.29072e-08,'m^3/(mol*s)'), n=4.22454, w0=(421.5,'kJ/mol'), E0=(24.3773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_N-5BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_N-5BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_N-5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_1CClH->H_N-5R!H->Cl_N-5BrCF->C_N-5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H", + kinetics = ArrheniusBM(A=(4.10557e-07,'m^3/(mol*s)'), n=3.94978, w0=(411.52,'kJ/mol'), E0=(38.4389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09239885432871026, var=2.7094657042547436, Tref=1000.0, N=98, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H',), comment="""BM rule fitted to 98 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H + Total Standard Deviation in ln(k): 3.532043027245919"""), + rank = 11, + shortDesc = """BM rule fitted to 98 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H +Total Standard Deviation in ln(k): 3.532043027245919""", + longDesc = +""" +BM rule fitted to 98 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H +Total Standard Deviation in ln(k): 3.532043027245919 +""", +) + +entry( + index = 1928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C", + kinetics = ArrheniusBM(A=(1.23041e-06,'m^3/(mol*s)'), n=3.78092, w0=(411.309,'kJ/mol'), E0=(38.075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10604966390492147, var=2.8227886595316005, Tref=1000.0, N=55, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C',), comment="""BM rule fitted to 55 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C + Total Standard Deviation in ln(k): 3.634643256689074"""), + rank = 11, + shortDesc = """BM rule fitted to 55 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C +Total Standard Deviation in ln(k): 3.634643256689074""", + longDesc = +""" +BM rule fitted to 55 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C +Total Standard Deviation in ln(k): 3.634643256689074 +""", +) + +entry( + index = 1929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R", + kinetics = ArrheniusBM(A=(9.18321e-06,'m^3/(mol*s)'), n=3.5054, w0=(411,'kJ/mol'), E0=(41.5906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15441670349245576, var=2.264373797907836, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R + Total Standard Deviation in ln(k): 3.404674210530318"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.404674210530318""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.404674210530318 +""", +) + +entry( + index = 1930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.0025287,'m^3/(mol*s)'), n=2.71341, w0=(411,'kJ/mol'), E0=(41.5386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23337721692297314, var=2.7051890939563394, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C + Total Standard Deviation in ln(k): 3.88365472722932"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C +Total Standard Deviation in ln(k): 3.88365472722932""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C +Total Standard Deviation in ln(k): 3.88365472722932 +""", +) + +entry( + index = 1931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R", + kinetics = ArrheniusBM(A=(2.81356e-13,'m^3/(mol*s)'), n=5.42992, w0=(411,'kJ/mol'), E0=(13.8356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.130924071237943, var=2.246156953761485, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R + Total Standard Deviation in ln(k): 3.3334883748896407"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.3334883748896407""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.3334883748896407 +""", +) + +entry( + index = 1932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.489e-15,'m^3/(mol*s)'), n=5.98708, w0=(411,'kJ/mol'), E0=(0.0985625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11456805651723542, var=0.7100604276843967, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R + Total Standard Deviation in ln(k): 1.9771511229766678"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.9771511229766678""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.9771511229766678 +""", +) + +entry( + index = 1933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.12984e-10,'m^3/(mol*s)'), n=4.73548, w0=(411,'kJ/mol'), E0=(21.149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22700846489851584, var=0.9980998268718463, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C + Total Standard Deviation in ln(k): 2.5732025272535393"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 2.5732025272535393""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 2.5732025272535393 +""", +) + +entry( + index = 1934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_9R!H->Cl", + kinetics = ArrheniusBM(A=(3.79444e-11,'m^3/(mol*s)'), n=4.89862, w0=(411,'kJ/mol'), E0=(20.4408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_9R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_9R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_9R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_9R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl", + kinetics = ArrheniusBM(A=(4.58937e-10,'m^3/(mol*s)'), n=4.66571, w0=(411,'kJ/mol'), E0=(21.3995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2041350264572681, var=1.7027061034779194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl + Total Standard Deviation in ln(k): 3.1288363973624898"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl +Total Standard Deviation in ln(k): 3.1288363973624898""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl +Total Standard Deviation in ln(k): 3.1288363973624898 +""", +) + +entry( + index = 1936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_9BrF->Br", + kinetics = ArrheniusBM(A=(4.64186e-11,'m^3/(mol*s)'), n=4.95414, w0=(411,'kJ/mol'), E0=(22.5005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_9BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_9BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_N-9BrF->Br", + kinetics = ArrheniusBM(A=(2.32331e-10,'m^3/(mol*s)'), n=4.74709, w0=(411,'kJ/mol'), E0=(16.9823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_N-9BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_N-9BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_N-9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_8R!H->C_N-9R!H->Cl_N-9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.4949e-13,'m^3/(mol*s)'), n=5.39996, w0=(411,'kJ/mol'), E0=(0.244192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0248246411023832, var=1.0465998185560148, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.113286843352849"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.113286843352849""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.113286843352849 +""", +) + +entry( + index = 1939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_9R!H->Cl", + kinetics = ArrheniusBM(A=(2.66228e-10,'m^3/(mol*s)'), n=4.5144, w0=(411,'kJ/mol'), E0=(15.7444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_9R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_9R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_9R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_9R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl", + kinetics = ArrheniusBM(A=(5.73477e-14,'m^3/(mol*s)'), n=5.49628, w0=(411,'kJ/mol'), E0=(3.6627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006983491393440043, var=1.4618835067169558, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl + Total Standard Deviation in ln(k): 2.4414390594557367"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl +Total Standard Deviation in ln(k): 2.4414390594557367""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl +Total Standard Deviation in ln(k): 2.4414390594557367 +""", +) + +entry( + index = 1941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_9BrF->Br", + kinetics = ArrheniusBM(A=(1.74172e-10,'m^3/(mol*s)'), n=4.51442, w0=(411,'kJ/mol'), E0=(15.4342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_9BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_9BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_N-9BrF->Br", + kinetics = ArrheniusBM(A=(4.4255e-11,'m^3/(mol*s)'), n=4.65307, w0=(411,'kJ/mol'), E0=(20.316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_N-9BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_N-9BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_N-9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-1CCl-R_Ext-5C-R_N-8R!H->C_N-9R!H->Cl_N-9BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(6.07994e-12,'m^3/(mol*s)'), n=4.98146, w0=(411,'kJ/mol'), E0=(21.895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03338686248327183, var=0.23060193937134724, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 1.0465810370045707"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 1.0465810370045707""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 1.0465810370045707 +""", +) + +entry( + index = 1944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br", + kinetics = ArrheniusBM(A=(3.2003e-11,'m^3/(mol*s)'), n=4.76426, w0=(411,'kJ/mol'), E0=(27.2731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6343526499349645, var=0.677520235893189, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br + Total Standard Deviation in ln(k): 3.2439807460130536"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br +Total Standard Deviation in ln(k): 3.2439807460130536""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br +Total Standard Deviation in ln(k): 3.2439807460130536 +""", +) + +entry( + index = 1945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_8R!H->C", + kinetics = ArrheniusBM(A=(1.60917e-12,'m^3/(mol*s)'), n=5.17092, w0=(411,'kJ/mol'), E0=(26.0994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_N-8R!H->C", + kinetics = ArrheniusBM(A=(232794,'m^3/(mol*s)'), n=-0.204194, w0=(411,'kJ/mol'), E0=(41.5686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_9R!H->Br_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br", + kinetics = ArrheniusBM(A=(4.08045e-12,'m^3/(mol*s)'), n=5.03393, w0=(411,'kJ/mol'), E0=(20.4952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008899851131500183, var=0.04022976564362275, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br + Total Standard Deviation in ln(k): 0.4244583496647198"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br +Total Standard Deviation in ln(k): 0.4244583496647198""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br +Total Standard Deviation in ln(k): 0.4244583496647198 +""", +) + +entry( + index = 1948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C", + kinetics = ArrheniusBM(A=(5.28725e-12,'m^3/(mol*s)'), n=5.03895, w0=(411,'kJ/mol'), E0=(21.6032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05037492331844297, var=0.08399371108198238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C + Total Standard Deviation in ln(k): 0.7075758341393799"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C +Total Standard Deviation in ln(k): 0.7075758341393799""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C +Total Standard Deviation in ln(k): 0.7075758341393799 +""", +) + +entry( + index = 1949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(5.57985e-12,'m^3/(mol*s)'), n=5.09024, w0=(411,'kJ/mol'), E0=(23.7905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_N-9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(5.03973e-12,'m^3/(mol*s)'), n=4.98693, w0=(411,'kJ/mol'), E0=(19.4221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_N-9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_N-9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_8R!H->C_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.74598e-12,'m^3/(mol*s)'), n=5.00732, w0=(411,'kJ/mol'), E0=(19.5705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06698939615322087, var=5.253285930213227e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C + Total Standard Deviation in ln(k): 0.1828452963933193"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C +Total Standard Deviation in ln(k): 0.1828452963933193""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C +Total Standard Deviation in ln(k): 0.1828452963933193 +""", +) + +entry( + index = 1952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(4.82313e-12,'m^3/(mol*s)'), n=4.97497, w0=(411,'kJ/mol'), E0=(19.4622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_N-9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(2.74811e-12,'m^3/(mol*s)'), n=5.04676, w0=(411,'kJ/mol'), E0=(19.6174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_N-9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_N-9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Ext-7C-R_Ext-5C-R_N-9R!H->Br_N-8R!H->C_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl", + kinetics = ArrheniusBM(A=(4.09759e-11,'m^3/(mol*s)'), n=5.01243, w0=(411,'kJ/mol'), E0=(23.4316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06755595963245858, var=0.3625261894071737, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl + Total Standard Deviation in ln(k): 1.3767925444685467"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl +Total Standard Deviation in ln(k): 1.3767925444685467""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl +Total Standard Deviation in ln(k): 1.3767925444685467 +""", +) + +entry( + index = 1955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(8.53907e-11,'m^3/(mol*s)'), n=4.96419, w0=(411,'kJ/mol'), E0=(24.1767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(2.96544e-11,'m^3/(mol*s)'), n=5.0311, w0=(411,'kJ/mol'), E0=(23.1056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05093990693130496, var=0.8902419083677203, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 2.019510017382186"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 2.019510017382186""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 2.019510017382186 +""", +) + +entry( + index = 1957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(6.01987e-11,'m^3/(mol*s)'), n=4.96396, w0=(411,'kJ/mol'), E0=(21.8771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.79208e-11,'m^3/(mol*s)'), n=5.07281, w0=(411,'kJ/mol'), E0=(24.5543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_Sp-7C-1CCl_Ext-5C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl", + kinetics = ArrheniusBM(A=(2.92764e-08,'m^3/(mol*s)'), n=4.3806, w0=(411,'kJ/mol'), E0=(28.5372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05517343542452665, var=0.8116724912874007, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl + Total Standard Deviation in ln(k): 1.9447500545844807"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl +Total Standard Deviation in ln(k): 1.9447500545844807""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl +Total Standard Deviation in ln(k): 1.9447500545844807 +""", +) + +entry( + index = 1960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.13267e-08,'m^3/(mol*s)'), n=4.30581, w0=(411,'kJ/mol'), E0=(28.7403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03875200419469858, var=1.0332430591236967, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R + Total Standard Deviation in ln(k): 2.1351512656443563"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R +Total Standard Deviation in ln(k): 2.1351512656443563""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R +Total Standard Deviation in ln(k): 2.1351512656443563 +""", +) + +entry( + index = 1961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_8R!H->C", + kinetics = ArrheniusBM(A=(5.05354e-08,'m^3/(mol*s)'), n=4.38616, w0=(411,'kJ/mol'), E0=(33.7201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.36089e-09,'m^3/(mol*s)'), n=4.62932, w0=(411,'kJ/mol'), E0=(24.5709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07302166451485953, var=1.3518716645707114, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.514377316286351"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.514377316286351""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.514377316286351 +""", +) + +entry( + index = 1963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_8BrClFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.37121e-08,'m^3/(mol*s)'), n=4.38803, w0=(411,'kJ/mol'), E0=(26.8657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_8BrClFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_8BrClFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_8BrClFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_8BrClFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br", + kinetics = ArrheniusBM(A=(9.35224e-09,'m^3/(mol*s)'), n=4.51856, w0=(411,'kJ/mol'), E0=(25.7358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11787545606837169, var=1.6918360542052295, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br + Total Standard Deviation in ln(k): 2.9037403971002775"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br +Total Standard Deviation in ln(k): 2.9037403971002775""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br +Total Standard Deviation in ln(k): 2.9037403971002775 +""", +) + +entry( + index = 1965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.75275e-08,'m^3/(mol*s)'), n=4.3317, w0=(411,'kJ/mol'), E0=(26.3618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.135268339484512, var=3.1547813430031564, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R + Total Standard Deviation in ln(k): 3.9006213340233673"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R +Total Standard Deviation in ln(k): 3.9006213340233673""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R +Total Standard Deviation in ln(k): 3.9006213340233673 +""", +) + +entry( + index = 1966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.97274e-11,'m^3/(mol*s)'), n=5.32651, w0=(411,'kJ/mol'), E0=(9.12344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05423180556109502, var=1.1021510746912757, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 2.240899526323122"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.240899526323122""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.240899526323122 +""", +) + +entry( + index = 1967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_8ClF->Cl", + kinetics = ArrheniusBM(A=(2.212e-08,'m^3/(mol*s)'), n=4.35835, w0=(411,'kJ/mol'), E0=(18.9279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_8ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_8ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_N-8ClF->Cl", + kinetics = ArrheniusBM(A=(1.09007e-09,'m^3/(mol*s)'), n=4.92167, w0=(411,'kJ/mol'), E0=(21.7712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_N-8ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_N-8ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_N-8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_7R!H->C_N-Sp-7C-1CCl_Ext-5C-R_N-8R!H->C_N-8BrClFINOPSSi->Br_Ext-5C-R_Ext-5C-R_N-8ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.45561e-08,'m^3/(mol*s)'), n=4.22873, w0=(411,'kJ/mol'), E0=(41.6861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07873300776404833, var=2.159970000759693, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C + Total Standard Deviation in ln(k): 3.144147972697987"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C +Total Standard Deviation in ln(k): 3.144147972697987""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C +Total Standard Deviation in ln(k): 3.144147972697987 +""", +) + +entry( + index = 1970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(3.2635e-11,'m^3/(mol*s)'), n=5.19465, w0=(411,'kJ/mol'), E0=(27.1154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007985986197338655, var=0.5230987696833821, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O + Total Standard Deviation in ln(k): 1.4700013111435952"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 1.4700013111435952""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 1.4700013111435952 +""", +) + +entry( + index = 1971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R", + kinetics = ArrheniusBM(A=(7.49155e-14,'m^3/(mol*s)'), n=5.96119, w0=(411,'kJ/mol'), E0=(12.4749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10075258871134629, var=0.33661710504162046, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R + Total Standard Deviation in ln(k): 1.416268697440389"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R +Total Standard Deviation in ln(k): 1.416268697440389""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R +Total Standard Deviation in ln(k): 1.416268697440389 +""", +) + +entry( + index = 1972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_8R!H->Br", + kinetics = ArrheniusBM(A=(1.73046e-09,'m^3/(mol*s)'), n=4.78055, w0=(411,'kJ/mol'), E0=(27.9334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_8R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_8R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_8R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_8R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br", + kinetics = ArrheniusBM(A=(4.37393e-14,'m^3/(mol*s)'), n=6.01075, w0=(411,'kJ/mol'), E0=(11.1474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10674870036398228, var=0.12647572530224593, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br + Total Standard Deviation in ln(k): 0.981165286266831"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br +Total Standard Deviation in ln(k): 0.981165286266831""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br +Total Standard Deviation in ln(k): 0.981165286266831 +""", +) + +entry( + index = 1974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.58788e-10,'m^3/(mol*s)'), n=4.96933, w0=(411,'kJ/mol'), E0=(29.3016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03239950307070535, var=0.028610954939355993, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R + Total Standard Deviation in ln(k): 0.4205021764258538"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 0.4205021764258538""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 0.4205021764258538 +""", +) + +entry( + index = 1975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.9194e-10,'m^3/(mol*s)'), n=4.86755, w0=(411,'kJ/mol'), E0=(30.4337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007596021211946753, var=0.0002684594379102497, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.05193252711238361"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.05193252711238361""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.05193252711238361 +""", +) + +entry( + index = 1976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_8CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(4.64106e-10,'m^3/(mol*s)'), n=4.83601, w0=(411,'kJ/mol'), E0=(29.743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_8CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_8CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_8CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_8CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_N-8CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(3.93099e-10,'m^3/(mol*s)'), n=4.8777, w0=(411,'kJ/mol'), E0=(31.3609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_N-8CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_N-8CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_N-8CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Br_Ext-5C-R_Ext-5C-R_N-8CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(6.42898e-12,'m^3/(mol*s)'), n=5.34021, w0=(411,'kJ/mol'), E0=(33.4173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01732270154788008, var=2.5390195403968923, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O + Total Standard Deviation in ln(k): 3.2379296263316957"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 3.2379296263316957""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 3.2379296263316957 +""", +) + +entry( + index = 1979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R", + kinetics = ArrheniusBM(A=(1.15941e-11,'m^3/(mol*s)'), n=5.28397, w0=(411,'kJ/mol'), E0=(34.135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030605717983336885, var=3.3855320836729557, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R + Total Standard Deviation in ln(k): 3.765574332686871"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.765574332686871""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.765574332686871 +""", +) + +entry( + index = 1980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R", + kinetics = ArrheniusBM(A=(2.27491e-12,'m^3/(mol*s)'), n=5.5993, w0=(411,'kJ/mol'), E0=(33.4167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027823862789205088, var=2.7756595680501874, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R + Total Standard Deviation in ln(k): 3.409860154221383"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.409860154221383""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R +Total Standard Deviation in ln(k): 3.409860154221383 +""", +) + +entry( + index = 1981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.82231e-13,'m^3/(mol*s)'), n=5.86321, w0=(411,'kJ/mol'), E0=(32.0163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01705764922335223, var=0.5179754832640336, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R + Total Standard Deviation in ln(k): 1.485676547321448"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.485676547321448""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.485676547321448 +""", +) + +entry( + index = 1982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_10R!H->Br", + kinetics = ArrheniusBM(A=(2.3146e-12,'m^3/(mol*s)'), n=5.46431, w0=(411,'kJ/mol'), E0=(33.3357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_10R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_10R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_10R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_10R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br", + kinetics = ArrheniusBM(A=(1.34738e-13,'m^3/(mol*s)'), n=5.92144, w0=(411,'kJ/mol'), E0=(32.0528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02744424377171868, var=0.5862645205723157, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br + Total Standard Deviation in ln(k): 1.6039391838048385"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br +Total Standard Deviation in ln(k): 1.6039391838048385""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br +Total Standard Deviation in ln(k): 1.6039391838048385 +""", +) + +entry( + index = 1984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_10CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(6.8279e-13,'m^3/(mol*s)'), n=5.71254, w0=(411,'kJ/mol'), E0=(32.6063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_10CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_10CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_10CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_10CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(7.82592e-14,'m^3/(mol*s)'), n=5.99137, w0=(411,'kJ/mol'), E0=(31.8659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0843519281641743, var=1.1246781331647935, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 2.337977970389383"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 2.337977970389383""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 2.337977970389383 +""", +) + +entry( + index = 1986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.33164e-14,'m^3/(mol*s)'), n=6.14057, w0=(411,'kJ/mol'), E0=(31.8187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12285165013597307, var=3.6966493205328415, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R + Total Standard Deviation in ln(k): 4.163110948446871"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 4.163110948446871""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 4.163110948446871 +""", +) + +entry( + index = 1987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.26978e-14,'m^3/(mol*s)'), n=6.19061, w0=(411,'kJ/mol'), E0=(33.9066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-1CCl-R_Ext-5C-R_N-10R!H->Br_N-10CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.97482e-13,'m^3/(mol*s)'), n=5.65232, w0=(411,'kJ/mol'), E0=(28.5904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026191754830476307, var=6.2427175295824044, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R + Total Standard Deviation in ln(k): 5.0747253868735145"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.0747253868735145""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.0747253868735145 +""", +) + +entry( + index = 1989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_9R!H->Br", + kinetics = ArrheniusBM(A=(1.65224e-13,'m^3/(mol*s)'), n=5.79962, w0=(411,'kJ/mol'), E0=(27.9195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_9R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_9R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_9R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_9R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br", + kinetics = ArrheniusBM(A=(2.20214e-13,'m^3/(mol*s)'), n=5.60749, w0=(411,'kJ/mol'), E0=(28.8271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06760922126820638, var=9.007261981680045, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br + Total Standard Deviation in ln(k): 6.1865035497382195"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br +Total Standard Deviation in ln(k): 6.1865035497382195""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br +Total Standard Deviation in ln(k): 6.1865035497382195 +""", +) + +entry( + index = 1991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(1.67202e-13,'m^3/(mol*s)'), n=5.75848, w0=(411,'kJ/mol'), E0=(28.7812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(2.74015e-13,'m^3/(mol*s)'), n=5.54138, w0=(411,'kJ/mol'), E0=(28.9783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11617785484878083, var=16.387850196288262, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 8.407454611975881"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 8.407454611975881""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 8.407454611975881 +""", +) + +entry( + index = 1993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R", + kinetics = ArrheniusBM(A=(7.75808e-13,'m^3/(mol*s)'), n=5.33954, w0=(411,'kJ/mol'), E0=(29.4766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14090683486958466, var=54.01470812118958, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R + Total Standard Deviation in ln(k): 15.08777742462884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 15.08777742462884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 15.08777742462884 +""", +) + +entry( + index = 1994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(9.0687e-13,'m^3/(mol*s)'), n=4.92621, w0=(411,'kJ/mol'), E0=(28.4825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-1CCl-R_Ext-5C-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.81167e-13,'m^3/(mol*s)'), n=5.56588, w0=(411,'kJ/mol'), E0=(30.5589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11865626121628167, var=2.572956405573331, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R + Total Standard Deviation in ln(k): 3.513814114420171"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R +Total Standard Deviation in ln(k): 3.513814114420171""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R +Total Standard Deviation in ln(k): 3.513814114420171 +""", +) + +entry( + index = 1996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(4.2671e-13,'m^3/(mol*s)'), n=5.51595, w0=(411,'kJ/mol'), E0=(30.6185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(7.12842e-13,'m^3/(mol*s)'), n=5.58725, w0=(411,'kJ/mol'), E0=(30.4674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14591649235652593, var=3.293359077351646, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 4.004740264791478"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.004740264791478""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.004740264791478 +""", +) + +entry( + index = 1998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.05001e-12,'m^3/(mol*s)'), n=5.56219, w0=(411,'kJ/mol'), E0=(30.1071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13804937078591537, var=5.376371887845045, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R + Total Standard Deviation in ln(k): 4.995237889618461"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 4.995237889618461""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 4.995237889618461 +""", +) + +entry( + index = 1999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.30091e-13,'m^3/(mol*s)'), n=5.61312, w0=(411,'kJ/mol'), E0=(29.0905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06702812752275107, var=6.697182152431973, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 5.356449145251009"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.356449145251009""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.356449145251009 +""", +) + +entry( + index = 2000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.7025e-12,'m^3/(mol*s)'), n=5.50516, w0=(411,'kJ/mol'), E0=(28.4237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_N-8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.15539e-13,'m^3/(mol*s)'), n=5.64757, w0=(411,'kJ/mol'), E0=(30.3908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_N-8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_N-8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_Ext-1CCl-R_N-7R!H->C_N-7BrClFINOPSSi->O_Ext-5C-R_N-8R!H->Cl_Ext-5C-R_Ext-5C-R_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C", + kinetics = ArrheniusBM(A=(2.02639e-11,'m^3/(mol*s)'), n=5.40478, w0=(411,'kJ/mol'), E0=(29.4724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19429587233847812, var=0.15068303412967263, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C + Total Standard Deviation in ln(k): 1.26637689466029"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C +Total Standard Deviation in ln(k): 1.26637689466029""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C +Total Standard Deviation in ln(k): 1.26637689466029 +""", +) + +entry( + index = 2003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.71865e-11,'m^3/(mol*s)'), n=5.27118, w0=(411,'kJ/mol'), E0=(29.5361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17675889369250497, var=0.102082623032077, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.084638125447098"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.084638125447098""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.084638125447098 +""", +) + +entry( + index = 2004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_7R!H->Br", + kinetics = ArrheniusBM(A=(1.7582e-09,'m^3/(mol*s)'), n=4.77304, w0=(411,'kJ/mol'), E0=(30.5914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_7R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_7R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br", + kinetics = ArrheniusBM(A=(2.81721e-11,'m^3/(mol*s)'), n=5.37724, w0=(411,'kJ/mol'), E0=(29.4355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22424840930830606, var=0.08780961511166274, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br + Total Standard Deviation in ln(k): 1.1574950891586424"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 1.1574950891586424""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 1.1574950891586424 +""", +) + +entry( + index = 2006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.72947e-11,'m^3/(mol*s)'), n=5.34565, w0=(411,'kJ/mol'), E0=(27.8798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22319666875005964, var=0.09993535958512624, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R + Total Standard Deviation in ln(k): 1.1945436170930752"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 1.1945436170930752""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R +Total Standard Deviation in ln(k): 1.1945436170930752 +""", +) + +entry( + index = 2007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(8.7384e-11,'m^3/(mol*s)'), n=5.15569, w0=(411,'kJ/mol'), E0=(27.1568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14962929962817256, var=0.06368607313544572, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.8818699582984252"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.8818699582984252""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.8818699582984252 +""", +) + +entry( + index = 2008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_7CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(4.12131e-10,'m^3/(mol*s)'), n=4.92507, w0=(411,'kJ/mol'), E0=(25.6375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_7CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_7CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_N-7CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(1.32316e-11,'m^3/(mol*s)'), n=5.42821, w0=(411,'kJ/mol'), E0=(28.2988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_N-7CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_N-7CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_N-7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_1CCl->C_Ext-5C-R_N-7R!H->Br_Ext-5C-R_Ext-5C-R_N-7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C", + kinetics = ArrheniusBM(A=(0.000148518,'m^3/(mol*s)'), n=3.00987, w0=(419.5,'kJ/mol'), E0=(-2.33352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13701707588715345, var=1.122830933778019, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C + Total Standard Deviation in ln(k): 2.4685558154151477"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C +Total Standard Deviation in ln(k): 2.4685558154151477""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C +Total Standard Deviation in ln(k): 2.4685558154151477 +""", +) + +entry( + index = 2011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(0.000953508,'m^3/(mol*s)'), n=2.79083, w0=(419.5,'kJ/mol'), E0=(2.60554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(0.00174713,'m^3/(mol*s)'), n=2.69081, w0=(419.5,'kJ/mol'), E0=(8.80496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_N-7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_5R!H->C_N-1CCl->C_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C", + kinetics = ArrheniusBM(A=(8.02364e-08,'m^3/(mol*s)'), n=4.1973, w0=(411.791,'kJ/mol'), E0=(38.8079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07018677359359117, var=2.764220831614968, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C + Total Standard Deviation in ln(k): 3.5094104081564383"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C +Total Standard Deviation in ln(k): 3.5094104081564383""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C +Total Standard Deviation in ln(k): 3.5094104081564383 +""", +) + +entry( + index = 2014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F", + kinetics = ArrheniusBM(A=(7.5478e-08,'m^3/(mol*s)'), n=4.20634, w0=(411.607,'kJ/mol'), E0=(38.8296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07036174818539162, var=2.769468023516899, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F + Total Standard Deviation in ln(k): 3.5130120410204038"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F +Total Standard Deviation in ln(k): 3.5130120410204038""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F +Total Standard Deviation in ln(k): 3.5130120410204038 +""", +) + +entry( + index = 2015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C", + kinetics = ArrheniusBM(A=(8.66779e-08,'m^3/(mol*s)'), n=4.19808, w0=(411,'kJ/mol'), E0=(40.087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07930402522076925, var=2.662516517168961, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C + Total Standard Deviation in ln(k): 3.4704265714583697"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C +Total Standard Deviation in ln(k): 3.4704265714583697""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C +Total Standard Deviation in ln(k): 3.4704265714583697 +""", +) + +entry( + index = 2016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br", + kinetics = ArrheniusBM(A=(0.0827342,'m^3/(mol*s)'), n=2.3893, w0=(411,'kJ/mol'), E0=(46.8373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13130788348109645, var=21.601311023272352, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br + Total Standard Deviation in ln(k): 9.647368738051952"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br +Total Standard Deviation in ln(k): 9.647368738051952""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br +Total Standard Deviation in ln(k): 9.647368738051952 +""", +) + +entry( + index = 2017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.07394e-09,'m^3/(mol*s)'), n=4.78177, w0=(411,'kJ/mol'), E0=(24.8855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_6R!H->Br_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br", + kinetics = ArrheniusBM(A=(3.41649e-08,'m^3/(mol*s)'), n=4.31922, w0=(411,'kJ/mol'), E0=(39.5269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0790224927328015, var=2.6624234734236394, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br + Total Standard Deviation in ln(k): 3.4696620460835184"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br +Total Standard Deviation in ln(k): 3.4696620460835184""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br +Total Standard Deviation in ln(k): 3.4696620460835184 +""", +) + +entry( + index = 2019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.11487e-07,'m^3/(mol*s)'), n=4.15952, w0=(411,'kJ/mol'), E0=(40.9656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10357506880083242, var=2.565712937741842, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R + Total Standard Deviation in ln(k): 3.4713920352178746"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R +Total Standard Deviation in ln(k): 3.4713920352178746""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R +Total Standard Deviation in ln(k): 3.4713920352178746 +""", +) + +entry( + index = 2020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.18464e-09,'m^3/(mol*s)'), n=4.58402, w0=(411,'kJ/mol'), E0=(38.3542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0863534724296154, var=1.3631834378784629, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.5576059222904526"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.5576059222904526""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.5576059222904526 +""", +) + +entry( + index = 2021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(4.65061e-05,'m^3/(mol*s)'), n=3.29005, w0=(411,'kJ/mol'), E0=(42.4537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12936219521939543, var=4.045624744525168, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 4.357302342166627"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.357302342166627""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.357302342166627 +""", +) + +entry( + index = 2022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_8R!H->Br", + kinetics = ArrheniusBM(A=(0.0167144,'m^3/(mol*s)'), n=2.08663, w0=(411,'kJ/mol'), E0=(39.4155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_8R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_8R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_8R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_8R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br", + kinetics = ArrheniusBM(A=(2.9255e-08,'m^3/(mol*s)'), n=4.36434, w0=(411,'kJ/mol'), E0=(37.4207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11699703470431472, var=2.143521918762185, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br + Total Standard Deviation in ln(k): 3.229049229427367"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br +Total Standard Deviation in ln(k): 3.229049229427367""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br +Total Standard Deviation in ln(k): 3.229049229427367 +""", +) + +entry( + index = 2024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F", + kinetics = ArrheniusBM(A=(1.58297e-08,'m^3/(mol*s)'), n=4.43131, w0=(411,'kJ/mol'), E0=(31.8706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.057041774893998455, var=1.5188104962523366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F + Total Standard Deviation in ln(k): 2.6139571506555406"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F +Total Standard Deviation in ln(k): 2.6139571506555406""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F +Total Standard Deviation in ln(k): 2.6139571506555406 +""", +) + +entry( + index = 2025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.04715e-09,'m^3/(mol*s)'), n=4.63022, w0=(411,'kJ/mol'), E0=(27.9835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_8CClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_N-8CClF->F", + kinetics = ArrheniusBM(A=(7.24112e-13,'m^3/(mol*s)'), n=5.70304, w0=(411,'kJ/mol'), E0=(34.9537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_N-8CClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_N-8CClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_N-8CClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_Sp-7R!H=1C_N-8R!H->Br_N-8CClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(1.77793e-10,'m^3/(mol*s)'), n=4.9717, w0=(411,'kJ/mol'), E0=(37.0133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06368569030685176, var=1.2534885352071041, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 2.4045017011275167"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 2.4045017011275167""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 2.4045017011275167 +""", +) + +entry( + index = 2028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.4022e-11,'m^3/(mol*s)'), n=5.21359, w0=(411,'kJ/mol'), E0=(36.064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.043701347910597974, var=1.5100881745442194, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 2.5733340119494956"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 2.5733340119494956""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 2.5733340119494956 +""", +) + +entry( + index = 2029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_9R!H->O", + kinetics = ArrheniusBM(A=(2.87647e-10,'m^3/(mol*s)'), n=5.02975, w0=(411,'kJ/mol'), E0=(34.2922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_9R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_9R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_9R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_9R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O", + kinetics = ArrheniusBM(A=(1.47231e-14,'m^3/(mol*s)'), n=6.16918, w0=(411,'kJ/mol'), E0=(27.762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025608392919539265, var=1.4200251098112213, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O + Total Standard Deviation in ln(k): 2.453281370745014"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O +Total Standard Deviation in ln(k): 2.453281370745014""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O +Total Standard Deviation in ln(k): 2.453281370745014 +""", +) + +entry( + index = 2031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.21085e-17,'m^3/(mol*s)'), n=7.13295, w0=(411,'kJ/mol'), E0=(20.5181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03766625377172947, var=0.5060684233909004, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 1.5207770170757968"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 1.5207770170757968""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 1.5207770170757968 +""", +) + +entry( + index = 2032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(1.10827e-13,'m^3/(mol*s)'), n=6.00936, w0=(411,'kJ/mol'), E0=(30.88,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014406127688962553, var=0.5427604310970864, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F + Total Standard Deviation in ln(k): 1.5131302681694052"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F +Total Standard Deviation in ln(k): 1.5131302681694052""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F +Total Standard Deviation in ln(k): 1.5131302681694052 +""", +) + +entry( + index = 2033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_8R!H->Cl", + kinetics = ArrheniusBM(A=(4.91022e-13,'m^3/(mol*s)'), n=5.92986, w0=(411,'kJ/mol'), E0=(32.7668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(7.92563e-14,'m^3/(mol*s)'), n=6.02465, w0=(411,'kJ/mol'), E0=(30.4476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007969609479034759, var=0.361977512067002, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl + Total Standard Deviation in ln(k): 1.2261643229598376"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl +Total Standard Deviation in ln(k): 1.2261643229598376""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl +Total Standard Deviation in ln(k): 1.2261643229598376 +""", +) + +entry( + index = 2035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.34479e-13,'m^3/(mol*s)'), n=5.92277, w0=(411,'kJ/mol'), E0=(32.0083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012628113816418273, var=0.17674618877629641, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8745434671821103"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8745434671821103""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8745434671821103 +""", +) + +entry( + index = 2036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.66365e-13,'m^3/(mol*s)'), n=6.00663, w0=(411,'kJ/mol'), E0=(33.0967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05202537408707497, var=0.08412715559731665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7121840468749515"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7121840468749515""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7121840468749515 +""", +) + +entry( + index = 2037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_8BrF->Br", + kinetics = ArrheniusBM(A=(3.48731e-13,'m^3/(mol*s)'), n=5.87205, w0=(411,'kJ/mol'), E0=(32.7312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_8BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_8BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_N-8BrF->Br", + kinetics = ArrheniusBM(A=(1.69513e-13,'m^3/(mol*s)'), n=6.04679, w0=(411,'kJ/mol'), E0=(34.282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_N-8BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_N-8BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_N-8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_9BrCClFINPSSi->F_N-8R!H->Cl_Ext-7R!H-R_Ext-7R!H-R_N-8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_N-9BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(2.96573e-11,'m^3/(mol*s)'), n=5.24513, w0=(411,'kJ/mol'), E0=(39.8021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_N-9BrCClFINPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_N-9BrCClFINPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_N-9BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-1C-R_N-9BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.91203e-12,'m^3/(mol*s)'), n=5.26395, w0=(411,'kJ/mol'), E0=(32.2589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07815718157871905, var=6.270634636101309, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.2164790998419255"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.2164790998419255""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.2164790998419255 +""", +) + +entry( + index = 2041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.87522e-11,'m^3/(mol*s)'), n=5.06387, w0=(411,'kJ/mol'), E0=(31.7817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.062299420520565384, var=9.868491032744462, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.454236953656644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.454236953656644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.454236953656644 +""", +) + +entry( + index = 2042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_9BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.67774e-10,'m^3/(mol*s)'), n=4.97137, w0=(411,'kJ/mol'), E0=(24.5754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_9BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_9BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_N-9BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(2.33513e-13,'m^3/(mol*s)'), n=5.75277, w0=(411,'kJ/mol'), E0=(33.5642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_N-9BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_N-9BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_N-9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_Ext-1C-R_N-9R!H->O_Ext-7R!H-R_Ext-7R!H-R_N-9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_8R!H->C", + kinetics = ArrheniusBM(A=(1.84457e-11,'m^3/(mol*s)'), n=5.14459, w0=(411,'kJ/mol'), E0=(26.1458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.00401e-11,'m^3/(mol*s)'), n=5.19077, w0=(411,'kJ/mol'), E0=(33.2859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021160282238900208, var=0.08886901206888415, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C + Total Standard Deviation in ln(k): 0.6507962291544197"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 0.6507962291544197""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 0.6507962291544197 +""", +) + +entry( + index = 2046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.27354e-11,'m^3/(mol*s)'), n=5.08136, w0=(411,'kJ/mol'), E0=(34.3942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5731895406690283, var=0.8727890342125069, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.3130619616588084"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.3130619616588084""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.3130619616588084 +""", +) + +entry( + index = 2047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.45e+06,'m^3/(mol*s)'), n=2.04866e-10, w0=(411,'kJ/mol'), E0=(59.196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_Ext-7R!H-R_N-Sp-7R!H=1C_N-8R!H->C_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F", + kinetics = ArrheniusBM(A=(1.49912e-10,'m^3/(mol*s)'), n=4.93421, w0=(411,'kJ/mol'), E0=(34.4675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04213304538938309, var=8.971743263180786, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F + Total Standard Deviation in ln(k): 6.110618521207368"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F +Total Standard Deviation in ln(k): 6.110618521207368""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F +Total Standard Deviation in ln(k): 6.110618521207368 +""", +) + +entry( + index = 2049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.719e-11,'m^3/(mol*s)'), n=5.07602, w0=(411,'kJ/mol'), E0=(33.6544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05599760928415697, var=8.09111362470122, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R + Total Standard Deviation in ln(k): 5.843142960410692"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R +Total Standard Deviation in ln(k): 5.843142960410692""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R +Total Standard Deviation in ln(k): 5.843142960410692 +""", +) + +entry( + index = 2050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(3.06741e-18,'m^3/(mol*s)'), n=7.47335, w0=(411,'kJ/mol'), E0=(4.76394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020729551862314094, var=2.759309992590408, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 3.3821840027039025"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 3.3821840027039025""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 3.3821840027039025 +""", +) + +entry( + index = 2051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.59244e-12,'m^3/(mol*s)'), n=5.69136, w0=(411,'kJ/mol'), E0=(27.1278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.49141e-13,'m^3/(mol*s)'), n=5.7379, w0=(411,'kJ/mol'), E0=(28.3982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0072355444939977975, var=7.3353355496778185, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 5.447769080611792"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.447769080611792""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.447769080611792 +""", +) + +entry( + index = 2053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_8BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(2.68627e-12,'m^3/(mol*s)'), n=4.95224, w0=(411,'kJ/mol'), E0=(32.5427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_8BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_8BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_8BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_8BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(9.94278e-14,'m^3/(mol*s)'), n=5.93033, w0=(411,'kJ/mol'), E0=(27.6288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010688638393152816, var=0.0057563540309075335, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O + Total Standard Deviation in ln(k): 0.17895640893527057"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O +Total Standard Deviation in ln(k): 0.17895640893527057""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O +Total Standard Deviation in ln(k): 0.17895640893527057 +""", +) + +entry( + index = 2055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F", + kinetics = ArrheniusBM(A=(8.0052e-14,'m^3/(mol*s)'), n=5.964, w0=(411,'kJ/mol'), E0=(27.954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011605180730863307, var=0.011321371557187274, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F + Total Standard Deviation in ln(k): 0.24246643493079345"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F +Total Standard Deviation in ln(k): 0.24246643493079345""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F +Total Standard Deviation in ln(k): 0.24246643493079345 +""", +) + +entry( + index = 2056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.64096e-13,'m^3/(mol*s)'), n=5.85006, w0=(411,'kJ/mol'), E0=(26.9561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_6ClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_N-6ClF->F", + kinetics = ArrheniusBM(A=(1.46589e-13,'m^3/(mol*s)'), n=5.86862, w0=(411,'kJ/mol'), E0=(26.9259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_N-6ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_N-6ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_N-6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_7R!H->F_Ext-1C-R_N-8R!H->C_N-8BrClFINOPSSi->O_N-6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F", + kinetics = ArrheniusBM(A=(1.60669e-07,'m^3/(mol*s)'), n=4.1874, w0=(411,'kJ/mol'), E0=(37.9981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028373017970727048, var=1.4796283154569687, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F + Total Standard Deviation in ln(k): 2.5098482068863266"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F +Total Standard Deviation in ln(k): 2.5098482068863266""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F +Total Standard Deviation in ln(k): 2.5098482068863266 +""", +) + +entry( + index = 2059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.58944e-08,'m^3/(mol*s)'), n=4.37104, w0=(411,'kJ/mol'), E0=(32.8705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12872867272993993, var=4.139251759512521, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R + Total Standard Deviation in ln(k): 4.402102695863002"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R +Total Standard Deviation in ln(k): 4.402102695863002""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R +Total Standard Deviation in ln(k): 4.402102695863002 +""", +) + +entry( + index = 2060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.49032e-08,'m^3/(mol*s)'), n=4.58358, w0=(411,'kJ/mol'), E0=(25.7778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C", + kinetics = ArrheniusBM(A=(2.99406e-14,'m^3/(mol*s)'), n=6.07774, w0=(411,'kJ/mol'), E0=(0.963468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04186450679244476, var=6.144589478749435, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C + Total Standard Deviation in ln(k): 5.074581140844868"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C +Total Standard Deviation in ln(k): 5.074581140844868""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C +Total Standard Deviation in ln(k): 5.074581140844868 +""", +) + +entry( + index = 2062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_8R!H->C", + kinetics = ArrheniusBM(A=(1.25997e-09,'m^3/(mol*s)'), n=4.86972, w0=(411,'kJ/mol'), E0=(25.3635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.24765e-10,'m^3/(mol*s)'), n=4.68875, w0=(411,'kJ/mol'), E0=(26.8141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_7BrCClO->C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_N-7BrCClO->C", + kinetics = ArrheniusBM(A=(1.45078e-11,'m^3/(mol*s)'), n=5.31003, w0=(411,'kJ/mol'), E0=(33.8011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_N-7BrCClO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_N-7BrCClO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_N-7BrCClO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_Ext-1C-R_N-7BrCClO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O", + kinetics = ArrheniusBM(A=(5.13073e-05,'m^3/(mol*s)'), n=3.48006, w0=(411,'kJ/mol'), E0=(47.1089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16388083611694237, var=2.742380050692005, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O + Total Standard Deviation in ln(k): 3.731628846461312"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O +Total Standard Deviation in ln(k): 3.731628846461312""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O +Total Standard Deviation in ln(k): 3.731628846461312 +""", +) + +entry( + index = 2066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_Sp-7O-1C", + kinetics = ArrheniusBM(A=(4.52687e-11,'m^3/(mol*s)'), n=5.11801, w0=(411,'kJ/mol'), E0=(29.3321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_Sp-7O-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_Sp-7O-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_Sp-7O-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_Sp-7O-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_N-Sp-7O-1C", + kinetics = ArrheniusBM(A=(2.19415e-09,'m^3/(mol*s)'), n=4.82853, w0=(411,'kJ/mol'), E0=(35.9206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_N-Sp-7O-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_N-Sp-7O-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_N-Sp-7O-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_7BrCClO->O_N-Sp-7O-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O", + kinetics = ArrheniusBM(A=(1.5111e-19,'m^3/(mol*s)'), n=7.63024, w0=(411,'kJ/mol'), E0=(4.4298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12992911464313656, var=3.298950254078191, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O + Total Standard Deviation in ln(k): 3.9676579017805764"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O +Total Standard Deviation in ln(k): 3.9676579017805764""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O +Total Standard Deviation in ln(k): 3.9676579017805764 +""", +) + +entry( + index = 2069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_7BrCCl->C", + kinetics = ArrheniusBM(A=(7.74881e-11,'m^3/(mol*s)'), n=5.22139, w0=(411,'kJ/mol'), E0=(25.8119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_7BrCCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_7BrCCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_7BrCCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_7BrCCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C", + kinetics = ArrheniusBM(A=(1.47882e-12,'m^3/(mol*s)'), n=5.58399, w0=(411,'kJ/mol'), E0=(31.3499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10994547853697928, var=0.5034709256553432, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C + Total Standard Deviation in ln(k): 1.6987184307590584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C +Total Standard Deviation in ln(k): 1.6987184307590584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C +Total Standard Deviation in ln(k): 1.6987184307590584 +""", +) + +entry( + index = 2071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_7BrCl->Br", + kinetics = ArrheniusBM(A=(5.31997e-12,'m^3/(mol*s)'), n=5.45577, w0=(411,'kJ/mol'), E0=(32.4876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_7BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_7BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_7BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_7BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_N-7BrCl->Br", + kinetics = ArrheniusBM(A=(3.3563e-12,'m^3/(mol*s)'), n=5.45093, w0=(411,'kJ/mol'), E0=(32.5599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_N-7BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_N-7BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_N-7BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_Ext-1C-R_N-7R!H->F_N-7BrCClO->O_N-7BrCCl->C_N-7BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_6ClF->F", + kinetics = ArrheniusBM(A=(1.44597e-11,'m^3/(mol*s)'), n=5.46824, w0=(411,'kJ/mol'), E0=(31.7059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_6ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_6ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_N-6ClF->F", + kinetics = ArrheniusBM(A=(9.88587e-11,'m^3/(mol*s)'), n=5.29103, w0=(411,'kJ/mol'), E0=(28.6781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_N-6ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_N-6ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_N-6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_1CCl->C_N-6R!H->Br_N-6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C", + kinetics = ArrheniusBM(A=(0.0052379,'m^3/(mol*s)'), n=2.52619, w0=(419.5,'kJ/mol'), E0=(15.8199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015892080634843108, var=0.014142973276235902, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C + Total Standard Deviation in ln(k): 0.2783414329763629"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C +Total Standard Deviation in ln(k): 0.2783414329763629""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C +Total Standard Deviation in ln(k): 0.2783414329763629 +""", +) + +entry( + index = 2076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_6R!H->F", + kinetics = ArrheniusBM(A=(0.000287203,'m^3/(mol*s)'), n=2.94673, w0=(419.5,'kJ/mol'), E0=(15.8545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F", + kinetics = ArrheniusBM(A=(375758,'m^3/(mol*s)'), n=-0.0875, w0=(419.5,'kJ/mol'), E0=(15.9447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05202833256940737, var=0.15289613704856156, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F + Total Standard Deviation in ln(k): 0.9146146733279032"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F +Total Standard Deviation in ln(k): 0.9146146733279032""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F +Total Standard Deviation in ln(k): 0.9146146733279032 +""", +) + +entry( + index = 2078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_6BrCl->Br", + kinetics = ArrheniusBM(A=(186000,'m^3/(mol*s)'), n=3.7373e-08, w0=(419.5,'kJ/mol'), E0=(13.9673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_6BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_6BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_6BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_6BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_N-6BrCl->Br", + kinetics = ArrheniusBM(A=(186000,'m^3/(mol*s)'), n=-1.11272e-08, w0=(419.5,'kJ/mol'), E0=(16.3245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_N-6BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_N-6BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_N-6BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_5BrClF->F_N-1CCl->C_N-6R!H->F_N-6BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_N-5BrClF->F", + kinetics = ArrheniusBM(A=(9315.72,'m^3/(mol*s)'), n=0.338502, w0=(419.5,'kJ/mol'), E0=(23.8212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_N-5BrClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_N-5BrClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_N-5BrClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_Ext-3C-R_N-1CClHO->O_N-1CClH->H_N-5R!H->C_N-5BrClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C", + kinetics = ArrheniusBM(A=(1.80352e-08,'m^3/(mol*s)'), n=4.22728, w0=(411,'kJ/mol'), E0=(42.1816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05724212136348575, var=2.5787424384745647, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C + Total Standard Deviation in ln(k): 3.3631208940022694"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C +Total Standard Deviation in ln(k): 3.3631208940022694""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C +Total Standard Deviation in ln(k): 3.3631208940022694 +""", +) + +entry( + index = 2082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.04361e-08,'m^3/(mol*s)'), n=4.02864, w0=(411,'kJ/mol'), E0=(43.2828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09323249038000853, var=2.3997010734856423, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.3397812966245413"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.3397812966245413""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.3397812966245413 +""", +) + +entry( + index = 2083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(2.32774e-11,'m^3/(mol*s)'), n=5.16588, w0=(411,'kJ/mol'), E0=(31.6456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(6.71533e-08,'m^3/(mol*s)'), n=4.03133, w0=(411,'kJ/mol'), E0=(43.2868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09096741850917765, var=2.4240416477492146, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 3.349800376177414"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 3.349800376177414""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 3.349800376177414 +""", +) + +entry( + index = 2085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O", + kinetics = ArrheniusBM(A=(6.27999e-09,'m^3/(mol*s)'), n=4.362, w0=(411,'kJ/mol'), E0=(41.6028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05628265627162359, var=0.40196775870524315, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O + Total Standard Deviation in ln(k): 1.412434338921195"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O +Total Standard Deviation in ln(k): 1.412434338921195""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O +Total Standard Deviation in ln(k): 1.412434338921195 +""", +) + +entry( + index = 2086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_Sp-6O-1C", + kinetics = ArrheniusBM(A=(1.92543e-13,'m^3/(mol*s)'), n=5.51109, w0=(411,'kJ/mol'), E0=(31.6767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_Sp-6O-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_Sp-6O-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C", + kinetics = ArrheniusBM(A=(1.39243e-09,'m^3/(mol*s)'), n=4.57002, w0=(411,'kJ/mol'), E0=(39.6771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05256665147328026, var=0.19292949281526092, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C + Total Standard Deviation in ln(k): 1.0126316351386466"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C +Total Standard Deviation in ln(k): 1.0126316351386466""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C +Total Standard Deviation in ln(k): 1.0126316351386466 +""", +) + +entry( + index = 2088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.36919e-14,'m^3/(mol*s)'), n=5.85276, w0=(411,'kJ/mol'), E0=(32.964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0064360428789915535, var=4.900448282773623e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R + Total Standard Deviation in ln(k): 0.030204749454737834"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.030204749454737834""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.030204749454737834 +""", +) + +entry( + index = 2089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(4.1986e-14,'m^3/(mol*s)'), n=5.90354, w0=(411,'kJ/mol'), E0=(34.0936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(6.85704e-14,'m^3/(mol*s)'), n=5.80216, w0=(411,'kJ/mol'), E0=(31.8329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C", + kinetics = ArrheniusBM(A=(1.26772e-10,'m^3/(mol*s)'), n=4.83535, w0=(411,'kJ/mol'), E0=(34.113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018188890225862956, var=0.11130700400289892, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C + Total Standard Deviation in ln(k): 0.7145345656268279"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C +Total Standard Deviation in ln(k): 0.7145345656268279""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C +Total Standard Deviation in ln(k): 0.7145345656268279 +""", +) + +entry( + index = 2092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.72671e-10,'m^3/(mol*s)'), n=4.72997, w0=(411,'kJ/mol'), E0=(34.2208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01904671975939024, var=0.1923603644250922, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 0.9271109549369035"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.9271109549369035""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.9271109549369035 +""", +) + +entry( + index = 2093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(7.72336e-11,'m^3/(mol*s)'), n=4.88683, w0=(411,'kJ/mol'), E0=(31.2046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05988461366616029, var=0.01723323828562198, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.4136363109510781"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.4136363109510781""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.4136363109510781 +""", +) + +entry( + index = 2094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(9.8826e-11,'m^3/(mol*s)'), n=4.8649, w0=(411,'kJ/mol'), E0=(32.5678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(5.6832e-12,'m^3/(mol*s)'), n=5.34976, w0=(411,'kJ/mol'), E0=(34.5638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_6BrCFINOPSSi->O_N-Sp-6O-1C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O", + kinetics = ArrheniusBM(A=(8.73906e-08,'m^3/(mol*s)'), n=3.99036, w0=(411,'kJ/mol'), E0=(43.3556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.094393566479163, var=2.9601689787506875, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O + Total Standard Deviation in ln(k): 3.6863448550529974"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O +Total Standard Deviation in ln(k): 3.6863448550529974""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O +Total Standard Deviation in ln(k): 3.6863448550529974 +""", +) + +entry( + index = 2097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F", + kinetics = ArrheniusBM(A=(1.53132e-12,'m^3/(mol*s)'), n=5.3482, w0=(411,'kJ/mol'), E0=(33.2542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011992295235726742, var=3.105457512941547, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F + Total Standard Deviation in ln(k): 3.5629373628146843"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F +Total Standard Deviation in ln(k): 3.5629373628146843""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F +Total Standard Deviation in ln(k): 3.5629373628146843 +""", +) + +entry( + index = 2098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.77829e-12,'m^3/(mol*s)'), n=5.25446, w0=(411,'kJ/mol'), E0=(33.1249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02906509864540628, var=3.5443609282309385, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R + Total Standard Deviation in ln(k): 3.8472370050675706"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R +Total Standard Deviation in ln(k): 3.8472370050675706""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R +Total Standard Deviation in ln(k): 3.8472370050675706 +""", +) + +entry( + index = 2099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.1583e-13,'m^3/(mol*s)'), n=5.51309, w0=(411,'kJ/mol'), E0=(30.7935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010281244159325457, var=3.9722041123412053, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.021347293074756"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.021347293074756""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.021347293074756 +""", +) + +entry( + index = 2100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.70054e-13,'m^3/(mol*s)'), n=5.54562, w0=(411,'kJ/mol'), E0=(29.0335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030600839698659427, var=9.075011771204199, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.116102879051828"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.116102879051828""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.116102879051828 +""", +) + +entry( + index = 2101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_9R!H->Br", + kinetics = ArrheniusBM(A=(2.92545e-14,'m^3/(mol*s)'), n=6.10421, w0=(411,'kJ/mol'), E0=(27.5968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_9R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_9R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_9R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_9R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br", + kinetics = ArrheniusBM(A=(1.02427e-12,'m^3/(mol*s)'), n=5.39543, w0=(411,'kJ/mol'), E0=(29.4835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07407334093357165, var=12.336000866036857, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br + Total Standard Deviation in ln(k): 7.227273465970683"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br +Total Standard Deviation in ln(k): 7.227273465970683""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br +Total Standard Deviation in ln(k): 7.227273465970683 +""", +) + +entry( + index = 2103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(1.41307e-13,'m^3/(mol*s)'), n=5.87265, w0=(411,'kJ/mol'), E0=(29.2043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_9CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(2.4447e-12,'m^3/(mol*s)'), n=5.21027, w0=(411,'kJ/mol'), E0=(29.8013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12761619200671281, var=20.257081950865594, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 9.343528901697454"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 9.343528901697454""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 9.343528901697454 +""", +) + +entry( + index = 2105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.36033e-11,'m^3/(mol*s)'), n=4.97016, w0=(411,'kJ/mol'), E0=(30.213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14908368483222642, var=72.41458589708795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R + Total Standard Deviation in ln(k): 17.43422812920552"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R +Total Standard Deviation in ln(k): 17.43422812920552""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R +Total Standard Deviation in ln(k): 17.43422812920552 +""", +) + +entry( + index = 2106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.23106e-12,'m^3/(mol*s)'), n=4.67924, w0=(411,'kJ/mol'), E0=(29.1187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-9R!H->Br_N-9CClFINOPSSi->Cl_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.85697e-13,'m^3/(mol*s)'), n=5.54779, w0=(411,'kJ/mol'), E0=(27.1363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025493192817182306, var=4.817803703407768, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 4.4643456848193335"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 4.4643456848193335""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 4.4643456848193335 +""", +) + +entry( + index = 2108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(4.76063e-13,'m^3/(mol*s)'), n=5.33428, w0=(411,'kJ/mol'), E0=(25.814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.2838e-13,'m^3/(mol*s)'), n=5.7973, w0=(411,'kJ/mol'), E0=(28.1497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.18602e-13,'m^3/(mol*s)'), n=5.63149, w0=(411,'kJ/mol'), E0=(32.67,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.034793301571333125, var=4.810229161126972, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 4.484252365677155"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.484252365677155""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.484252365677155 +""", +) + +entry( + index = 2111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(1.87791e-12,'m^3/(mol*s)'), n=5.42766, w0=(411,'kJ/mol'), E0=(34.5989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02961839482557575, var=6.920115333754368, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C + Total Standard Deviation in ln(k): 5.3480966434389705"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 5.3480966434389705""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C +Total Standard Deviation in ln(k): 5.3480966434389705 +""", +) + +entry( + index = 2112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.46686e-15,'m^3/(mol*s)'), n=6.23366, w0=(411,'kJ/mol'), E0=(29.1239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11735577534429595, var=2.1399926914727376, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.227533338030939"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.227533338030939""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.227533338030939 +""", +) + +entry( + index = 2113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.03498e-14,'m^3/(mol*s)'), n=6.03912, w0=(411,'kJ/mol'), E0=(31.8646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09699081662240755, var=6.11891845570406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 5.202697961645037"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.202697961645037""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.202697961645037 +""", +) + +entry( + index = 2114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.61378e-14,'m^3/(mol*s)'), n=5.94522, w0=(411,'kJ/mol'), E0=(33.1875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(4.2165e-14,'m^3/(mol*s)'), n=5.98534, w0=(411,'kJ/mol'), E0=(29.1253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-1C-R_N-7R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.36068e-13,'m^3/(mol*s)'), n=5.59232, w0=(411,'kJ/mol'), E0=(31.8859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08032954713668704, var=0.6106621482637847, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.7684307525315381"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7684307525315381""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7684307525315381 +""", +) + +entry( + index = 2117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.49209e-13,'m^3/(mol*s)'), n=5.49176, w0=(411,'kJ/mol'), E0=(32.1012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11657733008701837, var=1.2640244991479452, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.5468083398403625"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.5468083398403625""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.5468083398403625 +""", +) + +entry( + index = 2118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.59016e-13,'m^3/(mol*s)'), n=5.31861, w0=(411,'kJ/mol'), E0=(31.9364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.03215e-14,'m^3/(mol*s)'), n=5.73818, w0=(411,'kJ/mol'), E0=(29.7078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09855050731656853, var=2.7647928371795483, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 3.5810209113944595"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 3.5810209113944595""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 3.5810209113944595 +""", +) + +entry( + index = 2120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.07871e-14,'m^3/(mol*s)'), n=5.91625, w0=(411,'kJ/mol'), E0=(30.5357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.098813225582264, var=1.9125919991322786, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.020752743216675"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.020752743216675""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.020752743216675 +""", +) + +entry( + index = 2121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.08346e-14,'m^3/(mol*s)'), n=5.81244, w0=(411,'kJ/mol'), E0=(31.3271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12315549795750416, var=0.009054677836593115, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.5001986377552352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.5001986377552352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.5001986377552352 +""", +) + +entry( + index = 2122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.55271e-13,'m^3/(mol*s)'), n=5.61421, w0=(411,'kJ/mol'), E0=(31.3031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.00722e-11,'m^3/(mol*s)'), n=4.64096, w0=(411,'kJ/mol'), E0=(31.2017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C", + kinetics = ArrheniusBM(A=(4.12508e-13,'m^3/(mol*s)'), n=5.53361, w0=(411,'kJ/mol'), E0=(34.7544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1827462335064101, var=2.895923164734663, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C + Total Standard Deviation in ln(k): 3.8707016981995204"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C +Total Standard Deviation in ln(k): 3.8707016981995204""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C +Total Standard Deviation in ln(k): 3.8707016981995204 +""", +) + +entry( + index = 2125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.45083e-13,'m^3/(mol*s)'), n=5.53008, w0=(411,'kJ/mol'), E0=(34.0379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19486254296536876, var=2.7637265925080077, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.822368123213325"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.822368123213325""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.822368123213325 +""", +) + +entry( + index = 2126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.69026e-12,'m^3/(mol*s)'), n=5.33837, w0=(411,'kJ/mol'), E0=(34.1749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21967766222769955, var=1.0643594419573432, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 2.6201949481707927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.6201949481707927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.6201949481707927 +""", +) + +entry( + index = 2127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(9.86583e-13,'m^3/(mol*s)'), n=5.35159, w0=(411,'kJ/mol'), E0=(33.4649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.78497e-13,'m^3/(mol*s)'), n=5.82576, w0=(411,'kJ/mol'), E0=(35.4639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_6CF->F_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F", + kinetics = ArrheniusBM(A=(0.000286555,'m^3/(mol*s)'), n=2.99539, w0=(411,'kJ/mol'), E0=(48.089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1383964205148313, var=2.7313145252063618, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F + Total Standard Deviation in ln(k): 3.6608930344515067"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F +Total Standard Deviation in ln(k): 3.6608930344515067""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F +Total Standard Deviation in ln(k): 3.6608930344515067 +""", +) + +entry( + index = 2130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C", + kinetics = ArrheniusBM(A=(0.000129263,'m^3/(mol*s)'), n=3.1165, w0=(411,'kJ/mol'), E0=(46.3148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08902722627271023, var=2.875003773199532, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C + Total Standard Deviation in ln(k): 3.6228824346603963"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C +Total Standard Deviation in ln(k): 3.6228824346603963""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C +Total Standard Deviation in ln(k): 3.6228824346603963 +""", +) + +entry( + index = 2131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000606754,'m^3/(mol*s)'), n=2.90519, w0=(411,'kJ/mol'), E0=(48.3067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10292459353802517, var=3.5889654370764448, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 4.056487908060912"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.056487908060912""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.056487908060912 +""", +) + +entry( + index = 2132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_7R!H->C", + kinetics = ArrheniusBM(A=(5.45539e-08,'m^3/(mol*s)'), n=4.16816, w0=(411,'kJ/mol'), E0=(38.2751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.63769e-05,'m^3/(mol*s)'), n=3.32874, w0=(411,'kJ/mol'), E0=(43.4895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3200886495737169, var=7.657745782402225, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.351872503070299"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.351872503070299""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.351872503070299 +""", +) + +entry( + index = 2134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000183194,'m^3/(mol*s)'), n=3.0308, w0=(411,'kJ/mol'), E0=(46.0544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06563865401044343, var=10.016664865592647, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 6.509730362007367"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 6.509730362007367""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 6.509730362007367 +""", +) + +entry( + index = 2135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.51451e-12,'m^3/(mol*s)'), n=5.01861, w0=(411,'kJ/mol'), E0=(29.1849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.54278e-10,'m^3/(mol*s)'), n=4.99833, w0=(411,'kJ/mol'), E0=(26.8474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_5R!H->C_Ext-5C-R_N-7R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.1112e-06,'m^3/(mol*s)'), n=3.65323, w0=(411,'kJ/mol'), E0=(43.2401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11519536180072307, var=5.842908186587246, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C + Total Standard Deviation in ln(k): 5.135302918591051"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C +Total Standard Deviation in ln(k): 5.135302918591051""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C +Total Standard Deviation in ln(k): 5.135302918591051 +""", +) + +entry( + index = 2138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(6.44858e-12,'m^3/(mol*s)'), n=5.0747, w0=(411,'kJ/mol'), E0=(31.2797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051812096229789065, var=3.8993077343607094, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 4.088864318685483"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 4.088864318685483""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 4.088864318685483 +""", +) + +entry( + index = 2139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(9.63115e-12,'m^3/(mol*s)'), n=5.01103, w0=(411,'kJ/mol'), E0=(31.8881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053145661096198574, var=13.32837170442472, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 7.452427161426585"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 7.452427161426585""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 7.452427161426585 +""", +) + +entry( + index = 2140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(9.49943e-12,'m^3/(mol*s)'), n=5.16669, w0=(411,'kJ/mol'), E0=(30.087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_Ext-1C-R_N-6R!H->Cl_N-6BrCFINOPSSi->O_N-6CF->F_N-5R!H->C_Ext-6C-R_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C", + kinetics = ArrheniusBM(A=(4.00924e-13,'m^3/(mol*s)'), n=5.77007, w0=(411,'kJ/mol'), E0=(34.2842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2737900234182666, var=2.6803576029485057, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C + Total Standard Deviation in ln(k): 3.970026346858737"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C +Total Standard Deviation in ln(k): 3.970026346858737""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C +Total Standard Deviation in ln(k): 3.970026346858737 +""", +) + +entry( + index = 2142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.97843e-14,'m^3/(mol*s)'), n=6.11149, w0=(411,'kJ/mol'), E0=(30.7653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3793035670801766, var=4.465128477844908, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 5.189199782533492"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 5.189199782533492""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 5.189199782533492 +""", +) + +entry( + index = 2143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.11306e-12,'m^3/(mol*s)'), n=5.54671, w0=(411,'kJ/mol'), E0=(34.7575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28514689831542295, var=5.561889225734936, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 5.444348128969212"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.444348128969212""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 5.444348128969212 +""", +) + +entry( + index = 2144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.54999e-11,'m^3/(mol*s)'), n=5.43261, w0=(411,'kJ/mol'), E0=(34.5259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(7.34367e-12,'m^3/(mol*s)'), n=5.64088, w0=(411,'kJ/mol'), E0=(35.8294,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_1CClHO->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C", + kinetics = ArrheniusBM(A=(0.000348476,'m^3/(mol*s)'), n=2.75845, w0=(432.233,'kJ/mol'), E0=(31.2295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.038714132104072096, var=6.119329416094592, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C + Total Standard Deviation in ln(k): 5.056440657305938"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C +Total Standard Deviation in ln(k): 5.056440657305938""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C +Total Standard Deviation in ln(k): 5.056440657305938 +""", +) + +entry( + index = 2147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R", + kinetics = ArrheniusBM(A=(11.9026,'m^3/(mol*s)'), n=1.30844, w0=(435,'kJ/mol'), E0=(61.0908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32010063458343424, var=2.2666501786366404, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R + Total Standard Deviation in ln(k): 3.822481458110752"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R +Total Standard Deviation in ln(k): 3.822481458110752""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R +Total Standard Deviation in ln(k): 3.822481458110752 +""", +) + +entry( + index = 2148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0", + kinetics = ArrheniusBM(A=(2.58499e-12,'m^3/(mol*s)'), n=4.87162, w0=(435,'kJ/mol'), E0=(22.9543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08430797320389982, var=3.385499448303152, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0 + Total Standard Deviation in ln(k): 3.900486843358459"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.900486843358459""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.900486843358459 +""", +) + +entry( + index = 2149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_6R!H->C", + kinetics = ArrheniusBM(A=(1.71456e-13,'m^3/(mol*s)'), n=5.29847, w0=(435,'kJ/mol'), E0=(21.0582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C", + kinetics = ArrheniusBM(A=(9.06433e-09,'m^3/(mol*s)'), n=3.83812, w0=(435,'kJ/mol'), E0=(34.0469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05800290794219929, var=4.003844201478656, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C + Total Standard Deviation in ln(k): 4.157132293099038"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 4.157132293099038""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 4.157132293099038 +""", +) + +entry( + index = 2151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(7.53076e-14,'m^3/(mol*s)'), n=5.21434, w0=(435,'kJ/mol'), E0=(14.4982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02087878307820785, var=2.285574668455955, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C + Total Standard Deviation in ln(k): 3.0832412339794395"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 3.0832412339794395""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 3.0832412339794395 +""", +) + +entry( + index = 2152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.06332e-10,'m^3/(mol*s)'), n=4.15906, w0=(435,'kJ/mol'), E0=(31.4268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11629195070010225, var=2.466416055390826, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.440592680193964"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.440592680193964""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.440592680193964 +""", +) + +entry( + index = 2153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.37243e-14,'m^3/(mol*s)'), n=5.29706, w0=(435,'kJ/mol'), E0=(13.1241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005409669028412629, var=5.699969488705808, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 4.799818720047774"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.799818720047774""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.799818720047774 +""", +) + +entry( + index = 2154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.32582e-12,'m^3/(mol*s)'), n=4.70278, w0=(435,'kJ/mol'), E0=(32.4998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.73577e-11,'m^3/(mol*s)'), n=4.87748, w0=(435,'kJ/mol'), E0=(27.2349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_6R!H-u0_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(0.00119646,'m^3/(mol*s)'), n=2.62146, w0=(435,'kJ/mol'), E0=(40.6665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3178177703126673, var=2.4167584780737026, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 3.915083637877215"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 3.915083637877215""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 3.915083637877215 +""", +) + +entry( + index = 2157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C", + kinetics = ArrheniusBM(A=(0.000462209,'m^3/(mol*s)'), n=2.72767, w0=(435,'kJ/mol'), E0=(50.6591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12888099433731856, var=0.9163874413382518, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C + Total Standard Deviation in ln(k): 2.242916946698262"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 2.242916946698262""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 2.242916946698262 +""", +) + +entry( + index = 2158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000208573,'m^3/(mol*s)'), n=2.83463, w0=(435,'kJ/mol'), E0=(50.3415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.054871335170649106, var=0.9185556261858155, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 2.0592319904254888"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.0592319904254888""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.0592319904254888 +""", +) + +entry( + index = 2159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.76418e-05,'m^3/(mol*s)'), n=2.96322, w0=(435,'kJ/mol'), E0=(52.5489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.622659443007065, var=7.2011219685645305, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 9.456721574933496"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 9.456721574933496""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 9.456721574933496 +""", +) + +entry( + index = 2160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.10335e-05,'m^3/(mol*s)'), n=3.20512, w0=(435,'kJ/mol'), E0=(51.692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(6.14822e+06,'m^3/(mol*s)'), n=-1.06519e-06, w0=(435,'kJ/mol'), E0=(78.3389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015774587223282902, var=2.2480630348333492, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_N-5R!H->C + Total Standard Deviation in ln(k): 3.0454426113263953"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 3.0454426113263953""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_Ext-1ClHO-R_N-6R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 3.0454426113263953 +""", +) + +entry( + index = 2162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_1ClHO->Cl", + kinetics = ArrheniusBM(A=(0.00457212,'m^3/(mol*s)'), n=2.6022, w0=(419.5,'kJ/mol'), E0=(0.0755004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_1ClHO->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_1ClHO->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_1ClHO->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_1ClHO->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl", + kinetics = ArrheniusBM(A=(0.108958,'m^3/(mol*s)'), n=2.11573, w0=(431.029,'kJ/mol'), E0=(34.7026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04580523816251488, var=1.3914624420991861, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl + Total Standard Deviation in ln(k): 2.479879373611637"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl +Total Standard Deviation in ln(k): 2.479879373611637""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl +Total Standard Deviation in ln(k): 2.479879373611637 +""", +) + +entry( + index = 2164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O", + kinetics = ArrheniusBM(A=(0.0234744,'m^3/(mol*s)'), n=2.30355, w0=(435,'kJ/mol'), E0=(30.7846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02198899586611485, var=1.8777107262079376, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O + Total Standard Deviation in ln(k): 2.802328897315973"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O +Total Standard Deviation in ln(k): 2.802328897315973""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O +Total Standard Deviation in ln(k): 2.802328897315973 +""", +) + +entry( + index = 2165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0", + kinetics = ArrheniusBM(A=(1.96293e-05,'m^3/(mol*s)'), n=3.2521, w0=(435,'kJ/mol'), E0=(11.022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07982308896176364, var=1.9000901074481718, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0 + Total Standard Deviation in ln(k): 2.9639626540168362"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0 +Total Standard Deviation in ln(k): 2.9639626540168362""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0 +Total Standard Deviation in ln(k): 2.9639626540168362 +""", +) + +entry( + index = 2166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C", + kinetics = ArrheniusBM(A=(2.49846e-05,'m^3/(mol*s)'), n=3.19022, w0=(435,'kJ/mol'), E0=(17.4237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0768319359719462, var=3.307987303170006, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C + Total Standard Deviation in ln(k): 3.8392317972436163"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C +Total Standard Deviation in ln(k): 3.8392317972436163""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C +Total Standard Deviation in ln(k): 3.8392317972436163 +""", +) + +entry( + index = 2167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.25051e-06,'m^3/(mol*s)'), n=3.34335, w0=(435,'kJ/mol'), E0=(-29.4812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14645774864343888, var=2.4392783266923352, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.4990174587202474"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.4990174587202474""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.4990174587202474 +""", +) + +entry( + index = 2168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(7.78064e-07,'m^3/(mol*s)'), n=3.67038, w0=(435,'kJ/mol'), E0=(13.9019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21485937143537107, var=4.826437755823125, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 4.944081250862198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.944081250862198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.944081250862198 +""", +) + +entry( + index = 2169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.26947e-07,'m^3/(mol*s)'), n=3.84453, w0=(435,'kJ/mol'), E0=(20.7612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(5.99569e-05,'m^3/(mol*s)'), n=3.29659, w0=(435,'kJ/mol'), E0=(26.5634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_1O-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0", + kinetics = ArrheniusBM(A=(0.00199151,'m^3/(mol*s)'), n=2.51434, w0=(435,'kJ/mol'), E0=(23.596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013332499176312813, var=2.914388706903636, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0 + Total Standard Deviation in ln(k): 3.4558984253996328"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0 +Total Standard Deviation in ln(k): 3.4558984253996328""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0 +Total Standard Deviation in ln(k): 3.4558984253996328 +""", +) + +entry( + index = 2172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C", + kinetics = ArrheniusBM(A=(0.000700793,'m^3/(mol*s)'), n=2.65405, w0=(435,'kJ/mol'), E0=(22.2907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0001876786659478072, var=2.8787629807040656, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C + Total Standard Deviation in ln(k): 3.401889072104056"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C +Total Standard Deviation in ln(k): 3.401889072104056""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C +Total Standard Deviation in ln(k): 3.401889072104056 +""", +) + +entry( + index = 2173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.33799e-06,'m^3/(mol*s)'), n=3.33952, w0=(435,'kJ/mol'), E0=(19.7471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0452564753615765, var=0.15230869493629404, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 0.8960926155352992"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.8960926155352992""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.8960926155352992 +""", +) + +entry( + index = 2174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.64985e-06,'m^3/(mol*s)'), n=3.43928, w0=(435,'kJ/mol'), E0=(21.8214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07468456277538228, var=0.2640004360635269, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 1.2177020390204014"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.2177020390204014""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 1.2177020390204014 +""", +) + +entry( + index = 2175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.37519e-06,'m^3/(mol*s)'), n=3.52962, w0=(435,'kJ/mol'), E0=(23.9657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(70387.8,'m^3/(mol*s)'), n=0.112799, w0=(435,'kJ/mol'), E0=(46.1259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.054389617112494924, var=13.049477315046254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_N-5R!H->C + Total Standard Deviation in ln(k): 7.378574408636469"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_N-5R!H->C +Total Standard Deviation in ln(k): 7.378574408636469""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_1HO->O_N-1O-u0_N-5R!H->C +Total Standard Deviation in ln(k): 7.378574408636469 +""", +) + +entry( + index = 2177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O", + kinetics = ArrheniusBM(A=(3.59386e-05,'m^3/(mol*s)'), n=3.11976, w0=(421.5,'kJ/mol'), E0=(28.9609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02151526933622464, var=1.1145638089445589, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O + Total Standard Deviation in ln(k): 2.1705155072718574"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O +Total Standard Deviation in ln(k): 2.1705155072718574""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O +Total Standard Deviation in ln(k): 2.1705155072718574 +""", +) + +entry( + index = 2178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C", + kinetics = ArrheniusBM(A=(4.26607e-05,'m^3/(mol*s)'), n=3.09635, w0=(421.5,'kJ/mol'), E0=(29.2501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040399359548503426, var=1.6782836850269118, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C + Total Standard Deviation in ln(k): 2.698611929698069"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C +Total Standard Deviation in ln(k): 2.698611929698069""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C +Total Standard Deviation in ln(k): 2.698611929698069 +""", +) + +entry( + index = 2179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.11666e-06,'m^3/(mol*s)'), n=3.53109, w0=(421.5,'kJ/mol'), E0=(26.5475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09447525076131676, var=1.9669813731358288, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.048998168393101"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.048998168393101""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.048998168393101 +""", +) + +entry( + index = 2180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.10967e-05,'m^3/(mol*s)'), n=3.3018, w0=(421.5,'kJ/mol'), E0=(29.3349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07542209753221067, var=3.8011690907093976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 4.098051965191763"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.098051965191763""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.098051965191763 +""", +) + +entry( + index = 2181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.80364e-05,'m^3/(mol*s)'), n=3.27168, w0=(421.5,'kJ/mol'), E0=(29.506,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_N-5R!H->C", + kinetics = ArrheniusBM(A=(4.25003e-05,'m^3/(mol*s)'), n=3.10722, w0=(421.5,'kJ/mol'), E0=(28.7476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_Ext-3C-R_N-1BrCClHINOPSSi->Br_N-1CClHO->C_N-1ClHO->Cl_N-1HO->O_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(0.103286,'m^3/(mol*s)'), n=2.13875, w0=(419.5,'kJ/mol'), E0=(-4.30274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(4.86108e-07,'m^3/(mol*s)'), n=3.65367, w0=(416.236,'kJ/mol'), E0=(40.7064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24612454795243668, var=3.7342096237692384, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 4.492374128306602"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 4.492374128306602""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 4.492374128306602 +""", +) + +entry( + index = 2185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_1BrCHO->Br", + kinetics = ArrheniusBM(A=(822013,'m^3/(mol*s)'), n=-0.258596, w0=(386.5,'kJ/mol'), E0=(32.1138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_1BrCHO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_1BrCHO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_1BrCHO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_1BrCHO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br", + kinetics = ArrheniusBM(A=(4.33211e-07,'m^3/(mol*s)'), n=3.6691, w0=(417.086,'kJ/mol'), E0=(40.6821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24570246140757204, var=3.732182302127593, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br + Total Standard Deviation in ln(k): 4.490261867245003"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br +Total Standard Deviation in ln(k): 4.490261867245003""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br +Total Standard Deviation in ln(k): 4.490261867245003 +""", +) + +entry( + index = 2187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(3.19018e-08,'m^3/(mol*s)'), n=3.9823, w0=(415.138,'kJ/mol'), E0=(38.6623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22632857416560953, var=3.5304470629412887, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R + Total Standard Deviation in ln(k): 4.335458510941898"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R +Total Standard Deviation in ln(k): 4.335458510941898""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R +Total Standard Deviation in ln(k): 4.335458510941898 +""", +) + +entry( + index = 2188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O", + kinetics = ArrheniusBM(A=(1.13173e-09,'m^3/(mol*s)'), n=4.41103, w0=(419,'kJ/mol'), E0=(35.7107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3570824964634799, var=5.558697009589862, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O + Total Standard Deviation in ln(k): 5.623733867264126"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O +Total Standard Deviation in ln(k): 5.623733867264126""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O +Total Standard Deviation in ln(k): 5.623733867264126 +""", +) + +entry( + index = 2189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0", + kinetics = ArrheniusBM(A=(8.49423e-08,'m^3/(mol*s)'), n=3.92703, w0=(415.8,'kJ/mol'), E0=(43.6252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2946446456002562, var=7.335995808172757, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0 + Total Standard Deviation in ln(k): 6.170146855474686"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0 +Total Standard Deviation in ln(k): 6.170146855474686""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0 +Total Standard Deviation in ln(k): 6.170146855474686 +""", +) + +entry( + index = 2190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO", + kinetics = ArrheniusBM(A=(5.91848e-06,'m^3/(mol*s)'), n=3.19345, w0=(423,'kJ/mol'), E0=(48.8968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11934619585434818, var=5.868343057749959, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO + Total Standard Deviation in ln(k): 5.156268013510576"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO +Total Standard Deviation in ln(k): 5.156268013510576""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO +Total Standard Deviation in ln(k): 5.156268013510576 +""", +) + +entry( + index = 2191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_1CHO->O", + kinetics = ArrheniusBM(A=(3.64743e-11,'m^3/(mol*s)'), n=4.71135, w0=(435,'kJ/mol'), E0=(28.1787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_1CHO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_1CHO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_N-1CHO->O", + kinetics = ArrheniusBM(A=(2.40192e-13,'m^3/(mol*s)'), n=5.28616, w0=(411,'kJ/mol'), E0=(35.2958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_N-1CHO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_N-1CHO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_N-1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_Sp-5O-1CHO_N-1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO", + kinetics = ArrheniusBM(A=(1.93641e-07,'m^3/(mol*s)'), n=4.02195, w0=(411,'kJ/mol'), E0=(44.0999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5883361774672369, var=6.509567427579427, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO + Total Standard Deviation in ln(k): 6.59308339653259"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO +Total Standard Deviation in ln(k): 6.59308339653259""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO +Total Standard Deviation in ln(k): 6.59308339653259 +""", +) + +entry( + index = 2194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(3.45362e-12,'m^3/(mol*s)'), n=5.35965, w0=(411,'kJ/mol'), E0=(34.3877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO_Ext-1CHO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO_Ext-1CHO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_5O-u0_N-Sp-5O-1CHO_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_N-5O-u0", + kinetics = ArrheniusBM(A=(4.66492e-05,'m^3/(mol*s)'), n=2.87111, w0=(435,'kJ/mol'), E0=(46.8416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_N-5O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_N-5O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_N-5O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_5R!H->O_N-5O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(3.96361e-06,'m^3/(mol*s)'), n=3.3792, w0=(414.13,'kJ/mol'), E0=(43.6282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2690612627576961, var=3.636917758372662, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O + Total Standard Deviation in ln(k): 4.499204379705686"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O +Total Standard Deviation in ln(k): 4.499204379705686""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O +Total Standard Deviation in ln(k): 4.499204379705686 +""", +) + +entry( + index = 2197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi", + kinetics = ArrheniusBM(A=(0.000755601,'m^3/(mol*s)'), n=2.82747, w0=(411,'kJ/mol'), E0=(47.3408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029341488156543284, var=6.650971442919813, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi + Total Standard Deviation in ln(k): 5.243829328134363"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 5.243829328134363""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 5.243829328134363 +""", +) + +entry( + index = 2198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(0.0161565,'m^3/(mol*s)'), n=2.43247, w0=(411,'kJ/mol'), E0=(48.6302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2738880733957576, var=15.665885418043494, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R + Total Standard Deviation in ln(k): 8.62293317394136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 8.62293317394136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 8.62293317394136 +""", +) + +entry( + index = 2199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(4.34877e-07,'m^3/(mol*s)'), n=3.90066, w0=(411,'kJ/mol'), E0=(32.5801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_Ext-1CHO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_Ext-1CHO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi", + kinetics = ArrheniusBM(A=(1.1535e-08,'m^3/(mol*s)'), n=4.08985, w0=(414.6,'kJ/mol'), E0=(37.6663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20022474732372333, var=3.884203325587375, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi + Total Standard Deviation in ln(k): 4.4540857844836275"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 4.4540857844836275""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi +Total Standard Deviation in ln(k): 4.4540857844836275 +""", +) + +entry( + index = 2201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(1.88807e-12,'m^3/(mol*s)'), n=5.26328, w0=(411,'kJ/mol'), E0=(30.9343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12080883178436992, var=2.840404518548936, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R + Total Standard Deviation in ln(k): 3.682219979213649"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R +Total Standard Deviation in ln(k): 3.682219979213649""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R +Total Standard Deviation in ln(k): 3.682219979213649 +""", +) + +entry( + index = 2202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(1.91254e-13,'m^3/(mol*s)'), n=5.56919, w0=(411,'kJ/mol'), E0=(29.9364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10605163014058382, var=3.128188294977142, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F + Total Standard Deviation in ln(k): 3.8121731826784933"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 3.8121731826784933""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 3.8121731826784933 +""", +) + +entry( + index = 2203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C", + kinetics = ArrheniusBM(A=(3.66907e-12,'m^3/(mol*s)'), n=5.22065, w0=(411,'kJ/mol'), E0=(32.903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1450819860471997, var=2.685996621965822, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C + Total Standard Deviation in ln(k): 3.6500900082664796"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C +Total Standard Deviation in ln(k): 3.6500900082664796""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C +Total Standard Deviation in ln(k): 3.6500900082664796 +""", +) + +entry( + index = 2204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(4.16657e-12,'m^3/(mol*s)'), n=5.17848, w0=(411,'kJ/mol'), E0=(32.6698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14203507470269838, var=3.519030605761126, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 4.117570499694883"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 4.117570499694883""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 4.117570499694883 +""", +) + +entry( + index = 2205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.2835e-11,'m^3/(mol*s)'), n=5.07917, w0=(411,'kJ/mol'), E0=(32.5641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15039023516726902, var=4.03777815236748, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 4.406224368702327"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 4.406224368702327""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 4.406224368702327 +""", +) + +entry( + index = 2206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Br", + kinetics = ArrheniusBM(A=(7.96768e-13,'m^3/(mol*s)'), n=5.59032, w0=(411,'kJ/mol'), E0=(28.4144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br", + kinetics = ArrheniusBM(A=(2.38057e-11,'m^3/(mol*s)'), n=4.96924, w0=(411,'kJ/mol'), E0=(33.4609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19025468573661905, var=4.547492501367703, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br + Total Standard Deviation in ln(k): 4.75309443639893"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 4.75309443639893""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br +Total Standard Deviation in ln(k): 4.75309443639893 +""", +) + +entry( + index = 2208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.58596e-12,'m^3/(mol*s)'), n=5.14286, w0=(411,'kJ/mol'), E0=(32.3693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13634049278131366, var=2.060488910849132, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R + Total Standard Deviation in ln(k): 3.2202416122238526"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R +Total Standard Deviation in ln(k): 3.2202416122238526""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R +Total Standard Deviation in ln(k): 3.2202416122238526 +""", +) + +entry( + index = 2209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_7ClF->Cl", + kinetics = ArrheniusBM(A=(9.53186e-13,'m^3/(mol*s)'), n=5.41069, w0=(411,'kJ/mol'), E0=(31.3551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_7ClF->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_7ClF->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_7ClF->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl", + kinetics = ArrheniusBM(A=(4.58117e-12,'m^3/(mol*s)'), n=4.99988, w0=(411,'kJ/mol'), E0=(32.9545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19769811744169688, var=0.6429852027554079, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl + Total Standard Deviation in ln(k): 2.104252986687884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl +Total Standard Deviation in ln(k): 2.104252986687884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl +Total Standard Deviation in ln(k): 2.104252986687884 +""", +) + +entry( + index = 2211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(1.42481e-12,'m^3/(mol*s)'), n=5.18117, w0=(411,'kJ/mol'), E0=(31.3411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl_Ext-1CHO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl_Ext-1CHO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-6C-R_N-7ClF->Cl_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(4.47752e-10,'m^3/(mol*s)'), n=4.92572, w0=(411,'kJ/mol'), E0=(31.7739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-1CHO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-1CHO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Br_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(7.94614e-13,'m^3/(mol*s)'), n=5.25545, w0=(411,'kJ/mol'), E0=(32.2797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-1CHO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-1CHO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-6C-R_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(1.0913e-12,'m^3/(mol*s)'), n=5.46206, w0=(411,'kJ/mol'), E0=(31.274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-1CHO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-1CHO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_6R!H->C_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C", + kinetics = ArrheniusBM(A=(5.66155e-24,'m^3/(mol*s)'), n=8.49056, w0=(411,'kJ/mol'), E0=(-6.6434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12696202615127708, var=30.969836202001, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C + Total Standard Deviation in ln(k): 11.475460860537634"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C +Total Standard Deviation in ln(k): 11.475460860537634""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C +Total Standard Deviation in ln(k): 11.475460860537634 +""", +) + +entry( + index = 2216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C_Ext-1CHO-R", + kinetics = ArrheniusBM(A=(3.13613e-11,'m^3/(mol*s)'), n=4.50111, w0=(411,'kJ/mol'), E0=(33.3979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C_Ext-1CHO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C_Ext-1CHO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_5BrCClFINPSSi->F_N-6R!H->C_Ext-1CHO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_N-5BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(1.96392e-07,'m^3/(mol*s)'), n=3.57387, w0=(411,'kJ/mol'), E0=(25.2725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_N-5BrCClFINPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_N-5BrCClFINPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_N-5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-1CHO-R_N-5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(0.132002,'m^3/(mol*s)'), n=1.89693, w0=(419,'kJ/mol'), E0=(49.0053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3003761765103886, var=11.346859512504682, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R + Total Standard Deviation in ln(k): 7.507684134868409"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 7.507684134868409""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 7.507684134868409 +""", +) + +entry( + index = 2219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_6R!H->O", + kinetics = ArrheniusBM(A=(1.41847e-10,'m^3/(mol*s)'), n=4.65506, w0=(411,'kJ/mol'), E0=(38.6563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(5.92295,'m^3/(mol*s)'), n=1.37745, w0=(420.6,'kJ/mol'), E0=(50.2101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34923561516632784, var=17.10832727710101, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O + Total Standard Deviation in ln(k): 9.16950450176135"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O +Total Standard Deviation in ln(k): 9.16950450176135""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O +Total Standard Deviation in ln(k): 9.16950450176135 +""", +) + +entry( + index = 2221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(2.37867e+07,'m^3/(mol*s)'), n=-0.671684, w0=(419,'kJ/mol'), E0=(64.7827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46979929445286184, var=81.48979670347404, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R + Total Standard Deviation in ln(k): 19.277484418757822"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 19.277484418757822""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 19.277484418757822 +""", +) + +entry( + index = 2222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(200000,'m^3/(mol*s)'), n=5.7111e-09, w0=(411,'kJ/mol'), E0=(42.2137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_1CHO->O", + kinetics = ArrheniusBM(A=(3.62752e-05,'m^3/(mol*s)'), n=3.02511, w0=(435,'kJ/mol'), E0=(20.6248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_1CHO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_1CHO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_N-1CHO->O", + kinetics = ArrheniusBM(A=(1.02821e-09,'m^3/(mol*s)'), n=3.69947, w0=(411,'kJ/mol'), E0=(34.7525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_N-1CHO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_N-1CHO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_N-1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_Ext-5BrCClFINPSSi-R_N-1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_1CHO->O", + kinetics = ArrheniusBM(A=(1.3923e-09,'m^3/(mol*s)'), n=4.25832, w0=(435,'kJ/mol'), E0=(16.6149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_1CHO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_1CHO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_N-1CHO->O", + kinetics = ArrheniusBM(A=(8.02518e-11,'m^3/(mol*s)'), n=4.69617, w0=(411,'kJ/mol'), E0=(37.4224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_N-1CHO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_N-1CHO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_N-1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_Ext-1CHO-R_N-5R!H->O_N-Sp-5BrBrCCCClClFFHIINNOPPSSSiSi=1BrBrCCCCClClFFHHIINNOOPPSSSiSi_Ext-5BrCClFINPSSi-R_N-6R!H->O_N-1CHO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_1CHO->C", + kinetics = ArrheniusBM(A=(2.75885e-11,'m^3/(mol*s)'), n=5.25256, w0=(411,'kJ/mol'), E0=(42.9207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_1CHO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_1CHO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_1CHO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_1CHO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C", + kinetics = ArrheniusBM(A=(1.44731e+08,'m^3/(mol*s)'), n=-0.52414, w0=(429.6,'kJ/mol'), E0=(61.4668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5651201233886535, var=3.597611503552304, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C + Total Standard Deviation in ln(k): 5.222355139491236"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C +Total Standard Deviation in ln(k): 5.222355139491236""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C +Total Standard Deviation in ln(k): 5.222355139491236 +""", +) + +entry( + index = 2229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0", + kinetics = ArrheniusBM(A=(6.79839e+07,'m^3/(mol*s)'), n=-0.402599, w0=(426,'kJ/mol'), E0=(61.4754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6733899492234398, var=3.8898580766488435, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0 + Total Standard Deviation in ln(k): 5.64581803384332"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0 +Total Standard Deviation in ln(k): 5.64581803384332""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0 +Total Standard Deviation in ln(k): 5.64581803384332 +""", +) + +entry( + index = 2230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_1HO->O", + kinetics = ArrheniusBM(A=(7.42108e-05,'m^3/(mol*s)'), n=3.07677, w0=(435,'kJ/mol'), E0=(26.943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_1HO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_1HO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_1HO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_1HO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_N-1HO->O", + kinetics = ArrheniusBM(A=(1.04335e+12,'m^3/(mol*s)'), n=-1.65013, w0=(421.5,'kJ/mol'), E0=(70.0763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.226352609978505, var=107.63191720736187, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_N-1HO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_N-1HO->O + Total Standard Deviation in ln(k): 36.442387153668506"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_N-1HO->O +Total Standard Deviation in ln(k): 36.442387153668506""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_1HO-u0_N-1HO->O +Total Standard Deviation in ln(k): 36.442387153668506 +""", +) + +entry( + index = 2232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_N-1HO-u0", + kinetics = ArrheniusBM(A=(1.03833,'m^3/(mol*s)'), n=1.45841, w0=(435,'kJ/mol'), E0=(30.8975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15601978335132669, var=23.68169874738695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_N-1HO-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_N-1HO-u0 + Total Standard Deviation in ln(k): 10.147821346113306"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_N-1HO-u0 +Total Standard Deviation in ln(k): 10.147821346113306""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_4R!H->F_N-1BrCClHINOPSSi->Cl_N-1BrCHO->Br_N-1CHO->C_N-1HO-u0 +Total Standard Deviation in ln(k): 10.147821346113306 +""", +) + +entry( + index = 2233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F", + kinetics = ArrheniusBM(A=(963512,'m^3/(mol*s)'), n=-0.167746, w0=(412.776,'kJ/mol'), E0=(28.9285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08690031189050294, var=6.156362934797452, Tref=1000.0, N=3449, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F',), comment="""BM rule fitted to 3449 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F + Total Standard Deviation in ln(k): 5.192495001971622"""), + rank = 11, + shortDesc = """BM rule fitted to 3449 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F +Total Standard Deviation in ln(k): 5.192495001971622""", + longDesc = +""" +BM rule fitted to 3449 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F +Total Standard Deviation in ln(k): 5.192495001971622 +""", +) + +entry( + index = 2234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br", + kinetics = ArrheniusBM(A=(8.63366e+12,'m^3/(mol*s)'), n=-1.94192, w0=(386.5,'kJ/mol'), E0=(37.6236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25405321865874403, var=7.9504525490577675, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br + Total Standard Deviation in ln(k): 6.290985325435653"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 6.290985325435653""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 6.290985325435653 +""", +) + +entry( + index = 2235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.16697e+12,'m^3/(mol*s)'), n=-1.81799, w0=(386.5,'kJ/mol'), E0=(40.5817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30328872608322355, var=28.242470859436455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R + Total Standard Deviation in ln(k): 11.415925057064392"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R +Total Standard Deviation in ln(k): 11.415925057064392""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R +Total Standard Deviation in ln(k): 11.415925057064392 +""", +) + +entry( + index = 2236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_4BrCClNOS->O", + kinetics = ArrheniusBM(A=(706667,'m^3/(mol*s)'), n=-0.0461876, w0=(386.5,'kJ/mol'), E0=(38.7849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_4BrCClNOS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_4BrCClNOS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_4BrCClNOS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_4BrCClNOS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_N-4BrCClNOS->O", + kinetics = ArrheniusBM(A=(1.27872e+09,'m^3/(mol*s)'), n=-0.960136, w0=(386.5,'kJ/mol'), E0=(3.865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_N-4BrCClNOS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_N-4BrCClNOS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_N-4BrCClNOS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_Ext-3C-R_N-4BrCClNOS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C", + kinetics = ArrheniusBM(A=(9.55389e+08,'m^3/(mol*s)'), n=-0.72723, w0=(386.5,'kJ/mol'), E0=(1.44598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1444912186845845, var=41.45256859090389, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C + Total Standard Deviation in ln(k): 13.270263267805559"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C +Total Standard Deviation in ln(k): 13.270263267805559""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C +Total Standard Deviation in ln(k): 13.270263267805559 +""", +) + +entry( + index = 2239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.49986e+10,'m^3/(mol*s)'), n=-1.57697, w0=(386.5,'kJ/mol'), E0=(0.360634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_4BrCClNOS->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C", + kinetics = ArrheniusBM(A=(310518,'m^3/(mol*s)'), n=0.234809, w0=(386.5,'kJ/mol'), E0=(6.17158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14554500850797347, var=0.29947997300391554, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C + Total Standard Deviation in ln(k): 1.462777504207706"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C +Total Standard Deviation in ln(k): 1.462777504207706""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C +Total Standard Deviation in ln(k): 1.462777504207706 +""", +) + +entry( + index = 2241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_4BrO->Br", + kinetics = ArrheniusBM(A=(3.5e+06,'m^3/(mol*s)'), n=-7.69272e-08, w0=(386.5,'kJ/mol'), E0=(27.1308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_4BrO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_4BrO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_4BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_4BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_N-4BrO->Br", + kinetics = ArrheniusBM(A=(2.58538e+07,'m^3/(mol*s)'), n=-0.382021, w0=(386.5,'kJ/mol'), E0=(6.49358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_N-4BrO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_N-4BrO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_N-4BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_1BrCClHINOPSSi->Br_N-4BrCClNOS->C_N-4BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br", + kinetics = ArrheniusBM(A=(962840,'m^3/(mol*s)'), n=-0.167665, w0=(412.822,'kJ/mol'), E0=(28.928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08688705724603688, var=6.1562300968878425, Tref=1000.0, N=3443, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br',), comment="""BM rule fitted to 3443 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br + Total Standard Deviation in ln(k): 5.192408034076123"""), + rank = 11, + shortDesc = """BM rule fitted to 3443 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 5.192408034076123""", + longDesc = +""" +BM rule fitted to 3443 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br +Total Standard Deviation in ln(k): 5.192408034076123 +""", +) + +entry( + index = 2244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl", + kinetics = ArrheniusBM(A=(1.23356e+08,'m^3/(mol*s)'), n=-0.813412, w0=(419.5,'kJ/mol'), E0=(19.2209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012971628790470272, var=1.883148349382311, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl + Total Standard Deviation in ln(k): 2.783646926579172"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl +Total Standard Deviation in ln(k): 2.783646926579172""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl +Total Standard Deviation in ln(k): 2.783646926579172 +""", +) + +entry( + index = 2245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl", + kinetics = ArrheniusBM(A=(115.005,'m^3/(mol*s)'), n=1.14706, w0=(419.5,'kJ/mol'), E0=(22.5956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13168341208162487, var=1.3371405472203515, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl + Total Standard Deviation in ln(k): 2.6490341117757503"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl +Total Standard Deviation in ln(k): 2.6490341117757503""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl +Total Standard Deviation in ln(k): 2.6490341117757503 +""", +) + +entry( + index = 2246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.47392,'m^3/(mol*s)'), n=1.6469, w0=(419.5,'kJ/mol'), E0=(17.6406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19435135936203482, var=0.8618999521921552, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R + Total Standard Deviation in ln(k): 2.3494873163214196"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 2.3494873163214196""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 2.3494873163214196 +""", +) + +entry( + index = 2247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(1.46835,'m^3/(mol*s)'), n=1.72326, w0=(419.5,'kJ/mol'), E0=(17.0706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18875843221632532, var=0.8580516588265246, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 2.3312751283552964"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 2.3312751283552964""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 2.3312751283552964 +""", +) + +entry( + index = 2248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0353617,'m^3/(mol*s)'), n=2.23076, w0=(419.5,'kJ/mol'), E0=(12.532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2802230025073004, var=1.784780690477243, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 3.382317443884084"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 3.382317443884084""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 3.382317443884084 +""", +) + +entry( + index = 2249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.600963,'m^3/(mol*s)'), n=1.87193, w0=(419.5,'kJ/mol'), E0=(23.3923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1830989354623438, var=6.16044329878552, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 7.948411031851456"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.948411031851456""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.948411031851456 +""", +) + +entry( + index = 2250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.304138,'m^3/(mol*s)'), n=1.96783, w0=(419.5,'kJ/mol'), E0=(23.7692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.2331374897914253, var=24.748885034776453, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 18.096667463720436"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 18.096667463720436""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 18.096667463720436 +""", +) + +entry( + index = 2251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->F", + kinetics = ArrheniusBM(A=(0.000551661,'m^3/(mol*s)'), n=2.79717, w0=(419.5,'kJ/mol'), E0=(-14.7888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->F", + kinetics = ArrheniusBM(A=(32.433,'m^3/(mol*s)'), n=0.849169, w0=(419.5,'kJ/mol'), E0=(26.1083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R_N-7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.0098651,'m^3/(mol*s)'), n=2.30509, w0=(419.5,'kJ/mol'), E0=(-92.1684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6981435983126568, var=1.5005175468600638, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 4.209842187713475"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.209842187713475""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 4.209842187713475 +""", +) + +entry( + index = 2254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00307984,'m^3/(mol*s)'), n=2.49882, w0=(419.5,'kJ/mol'), E0=(5.56026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09946688904017878, var=0.006734573625247476, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.41443428414257144"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.41443428414257144""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.41443428414257144 +""", +) + +entry( + index = 2255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00127162,'m^3/(mol*s)'), n=2.62711, w0=(419.5,'kJ/mol'), E0=(3.9464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(33911.7,'m^3/(mol*s)'), n=0.294609, w0=(419.5,'kJ/mol'), E0=(27.2992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05391351702299621, var=0.6010447382585675, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.6896735682219408"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.6896735682219408""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.6896735682219408 +""", +) + +entry( + index = 2257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(29470.6,'m^3/(mol*s)'), n=0.398287, w0=(419.5,'kJ/mol'), E0=(29.8296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl", + kinetics = ArrheniusBM(A=(1.25048e+08,'m^3/(mol*s)'), n=-0.815218, w0=(419.5,'kJ/mol'), E0=(19.2278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0129030299741634, var=1.883641127338807, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl + Total Standard Deviation in ln(k): 2.78383448907881"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl +Total Standard Deviation in ln(k): 2.78383448907881""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl +Total Standard Deviation in ln(k): 2.78383448907881 +""", +) + +entry( + index = 2259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O", + kinetics = ArrheniusBM(A=(2.93763e+11,'m^3/(mol*s)'), n=-1.80463, w0=(419.5,'kJ/mol'), E0=(26.3738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26729585519794924, var=5.307574784126908, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O + Total Standard Deviation in ln(k): 5.290141254470972"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O +Total Standard Deviation in ln(k): 5.290141254470972""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O +Total Standard Deviation in ln(k): 5.290141254470972 +""", +) + +entry( + index = 2260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.36907e+13,'m^3/(mol*s)'), n=-2.34411, w0=(419.5,'kJ/mol'), E0=(31.6808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2854343274703217, var=39.00172786817791, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R + Total Standard Deviation in ln(k): 13.237015555027575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 13.237015555027575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 13.237015555027575 +""", +) + +entry( + index = 2261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R_Ext-4O-R", + kinetics = ArrheniusBM(A=(24047.9,'m^3/(mol*s)'), n=-0.0894517, w0=(419.5,'kJ/mol'), E0=(9.48833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-3C-R_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-4O-R", + kinetics = ArrheniusBM(A=(224263,'m^3/(mol*s)'), n=-0.0167185, w0=(419.5,'kJ/mol'), E0=(4.47541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_4BrCNOS->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O", + kinetics = ArrheniusBM(A=(2.74282e+07,'m^3/(mol*s)'), n=-0.620897, w0=(419.5,'kJ/mol'), E0=(17.8881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10720878527489217, var=1.9315757562526348, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O + Total Standard Deviation in ln(k): 3.055572492452276"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O +Total Standard Deviation in ln(k): 3.055572492452276""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O +Total Standard Deviation in ln(k): 3.055572492452276 +""", +) + +entry( + index = 2264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(17655.6,'m^3/(mol*s)'), n=0.389304, w0=(419.5,'kJ/mol'), E0=(9.4229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3810822242663844, var=1.1028767606881729, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R + Total Standard Deviation in ln(k): 3.0628244955588646"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 3.0628244955588646""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 3.0628244955588646 +""", +) + +entry( + index = 2265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(51957.6,'m^3/(mol*s)'), n=0.266014, w0=(419.5,'kJ/mol'), E0=(14.8323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3706071450286286, var=10.222777755121081, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 9.853491829267053"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 9.853491829267053""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 9.853491829267053 +""", +) + +entry( + index = 2266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_4C-inRing", + kinetics = ArrheniusBM(A=(59494.1,'m^3/(mol*s)'), n=0.755465, w0=(419.5,'kJ/mol'), E0=(30.3407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(527.87,'m^3/(mol*s)'), n=0.833831, w0=(419.5,'kJ/mol'), E0=(4.80987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_Ext-3C-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_4C-inRing", + kinetics = ArrheniusBM(A=(4238.09,'m^3/(mol*s)'), n=1.17434, w0=(419.5,'kJ/mol'), E0=(26.2798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(86993.4,'m^3/(mol*s)'), n=0.187867, w0=(419.5,'kJ/mol'), E0=(10.8753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3482300060613289, var=1.5666646444297299, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing + Total Standard Deviation in ln(k): 3.3842059918640577"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing +Total Standard Deviation in ln(k): 3.3842059918640577""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing +Total Standard Deviation in ln(k): 3.3842059918640577 +""", +) + +entry( + index = 2270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(39361.6,'m^3/(mol*s)'), n=0.270813, w0=(419.5,'kJ/mol'), E0=(10.6029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41690705594667327, var=2.28868724185465, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 4.080350154622809"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 4.080350154622809""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 4.080350154622809 +""", +) + +entry( + index = 2271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(56067.2,'m^3/(mol*s)'), n=0.245317, w0=(419.5,'kJ/mol'), E0=(11.5847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4372111782882308, var=4.218225887493991, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.21590960353335"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.21590960353335""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.21590960353335 +""", +) + +entry( + index = 2272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(54736.9,'m^3/(mol*s)'), n=0.248711, w0=(419.5,'kJ/mol'), E0=(11.557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4364344133675553, var=4.236503037207076, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 5.222868408177882"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 5.222868408177882""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 5.222868408177882 +""", +) + +entry( + index = 2273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1210,'m^3/(mol*s)'), n=0.643948, w0=(419.5,'kJ/mol'), E0=(1.55488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-8C-R_Ext-8C-R", + kinetics = ArrheniusBM(A=(254.522,'m^3/(mol*s)'), n=0.813313, w0=(419.5,'kJ/mol'), E0=(4.6014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-8C-R_Ext-8C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-8C-R_Ext-8C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-8C-R_Ext-8C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_8R!H->C_Ext-8C-R_Ext-8C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1063.11,'m^3/(mol*s)'), n=0.546274, w0=(419.5,'kJ/mol'), E0=(-1.10189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-3C-R_N-4C-inRing_Ext-4C-R_Ext-6R!H-R_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.84418e+08,'m^3/(mol*s)'), n=-1.05716, w0=(419.5,'kJ/mol'), E0=(21.4557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05230910559738774, var=2.6724694948766383, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R + Total Standard Deviation in ln(k): 3.408708555727589"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R +Total Standard Deviation in ln(k): 3.408708555727589""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R +Total Standard Deviation in ln(k): 3.408708555727589 +""", +) + +entry( + index = 2277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_Sp-5R!H#4C", + kinetics = ArrheniusBM(A=(0.0617609,'m^3/(mol*s)'), n=1.99741, w0=(419.5,'kJ/mol'), E0=(18.9812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_Sp-5R!H#4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_Sp-5R!H#4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_Sp-5R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_Sp-5R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C", + kinetics = ArrheniusBM(A=(2.45598e+11,'m^3/(mol*s)'), n=-1.83062, w0=(419.5,'kJ/mol'), E0=(25.6284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08731875994950167, var=2.5893338913688386, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C + Total Standard Deviation in ln(k): 3.445294736624359"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C +Total Standard Deviation in ln(k): 3.445294736624359""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C +Total Standard Deviation in ln(k): 3.445294736624359 +""", +) + +entry( + index = 2279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(5.89746e+17,'m^3/(mol*s)'), n=-3.5969, w0=(419.5,'kJ/mol'), E0=(50.5491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04168657392716677, var=29.56059693652011, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.00441615729648"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.00441615729648""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.00441615729648 +""", +) + +entry( + index = 2280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(229191,'m^3/(mol*s)'), n=-0.304194, w0=(419.5,'kJ/mol'), E0=(14.6036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_Sp-5R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(1086.09,'m^3/(mol*s)'), n=0.545396, w0=(419.5,'kJ/mol'), E0=(-4.3286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2026878433860703, var=0.3353379350800459, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C + Total Standard Deviation in ln(k): 1.6701753503070889"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 1.6701753503070889""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 1.6701753503070889 +""", +) + +entry( + index = 2282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1257.99,'m^3/(mol*s)'), n=0.471013, w0=(419.5,'kJ/mol'), E0=(1.71218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05669320242458995, var=0.4744978372591176, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.523383001878991"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.523383001878991""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.523383001878991 +""", +) + +entry( + index = 2283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.09006e+06,'m^3/(mol*s)'), n=-0.38607, w0=(419.5,'kJ/mol'), E0=(12.1355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015162857137278923, var=0.18810792545374044, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.9075795121876344"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9075795121876344""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9075795121876344 +""", +) + +entry( + index = 2284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_4C-inRing", + kinetics = ArrheniusBM(A=(209859,'m^3/(mol*s)'), n=0.666783, w0=(419.5,'kJ/mol'), E0=(25.6428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(940.275,'m^3/(mol*s)'), n=0.489151, w0=(419.5,'kJ/mol'), E0=(3.69197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20079194745390486, var=0.0006344305396622734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing + Total Standard Deviation in ln(k): 0.5549974564757579"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 0.5549974564757579""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 0.5549974564757579 +""", +) + +entry( + index = 2286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(970.132,'m^3/(mol*s)'), n=0.489151, w0=(419.5,'kJ/mol'), E0=(4.00418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-5R!H-R_Ext-6R!H-R_N-4C-inRing_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1272.06,'m^3/(mol*s)'), n=0.563567, w0=(419.5,'kJ/mol'), E0=(4.69324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32045099375351654, var=0.13763293666925197, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R + Total Standard Deviation in ln(k): 1.5488881785297934"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 1.5488881785297934""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 1.5488881785297934 +""", +) + +entry( + index = 2288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C", + kinetics = ArrheniusBM(A=(1312.43,'m^3/(mol*s)'), n=0.559309, w0=(419.5,'kJ/mol'), E0=(4.71153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3257427470405884, var=0.12950057870648118, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C + Total Standard Deviation in ln(k): 1.5398768638145868"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 1.5398768638145868""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 1.5398768638145868 +""", +) + +entry( + index = 2289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(76.2361,'m^3/(mol*s)'), n=0.951374, w0=(419.5,'kJ/mol'), E0=(3.05283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.000538265,'m^3/(mol*s)'), n=2.66342, w0=(419.5,'kJ/mol'), E0=(-0.320835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2911670698352094, var=0.3352821251337113, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.8923883560036512"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.8923883560036512""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.8923883560036512 +""", +) + +entry( + index = 2291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(3178.46,'m^3/(mol*s)'), n=0.507252, w0=(419.5,'kJ/mol'), E0=(4.79639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_5R!H->Cl", + kinetics = ArrheniusBM(A=(0.0322808,'m^3/(mol*s)'), n=2.2886, w0=(419.5,'kJ/mol'), E0=(1.77619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_5R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_5R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(63482.2,'m^3/(mol*s)'), n=0.085073, w0=(419.5,'kJ/mol'), E0=(4.61528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009620846287548236, var=0.7243347428405037, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl + Total Standard Deviation in ln(k): 1.730360055918019"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl +Total Standard Deviation in ln(k): 1.730360055918019""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl +Total Standard Deviation in ln(k): 1.730360055918019 +""", +) + +entry( + index = 2294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_5CO->C", + kinetics = ArrheniusBM(A=(25492.2,'m^3/(mol*s)'), n=0.203367, w0=(419.5,'kJ/mol'), E0=(1.17437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_N-5CO->C", + kinetics = ArrheniusBM(A=(1023.67,'m^3/(mol*s)'), n=0.593882, w0=(419.5,'kJ/mol'), E0=(-0.926515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_N-5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_N-5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_1CClHINO->Cl_N-4BrCClNOS->Cl_N-4BrCNOS->O_Ext-4C-R_N-Sp-5R!H#4C_N-Sp-5R!H=4C_N-5R!H->Cl_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl", + kinetics = ArrheniusBM(A=(2.27543e+11,'m^3/(mol*s)'), n=-1.66017, w0=(412.733,'kJ/mol'), E0=(62.2786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3939745508820768, var=4.047352285279375, Tref=1000.0, N=3398, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl',), comment="""BM rule fitted to 3398 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl + Total Standard Deviation in ln(k): 5.0230183346665145"""), + rank = 11, + shortDesc = """BM rule fitted to 3398 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl +Total Standard Deviation in ln(k): 5.0230183346665145""", + longDesc = +""" +BM rule fitted to 3398 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl +Total Standard Deviation in ln(k): 5.0230183346665145 +""", +) + +entry( + index = 2297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H", + kinetics = ArrheniusBM(A=(7.3547e+08,'m^3/(mol*s)'), n=-1.16949, w0=(421.5,'kJ/mol'), E0=(49.5503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4768793132350375, var=4.108397015746468, Tref=1000.0, N=100, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H',), comment="""BM rule fitted to 100 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H + Total Standard Deviation in ln(k): 5.261623058955132"""), + rank = 11, + shortDesc = """BM rule fitted to 100 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H +Total Standard Deviation in ln(k): 5.261623058955132""", + longDesc = +""" +BM rule fitted to 100 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H +Total Standard Deviation in ln(k): 5.261623058955132 +""", +) + +entry( + index = 2298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S", + kinetics = ArrheniusBM(A=(2564.16,'m^3/(mol*s)'), n=0.284388, w0=(421.5,'kJ/mol'), E0=(57.9898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39690890867092393, var=7.088759884606074, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S + Total Standard Deviation in ln(k): 6.334810604708841"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S +Total Standard Deviation in ln(k): 6.334810604708841""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S +Total Standard Deviation in ln(k): 6.334810604708841 +""", +) + +entry( + index = 2299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.68649e-05,'m^3/(mol*s)'), n=3.44014, w0=(421.5,'kJ/mol'), E0=(44.0275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06402311902892431, var=0.5705677178137722, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R + Total Standard Deviation in ln(k): 1.6751574535259341"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R +Total Standard Deviation in ln(k): 1.6751574535259341""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R +Total Standard Deviation in ln(k): 1.6751574535259341 +""", +) + +entry( + index = 2300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0036388,'m^3/(mol*s)'), n=2.78047, w0=(421.5,'kJ/mol'), E0=(48.5059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1131653720781895, var=0.4219156156965754, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.5865114128787892"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.5865114128787892""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.5865114128787892 +""", +) + +entry( + index = 2301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00845101,'m^3/(mol*s)'), n=2.71563, w0=(421.5,'kJ/mol'), E0=(53.0815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07848809364429629, var=0.2627461613477664, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2248088296852508"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2248088296852508""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2248088296852508 +""", +) + +entry( + index = 2302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C", + kinetics = ArrheniusBM(A=(3.21728e-07,'m^3/(mol*s)'), n=3.9042, w0=(421.5,'kJ/mol'), E0=(33.2438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13740276090155637, var=0.19898376814031868, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C + Total Standard Deviation in ln(k): 1.2394972053818276"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C +Total Standard Deviation in ln(k): 1.2394972053818276""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C +Total Standard Deviation in ln(k): 1.2394972053818276 +""", +) + +entry( + index = 2303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_5R!H-inRing", + kinetics = ArrheniusBM(A=(2.6237e-08,'m^3/(mol*s)'), n=4.22062, w0=(421.5,'kJ/mol'), E0=(30.4043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2188742223328395, var=1.2802472013464372, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_5R!H-inRing + Total Standard Deviation in ln(k): 2.8182530642374397"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_5R!H-inRing +Total Standard Deviation in ln(k): 2.8182530642374397""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_5R!H-inRing +Total Standard Deviation in ln(k): 2.8182530642374397 +""", +) + +entry( + index = 2304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(3.01174e-08,'m^3/(mol*s)'), n=4.19591, w0=(421.5,'kJ/mol'), E0=(22.6966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19663679301538203, var=0.1135460689750762, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.1695898059645442"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.1695898059645442""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.1695898059645442 +""", +) + +entry( + index = 2305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_Sp-7C=5R!H", + kinetics = ArrheniusBM(A=(1.13e-08,'m^3/(mol*s)'), n=4.34, w0=(421.5,'kJ/mol'), E0=(25.9785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_Sp-7C=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_Sp-7C=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_Sp-7C=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_Sp-7C=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_N-Sp-7C=5R!H", + kinetics = ArrheniusBM(A=(5.39017e-08,'m^3/(mol*s)'), n=4.11243, w0=(421.5,'kJ/mol'), E0=(21.7535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11463417681170192, var=0.38407446547379265, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_N-Sp-7C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_N-Sp-7C=5R!H + Total Standard Deviation in ln(k): 1.530434907612842"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_N-Sp-7C=5R!H +Total Standard Deviation in ln(k): 1.530434907612842""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_7R!H->C_N-5R!H-inRing_N-Sp-7C=5R!H +Total Standard Deviation in ln(k): 1.530434907612842 +""", +) + +entry( + index = 2307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.00636e-07,'m^3/(mol*s)'), n=4.12096, w0=(421.5,'kJ/mol'), E0=(49.3663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2519605615271717, var=0.2490359645034302, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.63349977369628"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.63349977369628""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.63349977369628 +""", +) + +entry( + index = 2308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.09919e-05,'m^3/(mol*s)'), n=3.38163, w0=(421.5,'kJ/mol'), E0=(50.8176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002522261446057379, var=0.970606029334148, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.9813891011387015"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9813891011387015""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9813891011387015 +""", +) + +entry( + index = 2309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C", + kinetics = ArrheniusBM(A=(4.62318e-06,'m^3/(mol*s)'), n=3.63793, w0=(421.5,'kJ/mol'), E0=(41.7827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1605430298922578, var=0.4579291641033719, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C + Total Standard Deviation in ln(k): 1.7599879673743803"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 1.7599879673743803""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 1.7599879673743803 +""", +) + +entry( + index = 2310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_Sp-6C=5R!H", + kinetics = ArrheniusBM(A=(3.50453e-07,'m^3/(mol*s)'), n=4.04358, w0=(421.5,'kJ/mol'), E0=(42.3494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05418270256828974, var=0.305426737490452, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_Sp-6C=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_Sp-6C=5R!H + Total Standard Deviation in ln(k): 1.2440628359297807"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_Sp-6C=5R!H +Total Standard Deviation in ln(k): 1.2440628359297807""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_Sp-6C=5R!H +Total Standard Deviation in ln(k): 1.2440628359297807 +""", +) + +entry( + index = 2311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H", + kinetics = ArrheniusBM(A=(1.80663e-06,'m^3/(mol*s)'), n=3.71252, w0=(421.5,'kJ/mol'), E0=(38.2584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22684455497278966, var=0.7740566068029335, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H + Total Standard Deviation in ln(k): 2.3337368747328964"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H +Total Standard Deviation in ln(k): 2.3337368747328964""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H +Total Standard Deviation in ln(k): 2.3337368747328964 +""", +) + +entry( + index = 2312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_5R!H-inRing", + kinetics = ArrheniusBM(A=(6.67712e-07,'m^3/(mol*s)'), n=3.85498, w0=(421.5,'kJ/mol'), E0=(39.3001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2292093860024728, var=0.9000052848076948, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_5R!H-inRing + Total Standard Deviation in ln(k): 2.4777672487025617"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_5R!H-inRing +Total Standard Deviation in ln(k): 2.4777672487025617""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_5R!H-inRing +Total Standard Deviation in ln(k): 2.4777672487025617 +""", +) + +entry( + index = 2313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(3.80765e-07,'m^3/(mol*s)'), n=3.88766, w0=(421.5,'kJ/mol'), E0=(32.8019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2549383329810679, var=3.4051273773717123, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_N-5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_N-5R!H-inRing + Total Standard Deviation in ln(k): 4.339883653742662"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_N-5R!H-inRing +Total Standard Deviation in ln(k): 4.339883653742662""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_6R!H->C_N-Sp-6C=5R!H_N-5R!H-inRing +Total Standard Deviation in ln(k): 4.339883653742662 +""", +) + +entry( + index = 2314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.44981e-07,'m^3/(mol*s)'), n=4.33778, w0=(421.5,'kJ/mol'), E0=(59.9054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45037626208743914, var=5.356002958278303, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_N-6R!H->C + Total Standard Deviation in ln(k): 5.7711650370313725"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 5.7711650370313725""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-3C-R_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 5.7711650370313725 +""", +) + +entry( + index = 2315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R", + kinetics = ArrheniusBM(A=(0.519042,'m^3/(mol*s)'), n=1.2629, w0=(421.5,'kJ/mol'), E0=(49.6964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05943957976663774, var=5.107612656153101, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R + Total Standard Deviation in ln(k): 4.680052566039009"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R +Total Standard Deviation in ln(k): 4.680052566039009""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R +Total Standard Deviation in ln(k): 4.680052566039009 +""", +) + +entry( + index = 2316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R", + kinetics = ArrheniusBM(A=(5.77328e-06,'m^3/(mol*s)'), n=2.63131, w0=(421.5,'kJ/mol'), E0=(41.1789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07567318127637344, var=2.1612155665240516, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R + Total Standard Deviation in ln(k): 3.1373093565583994"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 3.1373093565583994""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 3.1373093565583994 +""", +) + +entry( + index = 2317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R", + kinetics = ArrheniusBM(A=(6.38551e-06,'m^3/(mol*s)'), n=2.63631, w0=(421.5,'kJ/mol'), E0=(46.6593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_4BrCClNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S", + kinetics = ArrheniusBM(A=(1.17268e+09,'m^3/(mol*s)'), n=-1.22309, w0=(421.5,'kJ/mol'), E0=(49.1594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5396441899324584, var=3.6830000772616174, Tref=1000.0, N=75, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S',), comment="""BM rule fitted to 75 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S + Total Standard Deviation in ln(k): 5.203205878085242"""), + rank = 11, + shortDesc = """BM rule fitted to 75 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S +Total Standard Deviation in ln(k): 5.203205878085242""", + longDesc = +""" +BM rule fitted to 75 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S +Total Standard Deviation in ln(k): 5.203205878085242 +""", +) + +entry( + index = 2319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_4BrCClNO->Br", + kinetics = ArrheniusBM(A=(0.000650657,'m^3/(mol*s)'), n=2.55294, w0=(421.5,'kJ/mol'), E0=(39.6274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_4BrCClNO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_4BrCClNO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_4BrCClNO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_4BrCClNO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br", + kinetics = ArrheniusBM(A=(1.19047e+09,'m^3/(mol*s)'), n=-1.22516, w0=(421.5,'kJ/mol'), E0=(49.1608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5401986071404824, var=3.6880814149044623, Tref=1000.0, N=74, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br',), comment="""BM rule fitted to 74 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br + Total Standard Deviation in ln(k): 5.207251991308644"""), + rank = 11, + shortDesc = """BM rule fitted to 74 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br +Total Standard Deviation in ln(k): 5.207251991308644""", + longDesc = +""" +BM rule fitted to 74 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br +Total Standard Deviation in ln(k): 5.207251991308644 +""", +) + +entry( + index = 2321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N", + kinetics = ArrheniusBM(A=(2.69762e+10,'m^3/(mol*s)'), n=-1.10207, w0=(421.5,'kJ/mol'), E0=(52.1845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31917501496235284, var=8.981542618397562, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N + Total Standard Deviation in ln(k): 6.809982314122533"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N +Total Standard Deviation in ln(k): 6.809982314122533""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N +Total Standard Deviation in ln(k): 6.809982314122533 +""", +) + +entry( + index = 2322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.62836e+07,'m^3/(mol*s)'), n=-0.676575, w0=(421.5,'kJ/mol'), E0=(39.0564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(348646,'m^3/(mol*s)'), n=0.318998, w0=(421.5,'kJ/mol'), E0=(27.7562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_4CClNO->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N", + kinetics = ArrheniusBM(A=(222195,'m^3/(mol*s)'), n=-0.209325, w0=(421.5,'kJ/mol'), E0=(39.8139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32579655825301684, var=1.7823676693225734, Tref=1000.0, N=71, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N',), comment="""BM rule fitted to 71 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N + Total Standard Deviation in ln(k): 3.495012764817599"""), + rank = 11, + shortDesc = """BM rule fitted to 71 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N +Total Standard Deviation in ln(k): 3.495012764817599""", + longDesc = +""" +BM rule fitted to 71 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N +Total Standard Deviation in ln(k): 3.495012764817599 +""", +) + +entry( + index = 2325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.30874,'m^3/(mol*s)'), n=1.73798, w0=(421.5,'kJ/mol'), E0=(32.2921,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3182783875677218, var=4.479595281111301, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R + Total Standard Deviation in ln(k): 7.5552899539455955"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R +Total Standard Deviation in ln(k): 7.5552899539455955""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R +Total Standard Deviation in ln(k): 7.5552899539455955 +""", +) + +entry( + index = 2326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.20564e-07,'m^3/(mol*s)'), n=3.8582, w0=(421.5,'kJ/mol'), E0=(6.17639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4028479733774542, var=3.0543823160997237, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 4.515814479040143"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.515814479040143""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.515814479040143 +""", +) + +entry( + index = 2327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_4CClO->O", + kinetics = ArrheniusBM(A=(1.4301,'m^3/(mol*s)'), n=1.84683, w0=(421.5,'kJ/mol'), E0=(28.965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_4CClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_4CClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_4CClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_4CClO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O", + kinetics = ArrheniusBM(A=(1.29912e-07,'m^3/(mol*s)'), n=3.84619, w0=(421.5,'kJ/mol'), E0=(14.6785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46488450719972524, var=4.104252134842531, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O + Total Standard Deviation in ln(k): 5.229435078882258"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O +Total Standard Deviation in ln(k): 5.229435078882258""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O +Total Standard Deviation in ln(k): 5.229435078882258 +""", +) + +entry( + index = 2329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C", + kinetics = ArrheniusBM(A=(1.05464e-07,'m^3/(mol*s)'), n=3.87347, w0=(421.5,'kJ/mol'), E0=(15.2975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4920430528883953, var=4.1916779577162915, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C + Total Standard Deviation in ln(k): 5.340701031892447"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C +Total Standard Deviation in ln(k): 5.340701031892447""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C +Total Standard Deviation in ln(k): 5.340701031892447 +""", +) + +entry( + index = 2330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.10517e-07,'m^3/(mol*s)'), n=3.86525, w0=(421.5,'kJ/mol'), E0=(14.6785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4907271095716807, var=4.315254996835614, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R + Total Standard Deviation in ln(k): 5.39745732470445"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.39745732470445""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.39745732470445 +""", +) + +entry( + index = 2331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O", + kinetics = ArrheniusBM(A=(5.95808e-06,'m^3/(mol*s)'), n=3.34499, w0=(421.5,'kJ/mol'), E0=(6.0435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4112917539032502, var=0.781239320419495, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O + Total Standard Deviation in ln(k): 2.805336465012589"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O +Total Standard Deviation in ln(k): 2.805336465012589""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O +Total Standard Deviation in ln(k): 2.805336465012589 +""", +) + +entry( + index = 2332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_Sp-7O-4C", + kinetics = ArrheniusBM(A=(0.000504483,'m^3/(mol*s)'), n=2.99594, w0=(421.5,'kJ/mol'), E0=(26.7291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_Sp-7O-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_Sp-7O-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_Sp-7O-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_Sp-7O-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_N-Sp-7O-4C", + kinetics = ArrheniusBM(A=(66.3366,'m^3/(mol*s)'), n=1.25736, w0=(421.5,'kJ/mol'), E0=(37.1856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06206651278409224, var=1.1622813056774963e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_N-Sp-7O-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_N-Sp-7O-4C + Total Standard Deviation in ln(k): 0.15595284661267556"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_N-Sp-7O-4C +Total Standard Deviation in ln(k): 0.15595284661267556""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_7R!H->O_N-Sp-7O-4C +Total Standard Deviation in ln(k): 0.15595284661267556 +""", +) + +entry( + index = 2334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(0.382556,'m^3/(mol*s)'), n=2.05372, w0=(421.5,'kJ/mol'), E0=(56.9193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09032683522645142, var=7.411500466277818, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O + Total Standard Deviation in ln(k): 5.684656873346954"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O +Total Standard Deviation in ln(k): 5.684656873346954""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O +Total Standard Deviation in ln(k): 5.684656873346954 +""", +) + +entry( + index = 2335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.00316e-07,'m^3/(mol*s)'), n=3.92231, w0=(421.5,'kJ/mol'), E0=(44.8582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1968822296319999, var=23.51438029272837, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R + Total Standard Deviation in ln(k): 10.215965819341568"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 10.215965819341568""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 10.215965819341568 +""", +) + +entry( + index = 2336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + kinetics = ArrheniusBM(A=(7.66406e-08,'m^3/(mol*s)'), n=4.16464, w0=(421.5,'kJ/mol'), E0=(47.4936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2954269388709924, var=78.52517708589517, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + Total Standard Deviation in ln(k): 18.507124929825707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 18.507124929825707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 18.507124929825707 +""", +) + +entry( + index = 2337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + kinetics = ArrheniusBM(A=(1.96563e-08,'m^3/(mol*s)'), n=4.18918, w0=(421.5,'kJ/mol'), E0=(35.745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12363442658616905, var=64.46495718501916, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + Total Standard Deviation in ln(k): 16.40667170410137"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 16.40667170410137""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Ext-5R!H-R_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 16.40667170410137 +""", +) + +entry( + index = 2338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + kinetics = ArrheniusBM(A=(19255.5,'m^3/(mol*s)'), n=0.922805, w0=(421.5,'kJ/mol'), E0=(79.3032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0026795090319734166, var=42.770483091951725, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + Total Standard Deviation in ln(k): 13.117528654415896"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 13.117528654415896""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 13.117528654415896 +""", +) + +entry( + index = 2339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_7BrCClFINPSSi->S", + kinetics = ArrheniusBM(A=(2.00106e-09,'m^3/(mol*s)'), n=4.53271, w0=(421.5,'kJ/mol'), E0=(55.9887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4491715642123197, var=139.57090464997287, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_7BrCClFINPSSi->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_7BrCClFINPSSi->S + Total Standard Deviation in ln(k): 24.81253816133198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_7BrCClFINPSSi->S +Total Standard Deviation in ln(k): 24.81253816133198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_7BrCClFINPSSi->S +Total Standard Deviation in ln(k): 24.81253816133198 +""", +) + +entry( + index = 2340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-7BrCClFINPSSi->S", + kinetics = ArrheniusBM(A=(2.9289e-08,'m^3/(mol*s)'), n=4.41878, w0=(421.5,'kJ/mol'), E0=(33.3281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45413897872161085, var=68.95410606971322, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-7BrCClFINPSSi->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-7BrCClFINPSSi->S + Total Standard Deviation in ln(k): 17.78809396132583"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-7BrCClFINPSSi->S +Total Standard Deviation in ln(k): 17.78809396132583""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-7BrCClFINPSSi->S +Total Standard Deviation in ln(k): 17.78809396132583 +""", +) + +entry( + index = 2341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C", + kinetics = ArrheniusBM(A=(0.00180525,'m^3/(mol*s)'), n=2.63758, w0=(421.5,'kJ/mol'), E0=(46.6126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.294745417398301, var=1.8816131916955046, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C + Total Standard Deviation in ln(k): 3.490499700147279"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 3.490499700147279""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C +Total Standard Deviation in ln(k): 3.490499700147279 +""", +) + +entry( + index = 2342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C", + kinetics = ArrheniusBM(A=(0.0398515,'m^3/(mol*s)'), n=2.28908, w0=(421.5,'kJ/mol'), E0=(48.5361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23926755317561163, var=5.03647428220328, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C + Total Standard Deviation in ln(k): 5.100219370134504"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C +Total Standard Deviation in ln(k): 5.100219370134504""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C +Total Standard Deviation in ln(k): 5.100219370134504 +""", +) + +entry( + index = 2343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(1.02584e-07,'m^3/(mol*s)'), n=3.77481, w0=(421.5,'kJ/mol'), E0=(34.6448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2739268923147457, var=4.6445290961592045, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_4C-inRing + Total Standard Deviation in ln(k): 5.008697081970221"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_4C-inRing +Total Standard Deviation in ln(k): 5.008697081970221""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_4C-inRing +Total Standard Deviation in ln(k): 5.008697081970221 +""", +) + +entry( + index = 2344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(5.71707e-08,'m^3/(mol*s)'), n=4.07896, w0=(421.5,'kJ/mol'), E0=(19.3522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07070887539486484, var=5.513004509573685, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 4.884735979740099"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 4.884735979740099""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_5R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 4.884735979740099 +""", +) + +entry( + index = 2345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-5R!H->C", + kinetics = ArrheniusBM(A=(5.32653e-07,'m^3/(mol*s)'), n=3.63706, w0=(421.5,'kJ/mol'), E0=(37.6579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_4CCl->C_Ext-4C-R_N-7R!H->O_N-Sp-7BrBrCCClClFFIINNPPSSSiSi=4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_N-4CCl->C", + kinetics = ArrheniusBM(A=(3657.8,'m^3/(mol*s)'), n=0.792724, w0=(421.5,'kJ/mol'), E0=(27.1292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04617908898674893, var=4.859302417006513, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_N-4CCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_N-4CCl->C + Total Standard Deviation in ln(k): 4.535230879328262"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_N-4CCl->C +Total Standard Deviation in ln(k): 4.535230879328262""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_Ext-3C-R_N-4CClO->O_N-4CCl->C +Total Standard Deviation in ln(k): 4.535230879328262 +""", +) + +entry( + index = 2347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C", + kinetics = ArrheniusBM(A=(0.137807,'m^3/(mol*s)'), n=1.83171, w0=(421.5,'kJ/mol'), E0=(31.2658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.021227099919017, var=2.596504650571278, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C + Total Standard Deviation in ln(k): 5.796261831546385"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C +Total Standard Deviation in ln(k): 5.796261831546385""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C +Total Standard Deviation in ln(k): 5.796261831546385 +""", +) + +entry( + index = 2348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl", + kinetics = ArrheniusBM(A=(0.00279578,'m^3/(mol*s)'), n=2.50351, w0=(421.5,'kJ/mol'), E0=(29.6074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.061197809553553736, var=2.0737472326159394, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl + Total Standard Deviation in ln(k): 3.0406843371560774"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl +Total Standard Deviation in ln(k): 3.0406843371560774""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl +Total Standard Deviation in ln(k): 3.0406843371560774 +""", +) + +entry( + index = 2349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.000418716,'m^3/(mol*s)'), n=2.70245, w0=(421.5,'kJ/mol'), E0=(29.7541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_5R!H->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(0.147527,'m^3/(mol*s)'), n=1.82231, w0=(421.5,'kJ/mol'), E0=(31.3315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9880629894182266, var=2.7135931101627664, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl + Total Standard Deviation in ln(k): 5.784967874767665"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl +Total Standard Deviation in ln(k): 5.784967874767665""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl +Total Standard Deviation in ln(k): 5.784967874767665 +""", +) + +entry( + index = 2351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C", + kinetics = ArrheniusBM(A=(2704.98,'m^3/(mol*s)'), n=0.905538, w0=(421.5,'kJ/mol'), E0=(57.348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2920725075587868, var=1.3158977386154767, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C + Total Standard Deviation in ln(k): 3.0335339711753746"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C +Total Standard Deviation in ln(k): 3.0335339711753746""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C +Total Standard Deviation in ln(k): 3.0335339711753746 +""", +) + +entry( + index = 2352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(9882,'m^3/(mol*s)'), n=0.741226, w0=(421.5,'kJ/mol'), E0=(58.9162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3126452819711074, var=1.3094790502440032, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R + Total Standard Deviation in ln(k): 3.07960880283539"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.07960880283539""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.07960880283539 +""", +) + +entry( + index = 2353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(1956.72,'m^3/(mol*s)'), n=1.09989, w0=(421.5,'kJ/mol'), E0=(61.2783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6659071786929806, var=2.949914352088359, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C + Total Standard Deviation in ln(k): 5.116329200205582"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 5.116329200205582""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 5.116329200205582 +""", +) + +entry( + index = 2354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.13755e-07,'m^3/(mol*s)'), n=4.30782, w0=(421.5,'kJ/mol'), E0=(42.2701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41757719302786234, var=20.206448074615828, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_Ext-5C-R + Total Standard Deviation in ln(k): 10.060790434616058"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_Ext-5C-R +Total Standard Deviation in ln(k): 10.060790434616058""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_Ext-5C-R +Total Standard Deviation in ln(k): 10.060790434616058 +""", +) + +entry( + index = 2355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_6R!H->C", + kinetics = ArrheniusBM(A=(0.188336,'m^3/(mol*s)'), n=2.17535, w0=(421.5,'kJ/mol'), E0=(47.5025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.443370307077205, var=0.5636208266682596, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_6R!H->C + Total Standard Deviation in ln(k): 2.6190442826965636"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_6R!H->C +Total Standard Deviation in ln(k): 2.6190442826965636""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_6R!H->C +Total Standard Deviation in ln(k): 2.6190442826965636 +""", +) + +entry( + index = 2356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C", + kinetics = ArrheniusBM(A=(6.59247e-07,'m^3/(mol*s)'), n=4.05279, w0=(421.5,'kJ/mol'), E0=(36.3458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003180549259938688, var=2.794325555991447, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C + Total Standard Deviation in ln(k): 3.359153854432586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C +Total Standard Deviation in ln(k): 3.359153854432586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C +Total Standard Deviation in ln(k): 3.359153854432586 +""", +) + +entry( + index = 2357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(2.72587,'m^3/(mol*s)'), n=1.67269, w0=(421.5,'kJ/mol'), E0=(46.8365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2624504648659676, var=0.6166718935446699, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C + Total Standard Deviation in ln(k): 2.233710849849606"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 2.233710849849606""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 2.233710849849606 +""", +) + +entry( + index = 2358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.6162e-06,'m^3/(mol*s)'), n=3.79212, w0=(421.5,'kJ/mol'), E0=(39.8792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30978457735834497, var=9.825020474957656, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-5C-R + Total Standard Deviation in ln(k): 7.062172996451045"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-5C-R +Total Standard Deviation in ln(k): 7.062172996451045""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_Ext-5C-R +Total Standard Deviation in ln(k): 7.062172996451045 +""", +) + +entry( + index = 2359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.20201e-07,'m^3/(mol*s)'), n=3.98425, w0=(421.5,'kJ/mol'), E0=(39.096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12505806955693421, var=0.34436714652458345, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_4C-inRing + Total Standard Deviation in ln(k): 1.4906510079287374"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_4C-inRing +Total Standard Deviation in ln(k): 1.4906510079287374""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_4C-inRing +Total Standard Deviation in ln(k): 1.4906510079287374 +""", +) + +entry( + index = 2360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.693107,'m^3/(mol*s)'), n=1.81074, w0=(421.5,'kJ/mol'), E0=(43.6822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060733832127707416, var=0.4603753654830993, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_N-4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_N-4C-inRing + Total Standard Deviation in ln(k): 1.5128296939138899"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_N-4C-inRing +Total Standard Deviation in ln(k): 1.5128296939138899""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_5CO->C_Ext-4C-R_N-Sp-6R!H=4C_N-4C-inRing +Total Standard Deviation in ln(k): 1.5128296939138899 +""", +) + +entry( + index = 2361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_N-5CO->C", + kinetics = ArrheniusBM(A=(0.0265208,'m^3/(mol*s)'), n=2.0321, w0=(421.5,'kJ/mol'), E0=(29.1666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.237676216683182, var=9.443844964342603, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_N-5CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_N-5CO->C + Total Standard Deviation in ln(k): 11.783021242503791"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_N-5CO->C +Total Standard Deviation in ln(k): 11.783021242503791""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_4CClO->C_N-5R!H->Cl_N-5CO->C +Total Standard Deviation in ln(k): 11.783021242503791 +""", +) + +entry( + index = 2362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_N-4CClO->C", + kinetics = ArrheniusBM(A=(0.0019858,'m^3/(mol*s)'), n=2.5829, w0=(421.5,'kJ/mol'), E0=(27.6837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_N-4CClO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_N-4CClO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_N-4CClO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_Ext-3C-R_N-4CClO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_4CClO->Cl", + kinetics = ArrheniusBM(A=(0.000589564,'m^3/(mol*s)'), n=2.44081, w0=(421.5,'kJ/mol'), E0=(34.026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_4CClO->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_4CClO->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_4CClO->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_4CClO->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl", + kinetics = ArrheniusBM(A=(131815,'m^3/(mol*s)'), n=-0.276797, w0=(421.5,'kJ/mol'), E0=(35.5169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4263952515470501, var=0.6336278831075599, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl + Total Standard Deviation in ln(k): 2.6671289385398143"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl +Total Standard Deviation in ln(k): 2.6671289385398143""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl +Total Standard Deviation in ln(k): 2.6671289385398143 +""", +) + +entry( + index = 2365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C", + kinetics = ArrheniusBM(A=(2.49351,'m^3/(mol*s)'), n=1.39416, w0=(421.5,'kJ/mol'), E0=(42.3723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6650132152152874, var=5.879984569104803, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C + Total Standard Deviation in ln(k): 9.044668124488513"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C +Total Standard Deviation in ln(k): 9.044668124488513""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C +Total Standard Deviation in ln(k): 9.044668124488513 +""", +) + +entry( + index = 2366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_4C-inRing", + kinetics = ArrheniusBM(A=(7.89218,'m^3/(mol*s)'), n=1.40805, w0=(421.5,'kJ/mol'), E0=(39.5422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6440763461645195, var=2.17023687869013, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_4C-inRing + Total Standard Deviation in ln(k): 4.571602633933504"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_4C-inRing +Total Standard Deviation in ln(k): 4.571602633933504""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_4C-inRing +Total Standard Deviation in ln(k): 4.571602633933504 +""", +) + +entry( + index = 2367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.894104,'m^3/(mol*s)'), n=1.51916, w0=(421.5,'kJ/mol'), E0=(41.3298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7233254146187187, var=6.3072995116895925, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing + Total Standard Deviation in ln(k): 9.364722698882792"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing +Total Standard Deviation in ln(k): 9.364722698882792""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing +Total Standard Deviation in ln(k): 9.364722698882792 +""", +) + +entry( + index = 2368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.900301,'m^3/(mol*s)'), n=1.51646, w0=(421.5,'kJ/mol'), E0=(41.3519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7603713668930643, var=6.432030624816418, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 9.507342147770435"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 9.507342147770435""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 9.507342147770435 +""", +) + +entry( + index = 2369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.017753,'m^3/(mol*s)'), n=1.98579, w0=(421.5,'kJ/mol'), E0=(36.9048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6444957524052457, var=5.186412333097775, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 8.69742161346774"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 8.69742161346774""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 8.69742161346774 +""", +) + +entry( + index = 2370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F", + kinetics = ArrheniusBM(A=(1.28295e-05,'m^3/(mol*s)'), n=3.13848, w0=(421.5,'kJ/mol'), E0=(31.0431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00870544942368833, var=0.6871682434994485, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F + Total Standard Deviation in ln(k): 1.6837103933735524"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F +Total Standard Deviation in ln(k): 1.6837103933735524""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F +Total Standard Deviation in ln(k): 1.6837103933735524 +""", +) + +entry( + index = 2371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.44132e-06,'m^3/(mol*s)'), n=3.36778, w0=(421.5,'kJ/mol'), E0=(29.5772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005980187066994102, var=2.201656765158352, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R + Total Standard Deviation in ln(k): 2.9896476698932113"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 2.9896476698932113""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R +Total Standard Deviation in ln(k): 2.9896476698932113 +""", +) + +entry( + index = 2372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.87165e-06,'m^3/(mol*s)'), n=3.32783, w0=(421.5,'kJ/mol'), E0=(30.2352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_5R!H->F_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F", + kinetics = ArrheniusBM(A=(0.0188235,'m^3/(mol*s)'), n=1.97664, w0=(421.5,'kJ/mol'), E0=(36.9537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.693682632319264, var=5.393698875614653, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F + Total Standard Deviation in ln(k): 8.91134855648041"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F +Total Standard Deviation in ln(k): 8.91134855648041""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F +Total Standard Deviation in ln(k): 8.91134855648041 +""", +) + +entry( + index = 2374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C", + kinetics = ArrheniusBM(A=(0.529194,'m^3/(mol*s)'), n=1.90707, w0=(421.5,'kJ/mol'), E0=(41.1957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.001271741499119544, var=0.002075053275634514, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C + Total Standard Deviation in ln(k): 0.0945165315452524"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C +Total Standard Deviation in ln(k): 0.0945165315452524""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C +Total Standard Deviation in ln(k): 0.0945165315452524 +""", +) + +entry( + index = 2375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.0238142,'m^3/(mol*s)'), n=2.43071, w0=(421.5,'kJ/mol'), E0=(46.1069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.287,'m^3/(mol*s)'), n=1.509, w0=(421.5,'kJ/mol'), E0=(35.7977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_5CClNOS->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C", + kinetics = ArrheniusBM(A=(0.0103381,'m^3/(mol*s)'), n=2.04898, w0=(421.5,'kJ/mol'), E0=(36.3089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1981738909276232, var=2.5691818119645515, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C + Total Standard Deviation in ln(k): 6.223810357314323"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C +Total Standard Deviation in ln(k): 6.223810357314323""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C +Total Standard Deviation in ln(k): 6.223810357314323 +""", +) + +entry( + index = 2378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_5ClNO->O", + kinetics = ArrheniusBM(A=(0.00893334,'m^3/(mol*s)'), n=2.06755, w0=(421.5,'kJ/mol'), E0=(36.2673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_5ClNO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_5ClNO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_5ClNO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_5ClNO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O", + kinetics = ArrheniusBM(A=(526.224,'m^3/(mol*s)'), n=0.66505, w0=(421.5,'kJ/mol'), E0=(37.8546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22623906086146153, var=0.981013155020748, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O + Total Standard Deviation in ln(k): 2.5540519253547633"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O +Total Standard Deviation in ln(k): 2.5540519253547633""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O +Total Standard Deviation in ln(k): 2.5540519253547633 +""", +) + +entry( + index = 2380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.01839e-05,'m^3/(mol*s)'), n=2.80005, w0=(421.5,'kJ/mol'), E0=(30.687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_5ClN->N", + kinetics = ArrheniusBM(A=(2.41371e+07,'m^3/(mol*s)'), n=-0.842263, w0=(421.5,'kJ/mol'), E0=(42.0819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_5ClN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_5ClN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_N-5ClN->N", + kinetics = ArrheniusBM(A=(0.00388892,'m^3/(mol*s)'), n=2.45137, w0=(421.5,'kJ/mol'), E0=(33.6691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_N-5ClN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_N-5ClN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_N-5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_Sp-5R!H-4C_N-5R!H->F_N-5CClNOS->C_N-5ClNO->O_N-5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.000101189,'m^3/(mol*s)'), n=2.99902, w0=(421.5,'kJ/mol'), E0=(35.2379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17990765966005326, var=0.7874353868271188, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 2.230982210227809"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 2.230982210227809""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 2.230982210227809 +""", +) + +entry( + index = 2384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_5R!H->O", + kinetics = ArrheniusBM(A=(0.249166,'m^3/(mol*s)'), n=2.0839, w0=(421.5,'kJ/mol'), E0=(39.7678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O", + kinetics = ArrheniusBM(A=(0.00260585,'m^3/(mol*s)'), n=2.58753, w0=(421.5,'kJ/mol'), E0=(39.8193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2503047268059811, var=0.5089130926404212, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O + Total Standard Deviation in ln(k): 2.059047164344011"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O +Total Standard Deviation in ln(k): 2.059047164344011""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O +Total Standard Deviation in ln(k): 2.059047164344011 +""", +) + +entry( + index = 2386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C", + kinetics = ArrheniusBM(A=(0.00139077,'m^3/(mol*s)'), n=2.6612, w0=(421.5,'kJ/mol'), E0=(39.598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23668244644564057, var=0.3986300192062315, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C + Total Standard Deviation in ln(k): 1.860412183112391"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C +Total Standard Deviation in ln(k): 1.860412183112391""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C +Total Standard Deviation in ln(k): 1.860412183112391 +""", +) + +entry( + index = 2387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.0186427,'m^3/(mol*s)'), n=2.37552, w0=(421.5,'kJ/mol'), E0=(48.4139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Sp-5C=4C", + kinetics = ArrheniusBM(A=(0.0877006,'m^3/(mol*s)'), n=2.36066, w0=(421.5,'kJ/mol'), E0=(48.4321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9436654149343628, var=4.677758522187885, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Sp-5C=4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Sp-5C=4C + Total Standard Deviation in ln(k): 6.7068849987143215"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Sp-5C=4C +Total Standard Deviation in ln(k): 6.7068849987143215""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_Sp-5C=4C +Total Standard Deviation in ln(k): 6.7068849987143215 +""", +) + +entry( + index = 2389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_N-Sp-5C=4C", + kinetics = ArrheniusBM(A=(3.66013e-05,'m^3/(mol*s)'), n=3.08847, w0=(421.5,'kJ/mol'), E0=(34.3405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16562362790408466, var=0.13934339492343617, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_N-Sp-5C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_N-Sp-5C=4C + Total Standard Deviation in ln(k): 1.1644818768287608"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_N-Sp-5C=4C +Total Standard Deviation in ln(k): 1.1644818768287608""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_5CClFNS->C_N-Sp-5C=4C +Total Standard Deviation in ln(k): 1.1644818768287608 +""", +) + +entry( + index = 2390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C", + kinetics = ArrheniusBM(A=(1.64487,'m^3/(mol*s)'), n=1.81329, w0=(421.5,'kJ/mol'), E0=(44.1322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.550148297770471, var=5.014351639238533, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C + Total Standard Deviation in ln(k): 5.871434898860401"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C +Total Standard Deviation in ln(k): 5.871434898860401""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C +Total Standard Deviation in ln(k): 5.871434898860401 +""", +) + +entry( + index = 2391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_5NS->N", + kinetics = ArrheniusBM(A=(3.60484,'m^3/(mol*s)'), n=1.69804, w0=(421.5,'kJ/mol'), E0=(43.5641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_5NS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_5NS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_5NS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_5NS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_N-5NS->N", + kinetics = ArrheniusBM(A=(4.85175e-07,'m^3/(mol*s)'), n=3.96058, w0=(421.5,'kJ/mol'), E0=(49.7217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09066620158049067, var=54.62158345568063, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_N-5NS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_N-5NS->N + Total Standard Deviation in ln(k): 15.044083013139344"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_N-5NS->N +Total Standard Deviation in ln(k): 15.044083013139344""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_4CO->C_N-4C-inRing_Ext-4C-R_N-Sp-5R!H-4C_N-5R!H->O_N-5CClFNS->C_N-5NS->N +Total Standard Deviation in ln(k): 15.044083013139344 +""", +) + +entry( + index = 2393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C", + kinetics = ArrheniusBM(A=(9.69582e+08,'m^3/(mol*s)'), n=-1.73101, w0=(421.5,'kJ/mol'), E0=(24.5216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.790109002436543, var=13.062805697297938, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C + Total Standard Deviation in ln(k): 14.255938610925316"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C +Total Standard Deviation in ln(k): 14.255938610925316""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C +Total Standard Deviation in ln(k): 14.255938610925316 +""", +) + +entry( + index = 2394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C_Ext-4O-R", + kinetics = ArrheniusBM(A=(5.16767e+08,'m^3/(mol*s)'), n=-1.66922, w0=(421.5,'kJ/mol'), E0=(23.2207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_1CHINO->H_N-4BrCClNOS->S_N-4BrCClNO->Br_N-4CClNO->N_N-4CClO->Cl_N-4CO->C_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H", + kinetics = ArrheniusBM(A=(4.72844e+10,'m^3/(mol*s)'), n=-1.41076, w0=(412.467,'kJ/mol'), E0=(62.1204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35779379731372757, var=4.224824790079152, Tref=1000.0, N=3298, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H',), comment="""BM rule fitted to 3298 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H + Total Standard Deviation in ln(k): 5.019587764537307"""), + rank = 11, + shortDesc = """BM rule fitted to 3298 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H +Total Standard Deviation in ln(k): 5.019587764537307""", + longDesc = +""" +BM rule fitted to 3298 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H +Total Standard Deviation in ln(k): 5.019587764537307 +""", +) + +entry( + index = 2396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I", + kinetics = ArrheniusBM(A=(6.2544e+17,'m^3/(mol*s)'), n=-4.10817, w0=(353,'kJ/mol'), E0=(-3.20521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9328298623190006, var=9.817001529023543, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I + Total Standard Deviation in ln(k): 11.13761135008466"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I +Total Standard Deviation in ln(k): 11.13761135008466""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I +Total Standard Deviation in ln(k): 11.13761135008466 +""", +) + +entry( + index = 2397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.01107e+06,'m^3/(mol*s)'), n=1.47251e-09, w0=(353,'kJ/mol'), E0=(11.0525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_1CINO->I_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I", + kinetics = ArrheniusBM(A=(5.90398e+09,'m^3/(mol*s)'), n=-1.10518, w0=(412.503,'kJ/mol'), E0=(62.5996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32492924009135016, var=4.564352476054425, Tref=1000.0, N=3296, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I',), comment="""BM rule fitted to 3296 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I + Total Standard Deviation in ln(k): 5.099390357011914"""), + rank = 11, + shortDesc = """BM rule fitted to 3296 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I +Total Standard Deviation in ln(k): 5.099390357011914""", + longDesc = +""" +BM rule fitted to 3296 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I +Total Standard Deviation in ln(k): 5.099390357011914 +""", +) + +entry( + index = 2399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N", + kinetics = ArrheniusBM(A=(3.29234e+12,'m^3/(mol*s)'), n=-1.90107, w0=(398.5,'kJ/mol'), E0=(70.9287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5961673066897193, var=13.2988759801129, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N + Total Standard Deviation in ln(k): 11.321263115994658"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N +Total Standard Deviation in ln(k): 11.321263115994658""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N +Total Standard Deviation in ln(k): 11.321263115994658 +""", +) + +entry( + index = 2400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0", + kinetics = ArrheniusBM(A=(5.71292e+10,'m^3/(mol*s)'), n=-1.08311, w0=(398.5,'kJ/mol'), E0=(66.9037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17597150975881337, var=4.597765469767516, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0 + Total Standard Deviation in ln(k): 4.7407727506869115"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0 +Total Standard Deviation in ln(k): 4.7407727506869115""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0 +Total Standard Deviation in ln(k): 4.7407727506869115 +""", +) + +entry( + index = 2401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N", + kinetics = ArrheniusBM(A=(2.09741e+07,'m^3/(mol*s)'), n=-0.0482259, w0=(398.5,'kJ/mol'), E0=(56.9643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29704676068608277, var=8.467317472034177, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N + Total Standard Deviation in ln(k): 6.5798581673208085"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N +Total Standard Deviation in ln(k): 6.5798581673208085""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N +Total Standard Deviation in ln(k): 6.5798581673208085 +""", +) + +entry( + index = 2402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.62928e+06,'m^3/(mol*s)'), n=-0.0319041, w0=(398.5,'kJ/mol'), E0=(45.9191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(232.832,'m^3/(mol*s)'), n=1.40367, w0=(398.5,'kJ/mol'), E0=(33.1145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_4BrCClNOS->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N", + kinetics = ArrheniusBM(A=(2.80732e+14,'m^3/(mol*s)'), n=-2.26659, w0=(398.5,'kJ/mol'), E0=(78.0939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12726538373117813, var=5.262128458464426, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N + Total Standard Deviation in ln(k): 4.918490155417881"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N +Total Standard Deviation in ln(k): 4.918490155417881""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N +Total Standard Deviation in ln(k): 4.918490155417881 +""", +) + +entry( + index = 2405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(4.15276e+15,'m^3/(mol*s)'), n=-2.41817, w0=(398.5,'kJ/mol'), E0=(80.7996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03721292379433059, var=5.40876686211968, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R + Total Standard Deviation in ln(k): 4.755863204597981"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R +Total Standard Deviation in ln(k): 4.755863204597981""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R +Total Standard Deviation in ln(k): 4.755863204597981 +""", +) + +entry( + index = 2406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.23594e+16,'m^3/(mol*s)'), n=-2.49131, w0=(398.5,'kJ/mol'), E0=(81.6629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16713685258839403, var=7.6714794668507444, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 5.972543939270433"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.972543939270433""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.972543939270433 +""", +) + +entry( + index = 2407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.82724e+16,'m^3/(mol*s)'), n=-2.43534, w0=(398.5,'kJ/mol'), E0=(81.9852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051036108546250125, var=11.303492048167351, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R + Total Standard Deviation in ln(k): 6.868284341243886"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 6.868284341243886""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 6.868284341243886 +""", +) + +entry( + index = 2408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(3.41179e+07,'m^3/(mol*s)'), n=0.224876, w0=(398.5,'kJ/mol'), E0=(47.997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_Sp-7R!H#4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_Sp-7R!H#4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_Sp-7R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_Sp-7R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(3.08649e+14,'m^3/(mol*s)'), n=-2.00718, w0=(398.5,'kJ/mol'), E0=(81.3592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7745769541168868, var=25.101786180289807, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C + Total Standard Deviation in ln(k): 11.990233343386825"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 11.990233343386825""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 11.990233343386825 +""", +) + +entry( + index = 2410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_Sp-7R!H-4C", + kinetics = ArrheniusBM(A=(2.92009,'m^3/(mol*s)'), n=1.74589, w0=(398.5,'kJ/mol'), E0=(42.6835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_Sp-7R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_Sp-7R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_Sp-7R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_Sp-7R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_N-Sp-7R!H-4C", + kinetics = ArrheniusBM(A=(406399,'m^3/(mol*s)'), n=0.802223, w0=(398.5,'kJ/mol'), E0=(59.0155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_N-Sp-7R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_N-Sp-7R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_N-Sp-7R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-3C-R_Ext-4C-R_N-Sp-7R!H#4C_N-Sp-7R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.29516e+16,'m^3/(mol*s)'), n=-2.69414, w0=(398.5,'kJ/mol'), E0=(84.0147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06375711381545487, var=16.83261592577446, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R + Total Standard Deviation in ln(k): 8.385134851154339"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 8.385134851154339""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 8.385134851154339 +""", +) + +entry( + index = 2413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(6.31968e+19,'m^3/(mol*s)'), n=-3.55841, w0=(398.5,'kJ/mol'), E0=(92.0154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.446470254953903, var=51.62390497572635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C + Total Standard Deviation in ln(k): 15.525761445133012"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 15.525761445133012""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 15.525761445133012 +""", +) + +entry( + index = 2414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.19071e+07,'m^3/(mol*s)'), n=0.485763, w0=(398.5,'kJ/mol'), E0=(61.6247,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_Sp-6R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_N-Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(406547,'m^3/(mol*s)'), n=0.278779, w0=(398.5,'kJ/mol'), E0=(55.7098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_N-Sp-6R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_N-Sp-6R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-3C-R_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.69336e+09,'m^3/(mol*s)'), n=-0.967876, w0=(398.5,'kJ/mol'), E0=(64.461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12449076803896197, var=2.663991593737386, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R + Total Standard Deviation in ln(k): 3.5848671158931813"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R +Total Standard Deviation in ln(k): 3.5848671158931813""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R +Total Standard Deviation in ln(k): 3.5848671158931813 +""", +) + +entry( + index = 2417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(3.06001e+09,'m^3/(mol*s)'), n=-1.01553, w0=(398.5,'kJ/mol'), E0=(62.6116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09593446814804393, var=3.016026055545352, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 3.7226065872672045"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 3.7226065872672045""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 3.7226065872672045 +""", +) + +entry( + index = 2418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(9.47062e+13,'m^3/(mol*s)'), n=-2.30799, w0=(398.5,'kJ/mol'), E0=(77.437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13678550844851653, var=4.782704629697462, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R + Total Standard Deviation in ln(k): 4.7279166257979695"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 4.7279166257979695""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R +Total Standard Deviation in ln(k): 4.7279166257979695 +""", +) + +entry( + index = 2419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(2.68205e+06,'m^3/(mol*s)'), n=-0.31875, w0=(398.5,'kJ/mol'), E0=(54.5076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13605410461494477, var=0.038628932261366364, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C + Total Standard Deviation in ln(k): 0.7358600154768732"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 0.7358600154768732""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 0.7358600154768732 +""", +) + +entry( + index = 2420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.05046e+08,'m^3/(mol*s)'), n=-0.801187, w0=(398.5,'kJ/mol'), E0=(55.8063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_Sp-6R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(5.33738e+07,'m^3/(mol*s)'), n=-0.170865, w0=(398.5,'kJ/mol'), E0=(69.4401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-Sp-6R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-Sp-6R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(208097,'m^3/(mol*s)'), n=0.270394, w0=(398.5,'kJ/mol'), E0=(48.612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05404821704472109, var=21.452610431432625, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 9.421123540939444"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 9.421123540939444""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 9.421123540939444 +""", +) + +entry( + index = 2423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(120121,'m^3/(mol*s)'), n=0.181316, w0=(398.5,'kJ/mol'), E0=(52.5938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(2.29281e+06,'m^3/(mol*s)'), n=0.12927, w0=(398.5,'kJ/mol'), E0=(46.6422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_5R!H->N", + kinetics = ArrheniusBM(A=(1.45806e+06,'m^3/(mol*s)'), n=-0.197592, w0=(398.5,'kJ/mol'), E0=(51.3298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_N-5R!H->N", + kinetics = ArrheniusBM(A=(206415,'m^3/(mol*s)'), n=0.147078, w0=(398.5,'kJ/mol'), E0=(52.8269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_N-5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_N-5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_N-5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_Sp-5R!H-4C_N-5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(1.23065e+10,'m^3/(mol*s)'), n=-1.0828, w0=(398.5,'kJ/mol'), E0=(71.1505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15868682257048122, var=7.047905394344874, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 5.720859527740032"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 5.720859527740032""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 5.720859527740032 +""", +) + +entry( + index = 2428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.10134e+08,'m^3/(mol*s)'), n=-0.691227, w0=(398.5,'kJ/mol'), E0=(68.4443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10145876656149835, var=0.003458381700055891, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.3728159987056205"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3728159987056205""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3728159987056205 +""", +) + +entry( + index = 2429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(3.98851e+06,'m^3/(mol*s)'), n=-0.119814, w0=(398.5,'kJ/mol'), E0=(68.4691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_Sp-5R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_N-Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(7.8278e+09,'m^3/(mol*s)'), n=-1.21951, w0=(398.5,'kJ/mol'), E0=(68.0262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_N-Sp-5R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_N-Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_1N-u0_N-4BrCClNOS->N_Ext-4C-R_N-Sp-5R!H-4C_Ext-5R!H-R_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_N-1N-u0", + kinetics = ArrheniusBM(A=(93169.8,'m^3/(mol*s)'), n=0.118073, w0=(398.5,'kJ/mol'), E0=(51.7317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_N-1N-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_N-1N-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_N-1N-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_1CNO->N_N-1N-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N", + kinetics = ArrheniusBM(A=(2.73462e+09,'m^3/(mol*s)'), n=-1.00837, w0=(412.615,'kJ/mol'), E0=(61.5617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3236256768358308, var=4.8435678716508965, Tref=1000.0, N=3270, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N',), comment="""BM rule fitted to 3270 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N + Total Standard Deviation in ln(k): 5.225172311510855"""), + rank = 11, + shortDesc = """BM rule fitted to 3270 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N +Total Standard Deviation in ln(k): 5.225172311510855""", + longDesc = +""" +BM rule fitted to 3270 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N +Total Standard Deviation in ln(k): 5.225172311510855 +""", +) + +entry( + index = 2433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0", + kinetics = ArrheniusBM(A=(1.1692e+11,'m^3/(mol*s)'), n=-1.40568, w0=(412.394,'kJ/mol'), E0=(73.4428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37060563855181694, var=5.4935958289421345, Tref=1000.0, N=3236, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0',), comment="""BM rule fitted to 3236 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0 + Total Standard Deviation in ln(k): 5.629952436621653"""), + rank = 11, + shortDesc = """BM rule fitted to 3236 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0 +Total Standard Deviation in ln(k): 5.629952436621653""", + longDesc = +""" +BM rule fitted to 3236 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0 +Total Standard Deviation in ln(k): 5.629952436621653 +""", +) + +entry( + index = 2434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C", + kinetics = ArrheniusBM(A=(0.028841,'m^3/(mol*s)'), n=2.27319, w0=(411,'kJ/mol'), E0=(58.2459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16310507197241428, var=6.033425772280066, Tref=1000.0, N=3048, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C',), comment="""BM rule fitted to 3048 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C + Total Standard Deviation in ln(k): 5.334049072083999"""), + rank = 11, + shortDesc = """BM rule fitted to 3048 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C +Total Standard Deviation in ln(k): 5.334049072083999""", + longDesc = +""" +BM rule fitted to 3048 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C +Total Standard Deviation in ln(k): 5.334049072083999 +""", +) + +entry( + index = 2435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl", + kinetics = ArrheniusBM(A=(0.169427,'m^3/(mol*s)'), n=2.05344, w0=(411,'kJ/mol'), E0=(51.5808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21825786400868374, var=6.666352580081985, Tref=1000.0, N=118, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl',), comment="""BM rule fitted to 118 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl + Total Standard Deviation in ln(k): 5.724468370543075"""), + rank = 11, + shortDesc = """BM rule fitted to 118 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl +Total Standard Deviation in ln(k): 5.724468370543075""", + longDesc = +""" +BM rule fitted to 118 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl +Total Standard Deviation in ln(k): 5.724468370543075 +""", +) + +entry( + index = 2436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.332814,'m^3/(mol*s)'), n=2.00766, w0=(411,'kJ/mol'), E0=(50.6339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19505519408716537, var=6.347932419052301, Tref=1000.0, N=95, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R',), comment="""BM rule fitted to 95 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R + Total Standard Deviation in ln(k): 5.541039209942326"""), + rank = 11, + shortDesc = """BM rule fitted to 95 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 5.541039209942326""", + longDesc = +""" +BM rule fitted to 95 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R +Total Standard Deviation in ln(k): 5.541039209942326 +""", +) + +entry( + index = 2437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.70511e-05,'m^3/(mol*s)'), n=3.27938, w0=(411,'kJ/mol'), E0=(35.4664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026775070168367072, var=2.2856560681558507, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.098109995142027"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.098109995142027""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.098109995142027 +""", +) + +entry( + index = 2438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(3.17017e-14,'m^3/(mol*s)'), n=6.04669, w0=(411,'kJ/mol'), E0=(13.3208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1159177827921815, var=7.029879277085361, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 5.606589158342687"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 5.606589158342687""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 5.606589158342687 +""", +) + +entry( + index = 2439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.74477e-16,'m^3/(mol*s)'), n=6.50388, w0=(411,'kJ/mol'), E0=(1.04179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0736674692524502, var=6.602952684639456, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.33650373259873"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.33650373259873""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.33650373259873 +""", +) + +entry( + index = 2440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.93781e-13,'m^3/(mol*s)'), n=5.79666, w0=(411,'kJ/mol'), E0=(37.9718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.14978e-09,'m^3/(mol*s)'), n=4.68435, w0=(411,'kJ/mol'), E0=(17.2142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(7.20155e-11,'m^3/(mol*s)'), n=5.0402, w0=(411,'kJ/mol'), E0=(22.5017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_5R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0010053,'m^3/(mol*s)'), n=2.94627, w0=(411,'kJ/mol'), E0=(37.2619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023935327482552827, var=2.3207508414934437, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 3.114154589835513"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.114154589835513""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.114154589835513 +""", +) + +entry( + index = 2444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_1C-inRing", + kinetics = ArrheniusBM(A=(0.00234796,'m^3/(mol*s)'), n=2.67955, w0=(411,'kJ/mol'), E0=(19.5625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing", + kinetics = ArrheniusBM(A=(0.00101462,'m^3/(mol*s)'), n=2.9524, w0=(411,'kJ/mol'), E0=(37.6743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018265276284985876, var=2.464562924896213, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing + Total Standard Deviation in ln(k): 3.193111512310296"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 3.193111512310296""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 3.193111512310296 +""", +) + +entry( + index = 2446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000435614,'m^3/(mol*s)'), n=3.04115, w0=(411,'kJ/mol'), E0=(36.718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012420823084223905, var=2.2391393239232515, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.031044342285849"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.031044342285849""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.031044342285849 +""", +) + +entry( + index = 2447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O", + kinetics = ArrheniusBM(A=(2.24516e-17,'m^3/(mol*s)'), n=6.93679, w0=(411,'kJ/mol'), E0=(-10.7577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16770271272605175, var=4.911585239745899, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O + Total Standard Deviation in ln(k): 4.864276836237116"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O +Total Standard Deviation in ln(k): 4.864276836237116""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O +Total Standard Deviation in ln(k): 4.864276836237116 +""", +) + +entry( + index = 2448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_Sp-7O-1C", + kinetics = ArrheniusBM(A=(2.07252e-11,'m^3/(mol*s)'), n=5.13541, w0=(411,'kJ/mol'), E0=(17.7192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_Sp-7O-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_Sp-7O-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_Sp-7O-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_Sp-7O-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C", + kinetics = ArrheniusBM(A=(1.39938e-09,'m^3/(mol*s)'), n=4.7888, w0=(411,'kJ/mol'), E0=(18.7768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7463829326856495, var=8.290154929662002, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C + Total Standard Deviation in ln(k): 10.160056177129897"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C +Total Standard Deviation in ln(k): 10.160056177129897""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C +Total Standard Deviation in ln(k): 10.160056177129897 +""", +) + +entry( + index = 2450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.89449e-09,'m^3/(mol*s)'), n=4.78454, w0=(411,'kJ/mol'), E0=(19.618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_7R!H->O_N-Sp-7O-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(0.00323397,'m^3/(mol*s)'), n=2.78205, w0=(411,'kJ/mol'), E0=(39.3366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03745914751376565, var=2.2679744847326484, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O + Total Standard Deviation in ln(k): 3.1132085438703725"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O +Total Standard Deviation in ln(k): 3.1132085438703725""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O +Total Standard Deviation in ln(k): 3.1132085438703725 +""", +) + +entry( + index = 2452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C", + kinetics = ArrheniusBM(A=(3.68038e-07,'m^3/(mol*s)'), n=3.88235, w0=(411,'kJ/mol'), E0=(28.8886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1195658877736367, var=1.8659003107116414, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C + Total Standard Deviation in ln(k): 3.03884405419999"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 3.03884405419999""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 3.03884405419999 +""", +) + +entry( + index = 2453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.23296e-06,'m^3/(mol*s)'), n=3.60241, w0=(411,'kJ/mol'), E0=(30.302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20313614836661975, var=2.2072737610535196, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.48880650487999"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.48880650487999""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.48880650487999 +""", +) + +entry( + index = 2454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(0.000375356,'m^3/(mol*s)'), n=3.2659, w0=(411,'kJ/mol'), E0=(45.655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04662702485545957, var=11.795905958898773, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F + Total Standard Deviation in ln(k): 7.002449721945572"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F +Total Standard Deviation in ln(k): 7.002449721945572""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F +Total Standard Deviation in ln(k): 7.002449721945572 +""", +) + +entry( + index = 2455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.07373e-09,'m^3/(mol*s)'), n=4.70794, w0=(411,'kJ/mol'), E0=(25.3734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_7BrCClFINPSSi->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(1.0354e-09,'m^3/(mol*s)'), n=4.62638, w0=(411,'kJ/mol'), E0=(15.3107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03377904928716518, var=0.18580049926434836, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F + Total Standard Deviation in ln(k): 0.9490046592071756"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F +Total Standard Deviation in ln(k): 0.9490046592071756""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F +Total Standard Deviation in ln(k): 0.9490046592071756 +""", +) + +entry( + index = 2457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl", + kinetics = ArrheniusBM(A=(6.53751e-10,'m^3/(mol*s)'), n=4.73888, w0=(411,'kJ/mol'), E0=(17.825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10097623769977256, var=0.31864918562486527, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl + Total Standard Deviation in ln(k): 1.3853624442528814"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl +Total Standard Deviation in ln(k): 1.3853624442528814""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl +Total Standard Deviation in ln(k): 1.3853624442528814 +""", +) + +entry( + index = 2458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.90848e-09,'m^3/(mol*s)'), n=4.60992, w0=(411,'kJ/mol'), E0=(19.2617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_8R!H->C", + kinetics = ArrheniusBM(A=(2.0286e-10,'m^3/(mol*s)'), n=4.8114, w0=(411,'kJ/mol'), E0=(15.0456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.51933e-10,'m^3/(mol*s)'), n=4.87386, w0=(411,'kJ/mol'), E0=(18.3767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_7CCl->Cl_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_N-7CCl->Cl", + kinetics = ArrheniusBM(A=(4.05894e-07,'m^3/(mol*s)'), n=3.7175, w0=(411,'kJ/mol'), E0=(12.5513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_N-7CCl->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_N-7CCl->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_N-7CCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_Ext-1C-R_N-7BrCClFINPSSi->F_N-7CCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.54018e-08,'m^3/(mol*s)'), n=4.27102, w0=(411,'kJ/mol'), E0=(27.6699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09195561411883714, var=1.6136771285844291, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 2.777671092003018"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 2.777671092003018""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 2.777671092003018 +""", +) + +entry( + index = 2463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(4.28164e-10,'m^3/(mol*s)'), n=4.67819, w0=(411,'kJ/mol'), E0=(23.6484,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10604199852671382, var=1.183076737931316, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R + Total Standard Deviation in ln(k): 2.44697411544145"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.44697411544145""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R +Total Standard Deviation in ln(k): 2.44697411544145 +""", +) + +entry( + index = 2464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(5.07773e-12,'m^3/(mol*s)'), n=5.35415, w0=(411,'kJ/mol'), E0=(26.3428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2327148828494111, var=3.198712941534063, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 4.170168625372215"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 4.170168625372215""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 4.170168625372215 +""", +) + +entry( + index = 2465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_Ext-7C-R", + kinetics = ArrheniusBM(A=(5.70325e-12,'m^3/(mol*s)'), n=5.33453, w0=(411,'kJ/mol'), E0=(22.1497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_Ext-7C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_Ext-7C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C", + kinetics = ArrheniusBM(A=(1.52303e-11,'m^3/(mol*s)'), n=5.10036, w0=(411,'kJ/mol'), E0=(31.8593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.69874e-11,'m^3/(mol*s)'), n=5.32617, w0=(411,'kJ/mol'), E0=(27.5981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(1.38552e-09,'m^3/(mol*s)'), n=4.40792, w0=(411,'kJ/mol'), E0=(15.5568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16073150590586527, var=0.4597994420222179, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C + Total Standard Deviation in ln(k): 1.7632290481343769"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 1.7632290481343769""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 1.7632290481343769 +""", +) + +entry( + index = 2469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_8R!H->C", + kinetics = ArrheniusBM(A=(8.98439e-09,'m^3/(mol*s)'), n=4.06309, w0=(411,'kJ/mol'), E0=(14.6991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.57744e-11,'m^3/(mol*s)'), n=4.88835, w0=(411,'kJ/mol'), E0=(3.51064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12579689400582375, var=0.2327668599357748, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C + Total Standard Deviation in ln(k): 1.2832754386669818"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 1.2832754386669818""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C +Total Standard Deviation in ln(k): 1.2832754386669818 +""", +) + +entry( + index = 2471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.22854e-08,'m^3/(mol*s)'), n=4.13302, w0=(411,'kJ/mol'), E0=(17.6574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C_Ext-7C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_7BrCClFINPSSi->C_Ext-7C-R_N-Sp-8R!H=7C_N-8R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(4.42627e-07,'m^3/(mol*s)'), n=3.60931, w0=(411,'kJ/mol'), E0=(26.5781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26254371813568933, var=0.6785288210146778, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 2.311015219641841"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 2.311015219641841""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 2.311015219641841 +""", +) + +entry( + index = 2473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_7ClF->F", + kinetics = ArrheniusBM(A=(2.57673e-08,'m^3/(mol*s)'), n=4.0208, w0=(411,'kJ/mol'), E0=(24.2826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_7ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_7ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_7ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_7ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_N-7ClF->F", + kinetics = ArrheniusBM(A=(1.83269e-08,'m^3/(mol*s)'), n=3.94789, w0=(411,'kJ/mol'), E0=(21.7792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_N-7ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_N-7ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_N-7ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_Sp-7BrCClFINPSSi-1C_N-7BrCClFINPSSi->C_N-7ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C", + kinetics = ArrheniusBM(A=(9.71037e-07,'m^3/(mol*s)'), n=3.9003, w0=(411,'kJ/mol'), E0=(27.6366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08493470028022114, var=8.871981788479323, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C + Total Standard Deviation in ln(k): 6.184682037547441"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 6.184682037547441""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 6.184682037547441 +""", +) + +entry( + index = 2476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(1.09429e-08,'m^3/(mol*s)'), n=4.37059, w0=(411,'kJ/mol'), E0=(24.0808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1342468903781498, var=1.6567949016444423, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R + Total Standard Deviation in ln(k): 2.9177294773431783"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R +Total Standard Deviation in ln(k): 2.9177294773431783""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R +Total Standard Deviation in ln(k): 2.9177294773431783 +""", +) + +entry( + index = 2477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.9577e-08,'m^3/(mol*s)'), n=4.06151, w0=(411,'kJ/mol'), E0=(14.6238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15778700681933633, var=0.9846911260747204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.3857805419887095"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3857805419887095""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3857805419887095 +""", +) + +entry( + index = 2478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.43692e-07,'m^3/(mol*s)'), n=4.02695, w0=(411,'kJ/mol'), E0=(16.8932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.407e-08,'m^3/(mol*s)'), n=4.09606, w0=(411,'kJ/mol'), E0=(17.6597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.00619531,'m^3/(mol*s)'), n=2.31979, w0=(411,'kJ/mol'), E0=(41.9706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.45597e-09,'m^3/(mol*s)'), n=4.54602, w0=(411,'kJ/mol'), E0=(31.042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_Ext-3C-R_N-5R!H->C_N-1C-inRing_Ext-1C-R_N-7R!H->O_N-Sp-7BrCClFINPSSi-1C_Ext-7BrCClFINPSSi-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.0124792,'m^3/(mol*s)'), n=2.2643, w0=(411,'kJ/mol'), E0=(50.2794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20704520189948775, var=4.554719095296427, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 4.798677151048919"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 4.798677151048919""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 4.798677151048919 +""", +) + +entry( + index = 2483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000420034,'m^3/(mol*s)'), n=2.64664, w0=(411,'kJ/mol'), E0=(47.0317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1110527338942932, var=3.4401900432172354, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.9973593336476574"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.9973593336476574""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.9973593336476574 +""", +) + +entry( + index = 2484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_1C-inRing", + kinetics = ArrheniusBM(A=(1.7912e-08,'m^3/(mol*s)'), n=4.15478, w0=(411,'kJ/mol'), E0=(28.8916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.52072e-05,'m^3/(mol*s)'), n=3.04473, w0=(411,'kJ/mol'), E0=(43.5764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06508778885656345, var=3.372101026901661, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing + Total Standard Deviation in ln(k): 3.84488858787018"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing +Total Standard Deviation in ln(k): 3.84488858787018""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing +Total Standard Deviation in ln(k): 3.84488858787018 +""", +) + +entry( + index = 2486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.1326e-05,'m^3/(mol*s)'), n=2.97732, w0=(411,'kJ/mol'), E0=(43.6001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0765916942236259, var=3.2031429886114506, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.7803812822633023"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.7803812822633023""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.7803812822633023 +""", +) + +entry( + index = 2487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.00139956,'m^3/(mol*s)'), n=2.42641, w0=(411,'kJ/mol'), E0=(49.3608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1326457036752775, var=2.507701765735122, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 3.507923939435119"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 3.507923939435119""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 3.507923939435119 +""", +) + +entry( + index = 2488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.23124e-07,'m^3/(mol*s)'), n=3.45527, w0=(411,'kJ/mol'), E0=(37.8067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09170929567574931, var=5.531369125378581, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.94533431145262"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.94533431145262""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.94533431145262 +""", +) + +entry( + index = 2489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_8R!H->O", + kinetics = ArrheniusBM(A=(5.13814e-11,'m^3/(mol*s)'), n=4.72951, w0=(411,'kJ/mol'), E0=(27.5023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_8R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_8R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_8R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_8R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O", + kinetics = ArrheniusBM(A=(4.62993e-12,'m^3/(mol*s)'), n=4.68102, w0=(411,'kJ/mol'), E0=(26.6369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026245361059798036, var=0.42421589811640004, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O + Total Standard Deviation in ln(k): 1.371664330532977"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O +Total Standard Deviation in ln(k): 1.371664330532977""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O +Total Standard Deviation in ln(k): 1.371664330532977 +""", +) + +entry( + index = 2491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.1398e-10,'m^3/(mol*s)'), n=4.26566, w0=(411,'kJ/mol'), E0=(26.9588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(9.78512e-14,'m^3/(mol*s)'), n=5.17767, w0=(411,'kJ/mol'), E0=(25.6178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(0.00326848,'m^3/(mol*s)'), n=2.31422, w0=(411,'kJ/mol'), E0=(50.9804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0929869013283778, var=3.1727095275852863, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 3.8044898585026683"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 3.8044898585026683""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 3.8044898585026683 +""", +) + +entry( + index = 2494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.93275e-10,'m^3/(mol*s)'), n=4.42161, w0=(411,'kJ/mol'), E0=(25.8996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01879121600241924, var=0.0021998718088591784, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.14124178101684354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.14124178101684354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.14124178101684354 +""", +) + +entry( + index = 2495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(8.4602e-11,'m^3/(mol*s)'), n=4.68596, w0=(411,'kJ/mol'), E0=(32.7401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.72131e-09,'m^3/(mol*s)'), n=3.96618, w0=(411,'kJ/mol'), E0=(15.7455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(2.04562e-12,'m^3/(mol*s)'), n=4.53091, w0=(411,'kJ/mol'), E0=(27.7535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-7C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-7C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(1.71126e-12,'m^3/(mol*s)'), n=4.89108, w0=(411,'kJ/mol'), E0=(26.4035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(3.83277e-06,'m^3/(mol*s)'), n=3.25699, w0=(411,'kJ/mol'), E0=(45.8695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025672428241589784, var=4.65517463027737, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 4.389890662926793"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.389890662926793""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.389890662926793 +""", +) + +entry( + index = 2500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C", + kinetics = ArrheniusBM(A=(1.62526e-11,'m^3/(mol*s)'), n=4.79171, w0=(411,'kJ/mol'), E0=(38.0264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10640552433849285, var=1.6268438272384285, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C + Total Standard Deviation in ln(k): 2.824345813967397"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C +Total Standard Deviation in ln(k): 2.824345813967397""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C +Total Standard Deviation in ln(k): 2.824345813967397 +""", +) + +entry( + index = 2501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C", + kinetics = ArrheniusBM(A=(1.61522e-11,'m^3/(mol*s)'), n=4.33543, w0=(411,'kJ/mol'), E0=(1.22551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06716435815749568, var=19.401302249674988, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C + Total Standard Deviation in ln(k): 8.998993095035905"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C +Total Standard Deviation in ln(k): 8.998993095035905""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C +Total Standard Deviation in ln(k): 8.998993095035905 +""", +) + +entry( + index = 2502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_Sp-8C-7C", + kinetics = ArrheniusBM(A=(0.00544138,'m^3/(mol*s)'), n=2.03478, w0=(411,'kJ/mol'), E0=(28.5166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_Sp-8C-7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_Sp-8C-7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_Sp-8C-7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_Sp-8C-7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_N-Sp-8C-7C", + kinetics = ArrheniusBM(A=(1.27145e-05,'m^3/(mol*s)'), n=2.50354, w0=(411,'kJ/mol'), E0=(31.5428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_N-Sp-8C-7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_N-Sp-8C-7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_N-Sp-8C-7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_Sp-7C-1C_N-Sp-8C-7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_N-Sp-7C-1C", + kinetics = ArrheniusBM(A=(1.06581e-11,'m^3/(mol*s)'), n=4.91883, w0=(411,'kJ/mol'), E0=(41.8027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_N-Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_N-Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8CO->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C", + kinetics = ArrheniusBM(A=(0.000350855,'m^3/(mol*s)'), n=2.69763, w0=(411,'kJ/mol'), E0=(47.5106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020557315217325834, var=15.013543569390167, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C + Total Standard Deviation in ln(k): 7.8194615369237646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C +Total Standard Deviation in ln(k): 7.8194615369237646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C +Total Standard Deviation in ln(k): 7.8194615369237646 +""", +) + +entry( + index = 2506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_Sp-7C-1C", + kinetics = ArrheniusBM(A=(5.52817e-11,'m^3/(mol*s)'), n=4.56001, w0=(411,'kJ/mol'), E0=(36.841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_N-Sp-7C-1C", + kinetics = ArrheniusBM(A=(2.45258e-09,'m^3/(mol*s)'), n=4.2614, w0=(411,'kJ/mol'), E0=(27.1637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_N-Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_N-Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8CO->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Sp-7C-1C", + kinetics = ArrheniusBM(A=(8.12707e-12,'m^3/(mol*s)'), n=4.70918, w0=(411,'kJ/mol'), E0=(29.0458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_N-Sp-7C-1C", + kinetics = ArrheniusBM(A=(1.13654e-10,'m^3/(mol*s)'), n=4.76003, w0=(411,'kJ/mol'), E0=(30.5115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_N-Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_N-Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_7R!H->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.20222e-08,'m^3/(mol*s)'), n=3.99846, w0=(411,'kJ/mol'), E0=(32.3713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022698475679711626, var=7.638369315520857, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 5.597637955420016"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.597637955420016""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.597637955420016 +""", +) + +entry( + index = 2511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C", + kinetics = ArrheniusBM(A=(3.85836e-09,'m^3/(mol*s)'), n=4.14327, w0=(411,'kJ/mol'), E0=(31.6572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051350587979699235, var=7.949712182062424, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C + Total Standard Deviation in ln(k): 5.7814190318560446"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C +Total Standard Deviation in ln(k): 5.7814190318560446""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C +Total Standard Deviation in ln(k): 5.7814190318560446 +""", +) + +entry( + index = 2512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.20095e-07,'m^3/(mol*s)'), n=3.78949, w0=(411,'kJ/mol'), E0=(29.5844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008079236025701325, var=20.231614339015923, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R + Total Standard Deviation in ln(k): 9.037511130773561"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.037511130773561""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.037511130773561 +""", +) + +entry( + index = 2513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.94462e-10,'m^3/(mol*s)'), n=4.56166, w0=(411,'kJ/mol'), E0=(19.2971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_7BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(4.8266e-13,'m^3/(mol*s)'), n=4.92006, w0=(411,'kJ/mol'), E0=(22.5872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_7BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_7BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_N-7BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(1.56392e-12,'m^3/(mol*s)'), n=5.30854, w0=(411,'kJ/mol'), E0=(34.2244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_N-7BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_N-7BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_N-7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_Sp-7BrClFINOPSSi-1C_N-7BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_N-Sp-7BrClFINOPSSi-1C", + kinetics = ArrheniusBM(A=(0.0106108,'m^3/(mol*s)'), n=2.12871, w0=(411,'kJ/mol'), E0=(20.9652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_N-Sp-7BrClFINOPSSi-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_N-Sp-7BrClFINOPSSi-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_N-Sp-7BrClFINOPSSi-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-7R!H->C_N-Sp-7BrClFINOPSSi-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.382294,'m^3/(mol*s)'), n=1.84626, w0=(411,'kJ/mol'), E0=(53.3287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2982892789611432, var=5.795061077835794, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.575455889231329"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.575455889231329""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.575455889231329 +""", +) + +entry( + index = 2518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(32.6866,'m^3/(mol*s)'), n=1.24877, w0=(411,'kJ/mol'), E0=(59.4062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3349585463428187, var=5.851537049980613, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.691048615768308"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.691048615768308""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.691048615768308 +""", +) + +entry( + index = 2519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(10.469,'m^3/(mol*s)'), n=1.36204, w0=(411,'kJ/mol'), E0=(55.4743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31375903956369006, var=4.975887559868947, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 5.260241201113"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 5.260241201113""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 5.260241201113 +""", +) + +entry( + index = 2520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(18913.8,'m^3/(mol*s)'), n=0.431868, w0=(411,'kJ/mol'), E0=(63.318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3713610609171562, var=10.811642109849712, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C + Total Standard Deviation in ln(k): 7.524849746481389"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C +Total Standard Deviation in ln(k): 7.524849746481389""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C +Total Standard Deviation in ln(k): 7.524849746481389 +""", +) + +entry( + index = 2521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.27583e-11,'m^3/(mol*s)'), n=4.49891, w0=(411,'kJ/mol'), E0=(30.288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(6.31147e-11,'m^3/(mol*s)'), n=4.37785, w0=(411,'kJ/mol'), E0=(33.4685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(1.14453e-08,'m^3/(mol*s)'), n=4.13725, w0=(411,'kJ/mol'), E0=(10.1777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13714532864366008, var=4.863626322150671, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 4.765754981159056"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 4.765754981159056""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 4.765754981159056 +""", +) + +entry( + index = 2524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(9.11913e-08,'m^3/(mol*s)'), n=4.01694, w0=(411,'kJ/mol'), E0=(25.4261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(5.65996e-08,'m^3/(mol*s)'), n=3.80042, w0=(411,'kJ/mol'), E0=(17.1642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.70623e-09,'m^3/(mol*s)'), n=4.06592, w0=(411,'kJ/mol'), E0=(32.6373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11207326282429596, var=2.8174541416532466, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 3.646593815489693"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 3.646593815489693""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 3.646593815489693 +""", +) + +entry( + index = 2527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.86243e-10,'m^3/(mol*s)'), n=4.20116, w0=(411,'kJ/mol'), E0=(27.2334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.6977e-12,'m^3/(mol*s)'), n=4.82918, w0=(411,'kJ/mol'), E0=(26.6022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(168.799,'m^3/(mol*s)'), n=1.09321, w0=(411,'kJ/mol'), E0=(65.8023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18086393389457653, var=18.31660031416593, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 9.034276632739791"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 9.034276632739791""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 9.034276632739791 +""", +) + +entry( + index = 2530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(245.123,'m^3/(mol*s)'), n=1.15559, w0=(411,'kJ/mol'), E0=(68.4401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36691429175459034, var=41.29813114920437, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C + Total Standard Deviation in ln(k): 13.805048931476772"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C +Total Standard Deviation in ln(k): 13.805048931476772""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C +Total Standard Deviation in ln(k): 13.805048931476772 +""", +) + +entry( + index = 2531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(1.84341e-11,'m^3/(mol*s)'), n=4.9232, w0=(411,'kJ/mol'), E0=(41.2743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_Sp-6R!H=1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_Sp-6R!H=1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_Sp-6R!H=1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_Sp-6R!H=1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(157778,'m^3/(mol*s)'), n=0.347142, w0=(411,'kJ/mol'), E0=(72.7793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20987625831532952, var=102.8002572532807, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 20.853428792087794"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 20.853428792087794""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 20.853428792087794 +""", +) + +entry( + index = 2533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_1C-inRing", + kinetics = ArrheniusBM(A=(1.47159e-06,'m^3/(mol*s)'), n=3.83785, w0=(411,'kJ/mol'), E0=(31.0165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.77092e-12,'m^3/(mol*s)'), n=4.87312, w0=(411,'kJ/mol'), E0=(39.3163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_N-1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_N-1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H=1C_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.30894e-07,'m^3/(mol*s)'), n=3.40168, w0=(411,'kJ/mol'), E0=(37.2842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.8231879169590743, var=21.329663949542475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 16.35211530996398"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 16.35211530996398""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 16.35211530996398 +""", +) + +entry( + index = 2536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(2.78919e-11,'m^3/(mol*s)'), n=4.45147, w0=(411,'kJ/mol'), E0=(30.0212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(0.242699,'m^3/(mol*s)'), n=1.63188, w0=(411,'kJ/mol'), E0=(30.2724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_N-Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-7R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(1.0645e-05,'m^3/(mol*s)'), n=3.44975, w0=(411,'kJ/mol'), E0=(40.8997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.058574904943325, var=2.401180925715716, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 3.253659350359786"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.253659350359786""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.253659350359786 +""", +) + +entry( + index = 2539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + kinetics = ArrheniusBM(A=(1.52825e-08,'m^3/(mol*s)'), n=4.31672, w0=(411,'kJ/mol'), E0=(27.6345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.58739e-12,'m^3/(mol*s)'), n=5.37942, w0=(411,'kJ/mol'), E0=(24.9254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07856997238164128, var=1.3914952979204884, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + Total Standard Deviation in ln(k): 2.5622307454977578"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 2.5622307454977578""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 2.5622307454977578 +""", +) + +entry( + index = 2541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.0686e-10,'m^3/(mol*s)'), n=4.85315, w0=(411,'kJ/mol'), E0=(25.905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(2.50806e-08,'m^3/(mol*s)'), n=3.83631, w0=(411,'kJ/mol'), E0=(33.7124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11327838391291764, var=9.699493563302052, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 6.528167976622133"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 6.528167976622133""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 6.528167976622133 +""", +) + +entry( + index = 2543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl", + kinetics = ArrheniusBM(A=(3.90271e-07,'m^3/(mol*s)'), n=3.54531, w0=(411,'kJ/mol'), E0=(33.1893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09537168418049871, var=28.37521413488455, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl + Total Standard Deviation in ln(k): 10.918528417945154"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl +Total Standard Deviation in ln(k): 10.918528417945154""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl +Total Standard Deviation in ln(k): 10.918528417945154 +""", +) + +entry( + index = 2544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.35778e-05,'m^3/(mol*s)'), n=2.72933, w0=(411,'kJ/mol'), E0=(34.7335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10615026018341453, var=86.99292215218469, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 18.964872527364886"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 18.964872527364886""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 18.964872527364886 +""", +) + +entry( + index = 2545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.52767e-09,'m^3/(mol*s)'), n=4.41464, w0=(411,'kJ/mol'), E0=(16.1569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H->Cl_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(1.22701e-09,'m^3/(mol*s)'), n=4.16126, w0=(411,'kJ/mol'), E0=(33.9409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10167656867520436, var=5.19856189748027, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl + Total Standard Deviation in ln(k): 4.826335917200238"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl +Total Standard Deviation in ln(k): 4.826335917200238""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl +Total Standard Deviation in ln(k): 4.826335917200238 +""", +) + +entry( + index = 2547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C", + kinetics = ArrheniusBM(A=(1.09526e-09,'m^3/(mol*s)'), n=4.28222, w0=(411,'kJ/mol'), E0=(32.3098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1788940889573505, var=0.013930957823896159, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C + Total Standard Deviation in ln(k): 0.6861004715322735"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C +Total Standard Deviation in ln(k): 0.6861004715322735""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C +Total Standard Deviation in ln(k): 0.6861004715322735 +""", +) + +entry( + index = 2548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.67529e-09,'m^3/(mol*s)'), n=4.00079, w0=(411,'kJ/mol'), E0=(31.5612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_6CO->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_N-6CO->C", + kinetics = ArrheniusBM(A=(2.83272e-13,'m^3/(mol*s)'), n=4.98955, w0=(411,'kJ/mol'), E0=(27.9666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_N-6CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_N-6CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_N-6CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->Cl_N-6CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.317855,'m^3/(mol*s)'), n=2.00036, w0=(411,'kJ/mol'), E0=(51.3055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2375590785427682, var=4.766016120553794, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 4.9734608119568025"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.9734608119568025""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.9734608119568025 +""", +) + +entry( + index = 2551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.455888,'m^3/(mol*s)'), n=1.93421, w0=(411,'kJ/mol'), E0=(51.5416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24870935974461006, var=4.591951427245981, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.9208124185100415"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.9208124185100415""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.9208124185100415 +""", +) + +entry( + index = 2552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O", + kinetics = ArrheniusBM(A=(1.71081e-08,'m^3/(mol*s)'), n=4.1831, w0=(411,'kJ/mol'), E0=(34.5711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051136689873221404, var=2.4563515242134284, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O + Total Standard Deviation in ln(k): 3.270455696666623"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O +Total Standard Deviation in ln(k): 3.270455696666623""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O +Total Standard Deviation in ln(k): 3.270455696666623 +""", +) + +entry( + index = 2553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_Sp-6O-1C", + kinetics = ArrheniusBM(A=(3.7181e-12,'m^3/(mol*s)'), n=5.05659, w0=(411,'kJ/mol'), E0=(26.2493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_Sp-6O-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_Sp-6O-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C", + kinetics = ArrheniusBM(A=(1.65487e-11,'m^3/(mol*s)'), n=5.13476, w0=(411,'kJ/mol'), E0=(26.3819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.048993867748540566, var=0.2170992989357567, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C + Total Standard Deviation in ln(k): 1.0571847441492397"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C +Total Standard Deviation in ln(k): 1.0571847441492397""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C +Total Standard Deviation in ln(k): 1.0571847441492397 +""", +) + +entry( + index = 2555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.78472e-10,'m^3/(mol*s)'), n=4.79279, w0=(411,'kJ/mol'), E0=(24.8072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_6R!H->O_N-Sp-6O-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(5.52135,'m^3/(mol*s)'), n=1.60265, w0=(411,'kJ/mol'), E0=(54.0135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2751581564576634, var=5.269444194971638, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O + Total Standard Deviation in ln(k): 5.2932756443383555"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O +Total Standard Deviation in ln(k): 5.2932756443383555""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O +Total Standard Deviation in ln(k): 5.2932756443383555 +""", +) + +entry( + index = 2557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(363.328,'m^3/(mol*s)'), n=1.03378, w0=(411,'kJ/mol'), E0=(58.3389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31885306763576443, var=5.7979824384546745, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 5.6283399655964095"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 5.6283399655964095""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 5.6283399655964095 +""", +) + +entry( + index = 2558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_1C-inRing", + kinetics = ArrheniusBM(A=(9.55985e-07,'m^3/(mol*s)'), n=3.88897, w0=(411,'kJ/mol'), E0=(28.8329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing", + kinetics = ArrheniusBM(A=(10.6663,'m^3/(mol*s)'), n=1.44265, w0=(411,'kJ/mol'), E0=(54.6479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2669669143495052, var=5.525189917525214, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing + Total Standard Deviation in ln(k): 5.383045789525977"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing +Total Standard Deviation in ln(k): 5.383045789525977""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing +Total Standard Deviation in ln(k): 5.383045789525977 +""", +) + +entry( + index = 2560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C", + kinetics = ArrheniusBM(A=(1.7792e-09,'m^3/(mol*s)'), n=4.1598, w0=(411,'kJ/mol'), E0=(31.5607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03192298276882895, var=3.62393178600745, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C + Total Standard Deviation in ln(k): 3.896547947891112"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C +Total Standard Deviation in ln(k): 3.896547947891112""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C +Total Standard Deviation in ln(k): 3.896547947891112 +""", +) + +entry( + index = 2561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.72931e-09,'m^3/(mol*s)'), n=4.01931, w0=(411,'kJ/mol'), E0=(27.0039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09495914526773631, var=10.879962200192688, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R + Total Standard Deviation in ln(k): 6.851166910745823"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.851166910745823""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.851166910745823 +""", +) + +entry( + index = 2562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(8.01922e-11,'m^3/(mol*s)'), n=4.64641, w0=(411,'kJ/mol'), E0=(24.4518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.95955e-09,'m^3/(mol*s)'), n=4.02057, w0=(411,'kJ/mol'), E0=(23.0845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(9.73862e-11,'m^3/(mol*s)'), n=4.06418, w0=(411,'kJ/mol'), E0=(27.609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R", + kinetics = ArrheniusBM(A=(7.54898e-11,'m^3/(mol*s)'), n=4.57839, w0=(411,'kJ/mol'), E0=(31.1445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026123529770063342, var=3.262338455939535, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R + Total Standard Deviation in ln(k): 3.68657841590405"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R +Total Standard Deviation in ln(k): 3.68657841590405""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R +Total Standard Deviation in ln(k): 3.68657841590405 +""", +) + +entry( + index = 2566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C", + kinetics = ArrheniusBM(A=(4.6045e-08,'m^3/(mol*s)'), n=3.69133, w0=(411,'kJ/mol'), E0=(35.8471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053274217352104296, var=3.4187726068563826, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C + Total Standard Deviation in ln(k): 3.840594583235889"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C +Total Standard Deviation in ln(k): 3.840594583235889""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C +Total Standard Deviation in ln(k): 3.840594583235889 +""", +) + +entry( + index = 2567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C", + kinetics = ArrheniusBM(A=(2.93452e-09,'m^3/(mol*s)'), n=3.88374, w0=(411,'kJ/mol'), E0=(33.279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03993374568491472, var=3.1609249264087658, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C + Total Standard Deviation in ln(k): 3.664552574508667"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C +Total Standard Deviation in ln(k): 3.664552574508667""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C +Total Standard Deviation in ln(k): 3.664552574508667 +""", +) + +entry( + index = 2568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.29785e-12,'m^3/(mol*s)'), n=4.74661, w0=(411,'kJ/mol'), E0=(29.4826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.56756e-10,'m^3/(mol*s)'), n=4.39089, w0=(411,'kJ/mol'), E0=(30.4758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0076950159397946895, var=2.0009983586130287, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C + Total Standard Deviation in ln(k): 2.855165275535043"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C +Total Standard Deviation in ln(k): 2.855165275535043""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C +Total Standard Deviation in ln(k): 2.855165275535043 +""", +) + +entry( + index = 2570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(6.65193e-10,'m^3/(mol*s)'), n=4.32565, w0=(411,'kJ/mol'), E0=(23.5016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_Sp-7R!H-6C_N-7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C", + kinetics = ArrheniusBM(A=(2.37883e-22,'m^3/(mol*s)'), n=8.05181, w0=(411,'kJ/mol'), E0=(0.712049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09628877851081709, var=10.773509586694399, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C + Total Standard Deviation in ln(k): 6.822078525605122"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C +Total Standard Deviation in ln(k): 6.822078525605122""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C +Total Standard Deviation in ln(k): 6.822078525605122 +""", +) + +entry( + index = 2572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_7R!H->C", + kinetics = ArrheniusBM(A=(4.692e-12,'m^3/(mol*s)'), n=4.97969, w0=(411,'kJ/mol'), E0=(35.2188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.32312e-10,'m^3/(mol*s)'), n=4.73905, w0=(411,'kJ/mol'), E0=(34.7243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_Sp-6C-1C_Ext-6C-R_N-Sp-7R!H-6C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C", + kinetics = ArrheniusBM(A=(5.77082e-08,'m^3/(mol*s)'), n=4.07776, w0=(411,'kJ/mol'), E0=(22.8437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07276864379844404, var=6.184111291801073, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C + Total Standard Deviation in ln(k): 5.16818560597627"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C +Total Standard Deviation in ln(k): 5.16818560597627""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C +Total Standard Deviation in ln(k): 5.16818560597627 +""", +) + +entry( + index = 2575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R", + kinetics = ArrheniusBM(A=(5.89532e-05,'m^3/(mol*s)'), n=3.14779, w0=(411,'kJ/mol'), E0=(35.6625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11600510353942815, var=9.07953377670912, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R + Total Standard Deviation in ln(k): 6.332190915658885"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R +Total Standard Deviation in ln(k): 6.332190915658885""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R +Total Standard Deviation in ln(k): 6.332190915658885 +""", +) + +entry( + index = 2576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.16182e-09,'m^3/(mol*s)'), n=4.29998, w0=(411,'kJ/mol'), E0=(15.0356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.043755829654404166, var=9.936551455901075, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.429324523130074"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.429324523130074""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.429324523130074 +""", +) + +entry( + index = 2577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.22607e-07,'m^3/(mol*s)'), n=3.96358, w0=(411,'kJ/mol'), E0=(17.9029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.69819e-09,'m^3/(mol*s)'), n=4.29101, w0=(411,'kJ/mol'), E0=(26.9371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.0137487,'m^3/(mol*s)'), n=2.1057, w0=(411,'kJ/mol'), E0=(41.6695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.12519,'m^3/(mol*s)'), n=1.81454, w0=(411,'kJ/mol'), E0=(32.4339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C_N-1C-inRing_N-Sp-6C-1C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.72761e-16,'m^3/(mol*s)'), n=6.55765, w0=(411,'kJ/mol'), E0=(11.6083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03255203674653976, var=2.1851929492768356, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 3.0452682460507683"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 3.0452682460507683""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 3.0452682460507683 +""", +) + +entry( + index = 2582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_6ClF->F", + kinetics = ArrheniusBM(A=(1.31227e-11,'m^3/(mol*s)'), n=5.22029, w0=(411,'kJ/mol'), E0=(33.9366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_6ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_6ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_6ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F", + kinetics = ArrheniusBM(A=(9.91936e-12,'m^3/(mol*s)'), n=5.16362, w0=(411,'kJ/mol'), E0=(21.964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03214072825158015, var=5.757263122755089, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F + Total Standard Deviation in ln(k): 4.890976583174971"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F +Total Standard Deviation in ln(k): 4.890976583174971""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F +Total Standard Deviation in ln(k): 4.890976583174971 +""", +) + +entry( + index = 2584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.59152e-10,'m^3/(mol*s)'), n=4.65977, w0=(411,'kJ/mol'), E0=(18.7961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-3C-R_N-5R!H->C_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C_N-6ClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.56492e-08,'m^3/(mol*s)'), n=3.69109, w0=(411,'kJ/mol'), E0=(42.9742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1877542043493441, var=2.889708321071879, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 3.879621877211418"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 3.879621877211418""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 3.879621877211418 +""", +) + +entry( + index = 2586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.29053e-11,'m^3/(mol*s)'), n=4.72451, w0=(411,'kJ/mol'), E0=(36.1353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06488569278917465, var=2.586137407615594, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.3869384745534536"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.3869384745534536""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.3869384745534536 +""", +) + +entry( + index = 2587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(2.04534e-22,'m^3/(mol*s)'), n=7.94483, w0=(411,'kJ/mol'), E0=(0.345605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026980858736202522, var=1.773369469638118, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.737455089812724"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.737455089812724""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.737455089812724 +""", +) + +entry( + index = 2588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(3.50763e-23,'m^3/(mol*s)'), n=8.18363, w0=(411,'kJ/mol'), E0=(1.55072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2934737750858249, var=2.83843469931104, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C + Total Standard Deviation in ln(k): 4.114879735268483"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C +Total Standard Deviation in ln(k): 4.114879735268483""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C +Total Standard Deviation in ln(k): 4.114879735268483 +""", +) + +entry( + index = 2589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.18738e-10,'m^3/(mol*s)'), n=4.50187, w0=(411,'kJ/mol'), E0=(33.766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_6R!H->C", + kinetics = ArrheniusBM(A=(6.061e-12,'m^3/(mol*s)'), n=4.91044, w0=(411,'kJ/mol'), E0=(46.1755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.23738e-10,'m^3/(mol*s)'), n=4.49139, w0=(411,'kJ/mol'), E0=(40.1929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_Sp-5R!H-1C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(1.05467e-10,'m^3/(mol*s)'), n=4.55998, w0=(411,'kJ/mol'), E0=(40.0076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1232010949143944, var=9.290822534609976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C + Total Standard Deviation in ln(k): 6.420153528928684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 6.420153528928684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 6.420153528928684 +""", +) + +entry( + index = 2593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_6R!H->C", + kinetics = ArrheniusBM(A=(7.40273e-12,'m^3/(mol*s)'), n=4.88896, w0=(411,'kJ/mol'), E0=(46.2601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(9.82185e-09,'m^3/(mol*s)'), n=3.99738, w0=(411,'kJ/mol'), E0=(35.8102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-Sp-5R!H-1C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(2.95137e-10,'m^3/(mol*s)'), n=4.18668, w0=(411,'kJ/mol'), E0=(37.6688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1804244158353812, var=2.7352383799482585, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.7688700330297045"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.7688700330297045""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.7688700330297045 +""", +) + +entry( + index = 2596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(0.00488768,'m^3/(mol*s)'), n=1.9589, w0=(411,'kJ/mol'), E0=(50.7472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13452099204783716, var=1.7151387456166765, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C + Total Standard Deviation in ln(k): 2.963459771461257"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C +Total Standard Deviation in ln(k): 2.963459771461257""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C +Total Standard Deviation in ln(k): 2.963459771461257 +""", +) + +entry( + index = 2597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0340586,'m^3/(mol*s)'), n=1.73617, w0=(411,'kJ/mol'), E0=(50.0449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0205808,'m^3/(mol*s)'), n=1.76119, w0=(411,'kJ/mol'), E0=(55.3862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Sp-5R!H=1C_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(3.76643e-10,'m^3/(mol*s)'), n=4.16271, w0=(411,'kJ/mol'), E0=(38.1783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20000649114864202, var=2.996464667081113, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C + Total Standard Deviation in ln(k): 3.972785321021872"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 3.972785321021872""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 3.972785321021872 +""", +) + +entry( + index = 2600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C", + kinetics = ArrheniusBM(A=(8.30509e-06,'m^3/(mol*s)'), n=2.73449, w0=(411,'kJ/mol'), E0=(47.2622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.9133981850618893, var=34.93419826958214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C + Total Standard Deviation in ln(k): 21.68167731775886"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 21.68167731775886""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 21.68167731775886 +""", +) + +entry( + index = 2601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_1C-inRing", + kinetics = ArrheniusBM(A=(0.47583,'m^3/(mol*s)'), n=1.38042, w0=(411,'kJ/mol'), E0=(27.7639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.50876e-11,'m^3/(mol*s)'), n=4.37854, w0=(411,'kJ/mol'), E0=(35.3494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_N-1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_N-1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_6R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(5.90523e-12,'m^3/(mol*s)'), n=4.74604, w0=(411,'kJ/mol'), E0=(34.3359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11955707521849979, var=2.9804539219148753, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C + Total Standard Deviation in ln(k): 3.761367535018909"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 3.761367535018909""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 3.761367535018909 +""", +) + +entry( + index = 2604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.96908e-12,'m^3/(mol*s)'), n=4.89653, w0=(411,'kJ/mol'), E0=(34.9334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.41227e-11,'m^3/(mol*s)'), n=4.37357, w0=(411,'kJ/mol'), E0=(35.825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_N-Sp-5R!H=1C_N-6R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(7.1311e-11,'m^3/(mol*s)'), n=4.90808, w0=(411,'kJ/mol'), E0=(32.1244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07590828200222258, var=1.1406076138533, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C + Total Standard Deviation in ln(k): 2.331766010081709"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C +Total Standard Deviation in ln(k): 2.331766010081709""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C +Total Standard Deviation in ln(k): 2.331766010081709 +""", +) + +entry( + index = 2607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_5R!H->C", + kinetics = ArrheniusBM(A=(1.45717e-09,'m^3/(mol*s)'), n=4.51785, w0=(411,'kJ/mol'), E0=(32.6723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.92444e-13,'m^3/(mol*s)'), n=5.65149, w0=(411,'kJ/mol'), E0=(26.4595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11340605106281536, var=3.786544242270384, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C + Total Standard Deviation in ln(k): 4.185962793552986"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 4.185962793552986""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 4.185962793552986 +""", +) + +entry( + index = 2609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.29329e-10,'m^3/(mol*s)'), n=4.76174, w0=(411,'kJ/mol'), E0=(31.5086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(2.36936e-11,'m^3/(mol*s)'), n=4.68627, w0=(411,'kJ/mol'), E0=(31.0875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11991064994596319, var=0.8042186464448631, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C + Total Standard Deviation in ln(k): 2.0990941445094076"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 2.0990941445094076""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 2.0990941445094076 +""", +) + +entry( + index = 2611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl", + kinetics = ArrheniusBM(A=(6.21218e-19,'m^3/(mol*s)'), n=6.82346, w0=(411,'kJ/mol'), E0=(0.71179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15838587233574092, var=0.786798777608897, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl + Total Standard Deviation in ln(k): 2.176188117064772"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl +Total Standard Deviation in ln(k): 2.176188117064772""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl +Total Standard Deviation in ln(k): 2.176188117064772 +""", +) + +entry( + index = 2612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(2.27691e-11,'m^3/(mol*s)'), n=4.84929, w0=(411,'kJ/mol'), E0=(32.1221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.6968e-17,'m^3/(mol*s)'), n=6.1887, w0=(411,'kJ/mol'), E0=(2.89385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1352248919466841, var=1.1799533350601188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 2.517417683225114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.517417683225114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.517417683225114 +""", +) + +entry( + index = 2614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.55087e-08,'m^3/(mol*s)'), n=3.48762, w0=(411,'kJ/mol'), E0=(22.593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_5R!H->Cl_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(4.43658e-11,'m^3/(mol*s)'), n=4.63446, w0=(411,'kJ/mol'), E0=(35.3466,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15416753140352, var=1.1632072578670465, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl + Total Standard Deviation in ln(k): 2.549504217820309"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.549504217820309""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.549504217820309 +""", +) + +entry( + index = 2616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_5CFO->F", + kinetics = ArrheniusBM(A=(1.90387e-12,'m^3/(mol*s)'), n=5.11501, w0=(411,'kJ/mol'), E0=(33.0353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_5CFO->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_5CFO->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_5CFO->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_5CFO->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F", + kinetics = ArrheniusBM(A=(6.7211e-12,'m^3/(mol*s)'), n=4.8397, w0=(411,'kJ/mol'), E0=(32.9334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12386886422140347, var=2.01163794000329, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F + Total Standard Deviation in ln(k): 3.154588621861927"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F +Total Standard Deviation in ln(k): 3.154588621861927""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F +Total Standard Deviation in ln(k): 3.154588621861927 +""", +) + +entry( + index = 2618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.53471e-11,'m^3/(mol*s)'), n=4.73759, w0=(411,'kJ/mol'), E0=(32.094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_5CO->C", + kinetics = ArrheniusBM(A=(1.38962e-10,'m^3/(mol*s)'), n=4.48551, w0=(411,'kJ/mol'), E0=(37.3575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_N-5CO->C", + kinetics = ArrheniusBM(A=(5.22667e-13,'m^3/(mol*s)'), n=5.03036, w0=(411,'kJ/mol'), E0=(31.6452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_N-5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_N-5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_4BrCClNOS->Cl_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->Cl_N-5CFO->F_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl", + kinetics = ArrheniusBM(A=(0.0284655,'m^3/(mol*s)'), n=2.27477, w0=(411,'kJ/mol'), E0=(59.0599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15085724644634937, var=5.962222704280221, Tref=1000.0, N=2930, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl',), comment="""BM rule fitted to 2930 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl + Total Standard Deviation in ln(k): 5.274132876674096"""), + rank = 11, + shortDesc = """BM rule fitted to 2930 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl +Total Standard Deviation in ln(k): 5.274132876674096""", + longDesc = +""" +BM rule fitted to 2930 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl +Total Standard Deviation in ln(k): 5.274132876674096 +""", +) + +entry( + index = 2622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br", + kinetics = ArrheniusBM(A=(1.46728e-11,'m^3/(mol*s)'), n=5.0592, w0=(411,'kJ/mol'), E0=(32.3008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.044257930530074104, var=0.22087866400091674, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br + Total Standard Deviation in ln(k): 1.0533808125351038"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br +Total Standard Deviation in ln(k): 1.0533808125351038""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br +Total Standard Deviation in ln(k): 1.0533808125351038 +""", +) + +entry( + index = 2623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.68391e-12,'m^3/(mol*s)'), n=5.15436, w0=(411,'kJ/mol'), E0=(29.6771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0007650529040758716, var=0.4292865757904135, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R + Total Standard Deviation in ln(k): 1.3154239560080299"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R +Total Standard Deviation in ln(k): 1.3154239560080299""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R +Total Standard Deviation in ln(k): 1.3154239560080299 +""", +) + +entry( + index = 2624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_5R!H->O", + kinetics = ArrheniusBM(A=(1.0712e-10,'m^3/(mol*s)'), n=4.78244, w0=(411,'kJ/mol'), E0=(30.5682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(3.36646e-16,'m^3/(mol*s)'), n=6.36777, w0=(411,'kJ/mol'), E0=(19.089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09633170025956254, var=0.44138441434581965, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O + Total Standard Deviation in ln(k): 1.5739206404481916"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O +Total Standard Deviation in ln(k): 1.5739206404481916""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O +Total Standard Deviation in ln(k): 1.5739206404481916 +""", +) + +entry( + index = 2626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C", + kinetics = ArrheniusBM(A=(2.14238e-12,'m^3/(mol*s)'), n=5.32223, w0=(411,'kJ/mol'), E0=(30.6772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14337055277749516, var=1.1229574355873662, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C + Total Standard Deviation in ln(k): 2.484638986654674"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 2.484638986654674""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 2.484638986654674 +""", +) + +entry( + index = 2627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.61472e-12,'m^3/(mol*s)'), n=5.14878, w0=(411,'kJ/mol'), E0=(32.8807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C", + kinetics = ArrheniusBM(A=(5.42006e-10,'m^3/(mol*s)'), n=4.50085, w0=(411,'kJ/mol'), E0=(33.3521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_4BrCNOS->Br_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br", + kinetics = ArrheniusBM(A=(0.030432,'m^3/(mol*s)'), n=2.26591, w0=(411,'kJ/mol'), E0=(59.1469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1504001885416504, var=5.990606195127765, Tref=1000.0, N=2925, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br',), comment="""BM rule fitted to 2925 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br + Total Standard Deviation in ln(k): 5.284622339944835"""), + rank = 11, + shortDesc = """BM rule fitted to 2925 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br +Total Standard Deviation in ln(k): 5.284622339944835""", + longDesc = +""" +BM rule fitted to 2925 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br +Total Standard Deviation in ln(k): 5.284622339944835 +""", +) + +entry( + index = 2630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C", + kinetics = ArrheniusBM(A=(0.000117996,'m^3/(mol*s)'), n=2.94813, w0=(411,'kJ/mol'), E0=(53.9455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11053093850146752, var=5.32838385167554, Tref=1000.0, N=2820, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C',), comment="""BM rule fitted to 2820 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C + Total Standard Deviation in ln(k): 4.905304511082257"""), + rank = 11, + shortDesc = """BM rule fitted to 2820 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C +Total Standard Deviation in ln(k): 4.905304511082257""", + longDesc = +""" +BM rule fitted to 2820 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C +Total Standard Deviation in ln(k): 4.905304511082257 +""", +) + +entry( + index = 2631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0149661,'m^3/(mol*s)'), n=2.31111, w0=(411,'kJ/mol'), E0=(56.3914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12105079323833244, var=9.527527931159488, Tref=1000.0, N=2196, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R',), comment="""BM rule fitted to 2196 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R + Total Standard Deviation in ln(k): 6.492102122752902"""), + rank = 11, + shortDesc = """BM rule fitted to 2196 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R +Total Standard Deviation in ln(k): 6.492102122752902""", + longDesc = +""" +BM rule fitted to 2196 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R +Total Standard Deviation in ln(k): 6.492102122752902 +""", +) + +entry( + index = 2632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.0110594,'m^3/(mol*s)'), n=2.33993, w0=(411,'kJ/mol'), E0=(56.3507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10010233623757, var=8.385857786894015, Tref=1000.0, N=1739, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 1739 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 6.056894524241852"""), + rank = 11, + shortDesc = """BM rule fitted to 1739 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 6.056894524241852""", + longDesc = +""" +BM rule fitted to 1739 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 6.056894524241852 +""", +) + +entry( + index = 2633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00383064,'m^3/(mol*s)'), n=2.42729, w0=(411,'kJ/mol'), E0=(54.5084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04015492605466207, var=9.920307881674091, Tref=1000.0, N=1057, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1057 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 6.415109671092239"""), + rank = 11, + shortDesc = """BM rule fitted to 1057 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 6.415109671092239""", + longDesc = +""" +BM rule fitted to 1057 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 6.415109671092239 +""", +) + +entry( + index = 2634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S", + kinetics = ArrheniusBM(A=(0.128681,'m^3/(mol*s)'), n=2.01614, w0=(411,'kJ/mol'), E0=(59.0165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07672939925038559, var=8.612842243167178, Tref=1000.0, N=391, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S',), comment="""BM rule fitted to 391 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S + Total Standard Deviation in ln(k): 6.076212626401769"""), + rank = 11, + shortDesc = """BM rule fitted to 391 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S +Total Standard Deviation in ln(k): 6.076212626401769""", + longDesc = +""" +BM rule fitted to 391 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S +Total Standard Deviation in ln(k): 6.076212626401769 +""", +) + +entry( + index = 2635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.3861,'m^3/(mol*s)'), n=1.73561, w0=(411,'kJ/mol'), E0=(64.0682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11862443572979357, var=8.789660133206, Tref=1000.0, N=304, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R',), comment="""BM rule fitted to 304 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R + Total Standard Deviation in ln(k): 6.241561797750751"""), + rank = 11, + shortDesc = """BM rule fitted to 304 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R +Total Standard Deviation in ln(k): 6.241561797750751""", + longDesc = +""" +BM rule fitted to 304 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R +Total Standard Deviation in ln(k): 6.241561797750751 +""", +) + +entry( + index = 2636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.424651,'m^3/(mol*s)'), n=1.81823, w0=(411,'kJ/mol'), E0=(57.0319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12856615624727147, var=8.15368460569568, Tref=1000.0, N=217, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C',), comment="""BM rule fitted to 217 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C + Total Standard Deviation in ln(k): 6.047482879307574"""), + rank = 11, + shortDesc = """BM rule fitted to 217 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 6.047482879307574""", + longDesc = +""" +BM rule fitted to 217 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C +Total Standard Deviation in ln(k): 6.047482879307574 +""", +) + +entry( + index = 2637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.335607,'m^3/(mol*s)'), n=1.84048, w0=(411,'kJ/mol'), E0=(56.5364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13301405019907528, var=8.312961043220287, Tref=1000.0, N=212, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 212 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.114299634163956"""), + rank = 11, + shortDesc = """BM rule fitted to 212 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.114299634163956""", + longDesc = +""" +BM rule fitted to 212 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.114299634163956 +""", +) + +entry( + index = 2638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(3491.32,'m^3/(mol*s)'), n=0.934643, w0=(411,'kJ/mol'), E0=(91.1262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17553474224826218, var=15.920725670344432, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C + Total Standard Deviation in ln(k): 8.440092204071657"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 8.440092204071657""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 8.440092204071657 +""", +) + +entry( + index = 2639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.90401e-09,'m^3/(mol*s)'), n=4.32309, w0=(411,'kJ/mol'), E0=(33.3971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27338941149129276, var=1.001668981249114, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.6933153816531306"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6933153816531306""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6933153816531306 +""", +) + +entry( + index = 2640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_4C-inRing", + kinetics = ArrheniusBM(A=(7.11724e-10,'m^3/(mol*s)'), n=4.58779, w0=(411,'kJ/mol'), E0=(31.693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2997480551564083, var=1.0498222795519405, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_4C-inRing + Total Standard Deviation in ln(k): 2.8072041252860163"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_4C-inRing +Total Standard Deviation in ln(k): 2.8072041252860163""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_4C-inRing +Total Standard Deviation in ln(k): 2.8072041252860163 +""", +) + +entry( + index = 2641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(8.62032e-09,'m^3/(mol*s)'), n=4.27504, w0=(411,'kJ/mol'), E0=(33.3666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2760716833723862, var=2.3716682051781923, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing + Total Standard Deviation in ln(k): 3.780983858459901"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 3.780983858459901""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 3.780983858459901 +""", +) + +entry( + index = 2642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(6.6e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(32.0831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(8.99463e-10,'m^3/(mol*s)'), n=4.54039, w0=(411,'kJ/mol'), E0=(31.1636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2391083009271607, var=7.858510599526669, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 6.220655515375779"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 6.220655515375779""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 6.220655515375779 +""", +) + +entry( + index = 2644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(4.2494e+07,'m^3/(mol*s)'), n=-0.242153, w0=(411,'kJ/mol'), E0=(121.118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2353551446180057, var=22.798154585969492, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C + Total Standard Deviation in ln(k): 10.163435975901866"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C +Total Standard Deviation in ln(k): 10.163435975901866""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C +Total Standard Deviation in ln(k): 10.163435975901866 +""", +) + +entry( + index = 2645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C", + kinetics = ArrheniusBM(A=(0.0232103,'m^3/(mol*s)'), n=2.40351, w0=(411,'kJ/mol'), E0=(67.6336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13812498988553581, var=3.559893002451618, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C + Total Standard Deviation in ln(k): 4.129517448987784"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C +Total Standard Deviation in ln(k): 4.129517448987784""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C +Total Standard Deviation in ln(k): 4.129517448987784 +""", +) + +entry( + index = 2646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.57375e-05,'m^3/(mol*s)'), n=3.23116, w0=(411,'kJ/mol'), E0=(60.8497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23904191981543194, var=3.627714485976265, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.418938536322302"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.418938536322302""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.418938536322302 +""", +) + +entry( + index = 2647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(5.77758e-05,'m^3/(mol*s)'), n=3.23708, w0=(411,'kJ/mol'), E0=(63.0107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11778492492631665, var=1.384171134055152, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 2.654528929974329"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.654528929974329""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.654528929974329 +""", +) + +entry( + index = 2648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(0.000567175,'m^3/(mol*s)'), n=2.96574, w0=(411,'kJ/mol'), E0=(66.3322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15665770209285979, var=2.7152472702218864, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 3.697016255665854"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 3.697016255665854""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 3.697016255665854 +""", +) + +entry( + index = 2649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(7.508e-09,'m^3/(mol*s)'), n=4.34594, w0=(411,'kJ/mol'), E0=(54.7248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2617698054146214, var=6.145425131266969, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 5.627444919368057"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 5.627444919368057""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 5.627444919368057 +""", +) + +entry( + index = 2650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(8.76e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(45.8989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(7.08e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(63.1384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.2e-08,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(44.3763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.13e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(37.3538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.57897e-09,'m^3/(mol*s)'), n=4.31806, w0=(411,'kJ/mol'), E0=(112.671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13202685202339723, var=19.9473658615891, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C + Total Standard Deviation in ln(k): 9.285368591245732"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C +Total Standard Deviation in ln(k): 9.285368591245732""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C +Total Standard Deviation in ln(k): 9.285368591245732 +""", +) + +entry( + index = 2655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.04213e-11,'m^3/(mol*s)'), n=5.06359, w0=(411,'kJ/mol'), E0=(110.253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1875390385522453, var=22.66499279345694, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.015299240793578"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.015299240793578""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.015299240793578 +""", +) + +entry( + index = 2656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(3.64547e-12,'m^3/(mol*s)'), n=5.23933, w0=(411,'kJ/mol'), E0=(107.917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18348990924201877, var=40.6829185201135, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 13.247864296468325"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 13.247864296468325""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 13.247864296468325 +""", +) + +entry( + index = 2657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(3.24616e-15,'m^3/(mol*s)'), n=6.12884, w0=(411,'kJ/mol'), E0=(107.117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16725546455310278, var=135.03693235357858, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 23.71634250414859"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 23.71634250414859""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 23.71634250414859 +""", +) + +entry( + index = 2658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C", + kinetics = ArrheniusBM(A=(5.19e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(87.3277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-Sp-10R!H=9C", + kinetics = ArrheniusBM(A=(6.23e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(158.216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-Sp-10R!H=9C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-Sp-10R!H=9C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-Sp-10R!H=9C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-Sp-10R!H=9C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.18e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(118.992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_Sp-7C=4C_N-8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(83809,'m^3/(mol*s)'), n=0.538961, w0=(411,'kJ/mol'), E0=(93.0584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23917276302362792, var=14.475237356759637, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 8.228219163778283"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 8.228219163778283""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 8.228219163778283 +""", +) + +entry( + index = 2662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1945.47,'m^3/(mol*s)'), n=0.980153, w0=(411,'kJ/mol'), E0=(89.8614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20718752831213932, var=15.948822350425761, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 8.526677013374387"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 8.526677013374387""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 8.526677013374387 +""", +) + +entry( + index = 2663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.21216e-07,'m^3/(mol*s)'), n=3.83092, w0=(411,'kJ/mol'), E0=(44.0483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1592695829127755, var=6.757999753234271, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 5.611714828523456"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.611714828523456""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.611714828523456 +""", +) + +entry( + index = 2664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(6.88673e-08,'m^3/(mol*s)'), n=4.05192, w0=(411,'kJ/mol'), E0=(50.9265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10263614823417039, var=4.801314467564572, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 4.650635613173274"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 4.650635613173274""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 4.650635613173274 +""", +) + +entry( + index = 2665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(7.71807e-17,'m^3/(mol*s)'), n=6.63864, w0=(411,'kJ/mol'), E0=(23.4132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24996839792975786, var=5.876802269215621, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 5.487963491159355"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 5.487963491159355""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 5.487963491159355 +""", +) + +entry( + index = 2666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(8.44841e-09,'m^3/(mol*s)'), n=4.2973, w0=(411,'kJ/mol'), E0=(48.6076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1511106512028778, var=0.5356610817011197, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 1.8469179697986258"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 1.8469179697986258""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 1.8469179697986258 +""", +) + +entry( + index = 2667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(2.17866e-09,'m^3/(mol*s)'), n=4.47511, w0=(411,'kJ/mol'), E0=(48.6357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20467778287183713, var=0.42937410640384177, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing + Total Standard Deviation in ln(k): 1.8279014019083677"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 1.8279014019083677""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 1.8279014019083677 +""", +) + +entry( + index = 2668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(6.01813e-10,'m^3/(mol*s)'), n=4.61285, w0=(411,'kJ/mol'), E0=(47.4361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37007450355092353, var=2.1827487465251663, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing_N-Sp-10C=9C + Total Standard Deviation in ln(k): 3.8916568119014303"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing_N-Sp-10C=9C +Total Standard Deviation in ln(k): 3.8916568119014303""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_4C-inRing_N-Sp-10C=9C +Total Standard Deviation in ln(k): 3.8916568119014303 +""", +) + +entry( + index = 2669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(2.77728e-09,'m^3/(mol*s)'), n=4.42657, w0=(411,'kJ/mol'), E0=(45.2997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12687706749535374, var=1.2001799929915644, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 2.5150285423734737"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 2.5150285423734737""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 2.5150285423734737 +""", +) + +entry( + index = 2670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_Sp-10C=9C", + kinetics = ArrheniusBM(A=(1.01519e-08,'m^3/(mol*s)'), n=4.28756, w0=(411,'kJ/mol'), E0=(48.4702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040192397797559336, var=6.255887631841312, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_Sp-10C=9C + Total Standard Deviation in ln(k): 5.115183690336077"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_Sp-10C=9C +Total Standard Deviation in ln(k): 5.115183690336077""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_Sp-10C=9C +Total Standard Deviation in ln(k): 5.115183690336077 +""", +) + +entry( + index = 2671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(7.60524e-10,'m^3/(mol*s)'), n=4.56545, w0=(411,'kJ/mol'), E0=(42.0122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30715289692832165, var=1.7372252027115929, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_N-Sp-10C=9C + Total Standard Deviation in ln(k): 3.4140587447940995"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_N-Sp-10C=9C +Total Standard Deviation in ln(k): 3.4140587447940995""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-4C-inRing_N-Sp-10C=9C +Total Standard Deviation in ln(k): 3.4140587447940995 +""", +) + +entry( + index = 2672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(5.93167e-08,'m^3/(mol*s)'), n=4.16874, w0=(411,'kJ/mol'), E0=(70.3043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012765498436008639, var=23.423192050856716, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 9.734493190417023"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 9.734493190417023""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 9.734493190417023 +""", +) + +entry( + index = 2673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(1.40123e-08,'m^3/(mol*s)'), n=4.35759, w0=(411,'kJ/mol'), E0=(70.953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07602421243587078, var=51.2126823979718, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_4C-inRing + Total Standard Deviation in ln(k): 14.537508626181264"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 14.537508626181264""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 14.537508626181264 +""", +) + +entry( + index = 2674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.76596e-08,'m^3/(mol*s)'), n=4.31019, w0=(411,'kJ/mol'), E0=(66.1986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04026347687667101, var=101.52591130477262, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 20.30088861479788"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 20.30088861479788""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 20.30088861479788 +""", +) + +entry( + index = 2675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(4.27117e-08,'m^3/(mol*s)'), n=4.05381, w0=(411,'kJ/mol'), E0=(18.8626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15357251755878712, var=9.37625816195864, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_4C-inRing + Total Standard Deviation in ln(k): 6.524494981236037"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 6.524494981236037""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 6.524494981236037 +""", +) + +entry( + index = 2676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.62422e-05,'m^3/(mol*s)'), n=3.19613, w0=(411,'kJ/mol'), E0=(25.9529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012511993587239771, var=0.11031289777753109, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 0.6972775597494539"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 0.6972775597494539""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 0.6972775597494539 +""", +) + +entry( + index = 2677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(0.327109,'m^3/(mol*s)'), n=1.75997, w0=(411,'kJ/mol'), E0=(0.377507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3304916377757868, var=27.262715198557792, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 11.29784661037511"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 11.29784661037511""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 11.29784661037511 +""", +) + +entry( + index = 2678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(0.0677944,'m^3/(mol*s)'), n=1.94548, w0=(411,'kJ/mol'), E0=(-6.38421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47024078269178166, var=133.9026351485363, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_4C-inRing + Total Standard Deviation in ln(k): 24.379563305859186"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 24.379563305859186""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 24.379563305859186 +""", +) + +entry( + index = 2679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.57831,'m^3/(mol*s)'), n=1.57446, w0=(411,'kJ/mol'), E0=(-7.23206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3651953008296127, var=53.8511153247932, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 15.628987536408586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 15.628987536408586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_8R!H->C_N-9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 15.628987536408586 +""", +) + +entry( + index = 2680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.0181e-10,'m^3/(mol*s)'), n=4.69826, w0=(411,'kJ/mol'), E0=(76.4767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07788636783510794, var=19.512011376435026, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 9.051090854700428"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 9.051090854700428""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 9.051090854700428 +""", +) + +entry( + index = 2681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.36758e-12,'m^3/(mol*s)'), n=5.37082, w0=(411,'kJ/mol'), E0=(78.3898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1471513226084251, var=28.988124576990018, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.16334506968686"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.16334506968686""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.16334506968686 +""", +) + +entry( + index = 2682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(6.22726e-09,'m^3/(mol*s)'), n=4.28117, w0=(411,'kJ/mol'), E0=(60.5216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014071559533743573, var=15.632675314729074, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 7.961712940708039"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 7.961712940708039""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 7.961712940708039 +""", +) + +entry( + index = 2683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_4C-inRing", + kinetics = ArrheniusBM(A=(4.33858e-09,'m^3/(mol*s)'), n=4.33538, w0=(411,'kJ/mol'), E0=(59.4352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014396968320993691, var=65.55124992910292, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_4C-inRing + Total Standard Deviation in ln(k): 16.2672555187171"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_4C-inRing +Total Standard Deviation in ln(k): 16.2672555187171""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_4C-inRing +Total Standard Deviation in ln(k): 16.2672555187171 +""", +) + +entry( + index = 2684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-4C-inRing", + kinetics = ArrheniusBM(A=(5.47354e-09,'m^3/(mol*s)'), n=4.28798, w0=(411,'kJ/mol'), E0=(61.0728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03846529182701436, var=39.16610122066648, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-4C-inRing + Total Standard Deviation in ln(k): 12.642845133434731"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-4C-inRing +Total Standard Deviation in ln(k): 12.642845133434731""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-4C-inRing +Total Standard Deviation in ln(k): 12.642845133434731 +""", +) + +entry( + index = 2685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.67443e-09,'m^3/(mol*s)'), n=4.42978, w0=(411,'kJ/mol'), E0=(114.026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10553428404818785, var=37.39378342683409, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 12.524208052661216"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 12.524208052661216""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 12.524208052661216 +""", +) + +entry( + index = 2686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_4C-inRing", + kinetics = ArrheniusBM(A=(2.94378e-09,'m^3/(mol*s)'), n=4.46657, w0=(411,'kJ/mol'), E0=(115.219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13795595123831908, var=157.448691169903, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_4C-inRing + Total Standard Deviation in ln(k): 25.501750140091605"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_4C-inRing +Total Standard Deviation in ln(k): 25.501750140091605""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_4C-inRing +Total Standard Deviation in ln(k): 25.501750140091605 +""", +) + +entry( + index = 2687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.71615e-09,'m^3/(mol*s)'), n=4.41917, w0=(411,'kJ/mol'), E0=(112.601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0750330651674749, var=95.14865999324101, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-4C-inRing + Total Standard Deviation in ln(k): 19.743548131927763"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-4C-inRing +Total Standard Deviation in ln(k): 19.743548131927763""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-4C-inRing +Total Standard Deviation in ln(k): 19.743548131927763 +""", +) + +entry( + index = 2688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(7.16466e-09,'m^3/(mol*s)'), n=4.26161, w0=(411,'kJ/mol'), E0=(69.2109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.022248879091517123, var=15.561404130312635, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 7.964169736272199"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 7.964169736272199""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 7.964169736272199 +""", +) + +entry( + index = 2689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(4.43948e-09,'m^3/(mol*s)'), n=4.33038, w0=(411,'kJ/mol'), E0=(70.335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012618332252128016, var=72.71943491128368, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_4C-inRing + Total Standard Deviation in ln(k): 17.12722127040257"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 17.12722127040257""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 17.12722127040257 +""", +) + +entry( + index = 2690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(5.60357e-09,'m^3/(mol*s)'), n=4.28298, w0=(411,'kJ/mol'), E0=(67.2704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05912179777186257, var=32.900079817703144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 11.647425202756988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 11.647425202756988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 11.647425202756988 +""", +) + +entry( + index = 2691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(8.4678e-10,'m^3/(mol*s)'), n=4.41007, w0=(411,'kJ/mol'), E0=(74.4129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11586178638668458, var=38.96248341856731, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 12.804653429017113"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 12.804653429017113""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 12.804653429017113 +""", +) + +entry( + index = 2692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(5.78251e-10,'m^3/(mol*s)'), n=4.46663, w0=(411,'kJ/mol'), E0=(75.5634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1462485214731266, var=163.74672351224493, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_4C-inRing + Total Standard Deviation in ln(k): 26.020762068984165"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 26.020762068984165""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_4C-inRing +Total Standard Deviation in ln(k): 26.020762068984165 +""", +) + +entry( + index = 2693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(7.31226e-10,'m^3/(mol*s)'), n=4.41923, w0=(411,'kJ/mol'), E0=(72.6722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0811534285805498, var=100.0870487475498, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 20.259977446679862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 20.259977446679862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_Ext-1C-R_N-8R!H->C_N-9R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 20.259977446679862 +""", +) + +entry( + index = 2694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(2.05849e+07,'m^3/(mol*s)'), n=-0.0147952, w0=(411,'kJ/mol'), E0=(96.3672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20600363764066806, var=15.788037938020445, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 8.483244326344106"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 8.483244326344106""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 8.483244326344106 +""", +) + +entry( + index = 2695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(2.40196e-06,'m^3/(mol*s)'), n=3.70267, w0=(411,'kJ/mol'), E0=(-1.53182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34859951027573427, var=4.930481396538957, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_8R!H->C + Total Standard Deviation in ln(k): 5.327329724865986"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_8R!H->C +Total Standard Deviation in ln(k): 5.327329724865986""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_8R!H->C +Total Standard Deviation in ln(k): 5.327329724865986 +""", +) + +entry( + index = 2696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.34962e-09,'m^3/(mol*s)'), n=4.46435, w0=(411,'kJ/mol'), E0=(75.1897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1506157913249865, var=13.746081489308226, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 7.811128939387038"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 7.811128939387038""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_4C-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 7.811128939387038 +""", +) + +entry( + index = 2697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.04229e+09,'m^3/(mol*s)'), n=-0.521884, w0=(411,'kJ/mol'), E0=(97.5127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32107655631888715, var=13.201734443841971, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 8.090767760686246"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 8.090767760686246""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 8.090767760686246 +""", +) + +entry( + index = 2698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(0.000988667,'m^3/(mol*s)'), n=2.93504, w0=(411,'kJ/mol'), E0=(25.5713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16231335945775494, var=0.20716797552721603, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_8R!H->C + Total Standard Deviation in ln(k): 1.3202918929355558"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.3202918929355558""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.3202918929355558 +""", +) + +entry( + index = 2699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.46702e-09,'m^3/(mol*s)'), n=4.41696, w0=(411,'kJ/mol'), E0=(72.0443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08175047108811324, var=0.7179741309020979, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 1.9040824670017924"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 1.9040824670017924""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Sp-8R!H=1C_N-Sp-7C=4C_N-4C-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 1.9040824670017924 +""", +) + +entry( + index = 2700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.37271,'m^3/(mol*s)'), n=1.31664, w0=(411,'kJ/mol'), E0=(47.7901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25490602431633264, var=5.201920546866982, Tref=1000.0, N=122, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 122 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.212810867496311"""), + rank = 11, + shortDesc = """BM rule fitted to 122 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.212810867496311""", + longDesc = +""" +BM rule fitted to 122 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.212810867496311 +""", +) + +entry( + index = 2701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing", + kinetics = ArrheniusBM(A=(0.000217816,'m^3/(mol*s)'), n=3.14104, w0=(411,'kJ/mol'), E0=(27.9939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06463420216845844, var=5.4590870441357495, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing + Total Standard Deviation in ln(k): 4.846398706925247"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 4.846398706925247""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 4.846398706925247 +""", +) + +entry( + index = 2702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.06e-08,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(41.5755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.00432757,'m^3/(mol*s)'), n=2.77828, w0=(411,'kJ/mol'), E0=(29.8915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12880433118041906, var=5.960633981969372, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 5.21807131325516"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 5.21807131325516""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 5.21807131325516 +""", +) + +entry( + index = 2704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(0.000163778,'m^3/(mol*s)'), n=3.19493, w0=(411,'kJ/mol'), E0=(-36.6564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04060168420664649, var=31.77697223566215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 11.4029198697256"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 11.4029198697256""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 11.4029198697256 +""", +) + +entry( + index = 2705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.114349,'m^3/(mol*s)'), n=2.36164, w0=(411,'kJ/mol'), E0=(24.8887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23310936226129006, var=7.632943766894721, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 6.124340423330007"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.124340423330007""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_1C-inRing_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.124340423330007 +""", +) + +entry( + index = 2706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(8.2924e-06,'m^3/(mol*s)'), n=3.0151, w0=(411,'kJ/mol'), E0=(32.146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09666640678752865, var=4.901145069466614, Tref=1000.0, N=117, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 117 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 4.681069167994169"""), + rank = 11, + shortDesc = """BM rule fitted to 117 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.681069167994169""", + longDesc = +""" +BM rule fitted to 117 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.681069167994169 +""", +) + +entry( + index = 2707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.58548e-14,'m^3/(mol*s)'), n=5.4811, w0=(411,'kJ/mol'), E0=(9.22629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1863168269868858, var=4.8886429387641455, Tref=1000.0, N=97, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.900657268424746"""), + rank = 11, + shortDesc = """BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.900657268424746""", + longDesc = +""" +BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.900657268424746 +""", +) + +entry( + index = 2708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S", + kinetics = ArrheniusBM(A=(3.66117e-15,'m^3/(mol*s)'), n=5.63265, w0=(411,'kJ/mol'), E0=(-1.35141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24639517285070353, var=1.5661933847085339, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S + Total Standard Deviation in ln(k): 3.1279621506375976"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S +Total Standard Deviation in ln(k): 3.1279621506375976""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S +Total Standard Deviation in ln(k): 3.1279621506375976 +""", +) + +entry( + index = 2709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing", + kinetics = ArrheniusBM(A=(7.31982e-13,'m^3/(mol*s)'), n=4.87986, w0=(411,'kJ/mol'), E0=(4.57782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25507910731628014, var=0.3068262962382976, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing + Total Standard Deviation in ln(k): 1.7513631972047716"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing +Total Standard Deviation in ln(k): 1.7513631972047716""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing +Total Standard Deviation in ln(k): 1.7513631972047716 +""", +) + +entry( + index = 2710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing", + kinetics = ArrheniusBM(A=(8.93278e-12,'m^3/(mol*s)'), n=4.57259, w0=(411,'kJ/mol'), E0=(7.4035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18878992122043767, var=0.01033363734138681, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing + Total Standard Deviation in ln(k): 0.6781368773700984"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing +Total Standard Deviation in ln(k): 0.6781368773700984""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing +Total Standard Deviation in ln(k): 0.6781368773700984 +""", +) + +entry( + index = 2711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.7e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(2.092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.16413562018145e-15, var=9.615783026336532e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 7.011557317478159e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.011557317478159e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.011557317478159e-14 +""", +) + +entry( + index = 2712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.05213e-12,'m^3/(mol*s)'), n=4.83203, w0=(411,'kJ/mol'), E0=(5.19091,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2555681381504108, var=0.5834517709629043, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing + Total Standard Deviation in ln(k): 2.1734281376325524"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing +Total Standard Deviation in ln(k): 2.1734281376325524""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing +Total Standard Deviation in ln(k): 2.1734281376325524 +""", +) + +entry( + index = 2713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.01012e-10,'m^3/(mol*s)'), n=4.28782, w0=(411,'kJ/mol'), E0=(13.7881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2887772810798009, var=0.2621753848685928, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 1.7520568594744985"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 1.7520568594744985""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 1.7520568594744985 +""", +) + +entry( + index = 2714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.01e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(9.04209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(7.06549e-13,'m^3/(mol*s)'), n=4.8697, w0=(411,'kJ/mol'), E0=(2.21185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1529666695624292, var=1.0778604716257931, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 2.4656555122024257"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.4656555122024257""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.4656555122024257 +""", +) + +entry( + index = 2716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.90406e-10,'m^3/(mol*s)'), n=4.07848, w0=(411,'kJ/mol'), E0=(1.0613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12927698440231528, var=2.917426566285854, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 3.7489994592495113"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 3.7489994592495113""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 3.7489994592495113 +""", +) + +entry( + index = 2717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(3.73122e-15,'m^3/(mol*s)'), n=5.65928, w0=(411,'kJ/mol'), E0=(-6.465e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20531894679425539, var=1.9752176232747132, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing + Total Standard Deviation in ln(k): 3.3333802578597673"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.3333802578597673""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.3333802578597673 +""", +) + +entry( + index = 2718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(4.08153e-15,'m^3/(mol*s)'), n=5.57901, w0=(411,'kJ/mol'), E0=(0.996889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3235809034565627, var=0.46084444219479453, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 2.173942265323358"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 2.173942265323358""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 2.173942265323358 +""", +) + +entry( + index = 2719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C", + kinetics = ArrheniusBM(A=(1.70891e-10,'m^3/(mol*s)'), n=4.29695, w0=(411,'kJ/mol'), E0=(16.8755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20731535972863382, var=0.1863984074650984, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C + Total Standard Deviation in ln(k): 1.386414817511092"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C +Total Standard Deviation in ln(k): 1.386414817511092""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C +Total Standard Deviation in ln(k): 1.386414817511092 +""", +) + +entry( + index = 2720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.18e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(13.2338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(1.66e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(21.357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Sp-10C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Sp-10C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(1.16e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(14.8562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_N-Sp-10C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_10R!H->C_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.07693e-14,'m^3/(mol*s)'), n=5.3133, w0=(411,'kJ/mol'), E0=(2.46121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1755283849224282, var=1.9570510345306003, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C + Total Standard Deviation in ln(k): 3.2455430154381366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C +Total Standard Deviation in ln(k): 3.2455430154381366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C +Total Standard Deviation in ln(k): 3.2455430154381366 +""", +) + +entry( + index = 2724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.16e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(29.6297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_Sp-7C=4C_N-10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.35287e-15,'m^3/(mol*s)'), n=5.73957, w0=(411,'kJ/mol'), E0=(7.07338e-07,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20619007242928566, var=2.4234819398661664, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 3.6389441660532498"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.6389441660532498""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.6389441660532498 +""", +) + +entry( + index = 2726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C", + kinetics = ArrheniusBM(A=(7.30024e-10,'m^3/(mol*s)'), n=4.23602, w0=(411,'kJ/mol'), E0=(15.0837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07134487448227851, var=0.9088816273214809, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C + Total Standard Deviation in ln(k): 2.09047834734026"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C +Total Standard Deviation in ln(k): 2.09047834734026""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C +Total Standard Deviation in ln(k): 2.09047834734026 +""", +) + +entry( + index = 2727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.17727e-09,'m^3/(mol*s)'), n=3.976, w0=(411,'kJ/mol'), E0=(10.9769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027144521066477703, var=0.7685117693022496, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 1.825649371420852"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.825649371420852""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.825649371420852 +""", +) + +entry( + index = 2728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing", + kinetics = ArrheniusBM(A=(1.226e-09,'m^3/(mol*s)'), n=4.12047, w0=(411,'kJ/mol'), E0=(6.33524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004183541842811598, var=0.8974007423619622, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing + Total Standard Deviation in ln(k): 1.9096217659909507"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 1.9096217659909507""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 1.9096217659909507 +""", +) + +entry( + index = 2729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(2.42586e-10,'m^3/(mol*s)'), n=4.38151, w0=(411,'kJ/mol'), E0=(8.12577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_Sp-10C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_Sp-10C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(5.13424e-10,'m^3/(mol*s)'), n=4.19906, w0=(411,'kJ/mol'), E0=(0.814794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014213149433309055, var=3.0301210721152465, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_N-Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 3.5254024855207917"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 3.5254024855207917""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 3.5254024855207917 +""", +) + +entry( + index = 2731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.36559e-14,'m^3/(mol*s)'), n=5.56704, w0=(411,'kJ/mol'), E0=(-1.02053e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051906000713090816, var=1.4727327909539683, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing + Total Standard Deviation in ln(k): 2.5632874493384317"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.5632874493384317""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.5632874493384317 +""", +) + +entry( + index = 2732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(1.67409e-10,'m^3/(mol*s)'), n=4.28672, w0=(411,'kJ/mol'), E0=(12.2812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_Sp-10C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_Sp-10C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(3.54e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(10.0416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.7755575615662913e-16, var=1.355614324791555e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 7.450905182728762e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 7.450905182728762e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 7.450905182728762e-14 +""", +) + +entry( + index = 2734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(1.15806e-11,'m^3/(mol*s)'), n=4.76482, w0=(411,'kJ/mol'), E0=(12.8391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23927287630644156, var=2.4734848792020165, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing + Total Standard Deviation in ln(k): 3.7540984606354932"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 3.7540984606354932""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 3.7540984606354932 +""", +) + +entry( + index = 2735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(7.9453e-11,'m^3/(mol*s)'), n=4.51704, w0=(411,'kJ/mol'), E0=(17.2739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08453558505296699, var=4.888109654441973, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_Sp-10C=8R!H + Total Standard Deviation in ln(k): 4.644683734167756"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 4.644683734167756""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 4.644683734167756 +""", +) + +entry( + index = 2736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(2.58706e-11,'m^3/(mol*s)'), n=4.67296, w0=(411,'kJ/mol'), E0=(11.3875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2775781067778803, var=8.887655021057448, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_N-Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 6.6739827962733305"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 6.6739827962733305""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 6.6739827962733305 +""", +) + +entry( + index = 2737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.9457e-10,'m^3/(mol*s)'), n=4.45181, w0=(411,'kJ/mol'), E0=(20.2551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13325840285934956, var=1.1503152579680909, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 2.484953626829025"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 2.484953626829025""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 2.484953626829025 +""", +) + +entry( + index = 2738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(1.00202e-10,'m^3/(mol*s)'), n=4.46964, w0=(411,'kJ/mol'), E0=(20.3635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03605695741691328, var=0.04621298077228433, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_Sp-10C=8R!H + Total Standard Deviation in ln(k): 0.5215573726528254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 0.5215573726528254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 0.5215573726528254 +""", +) + +entry( + index = 2739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(8.10179e-11,'m^3/(mol*s)'), n=4.62556, w0=(411,'kJ/mol'), E0=(18.486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24971427933925955, var=1.4726538268442315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_N-Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 3.0602279515584057"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 3.0602279515584057""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_10R!H->C_N-4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 3.0602279515584057 +""", +) + +entry( + index = 2740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C", + kinetics = ArrheniusBM(A=(7.87785e-11,'m^3/(mol*s)'), n=4.32008, w0=(411,'kJ/mol'), E0=(30.4477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10976652481724408, var=3.2342106249258014, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C + Total Standard Deviation in ln(k): 3.881093052093334"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C +Total Standard Deviation in ln(k): 3.881093052093334""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C +Total Standard Deviation in ln(k): 3.881093052093334 +""", +) + +entry( + index = 2741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(1.61688e-13,'m^3/(mol*s)'), n=5.08468, w0=(411,'kJ/mol'), E0=(16.8551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004440491525190852, var=3.5716079956389524, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing + Total Standard Deviation in ln(k): 3.7998453650867803"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 3.7998453650867803""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing +Total Standard Deviation in ln(k): 3.7998453650867803 +""", +) + +entry( + index = 2742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.35945e-11,'m^3/(mol*s)'), n=4.43966, w0=(411,'kJ/mol'), E0=(24.9647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00890249452693251, var=3.800960261610003, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.930809918618549"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.930809918618549""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.930809918618549 +""", +) + +entry( + index = 2743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(8.70049e-12,'m^3/(mol*s)'), n=4.59971, w0=(411,'kJ/mol'), E0=(31.3343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001346746751851814, var=7.468070317339204, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 5.4818777644853816"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 5.4818777644853816""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 5.4818777644853816 +""", +) + +entry( + index = 2744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.48269e-11,'m^3/(mol*s)'), n=4.39227, w0=(411,'kJ/mol'), E0=(31.7847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04363554922225737, var=15.43963441003095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 7.986902781108792"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.986902781108792""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_9R!H->S_N-8R!H-inRing_N-Sp-7C=4C_N-10R!H->C_N-4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.986902781108792 +""", +) + +entry( + index = 2745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(1.16638e-11,'m^3/(mol*s)'), n=4.67877, w0=(411,'kJ/mol'), E0=(20.4675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08444507852144056, var=6.708412411579952, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S + Total Standard Deviation in ln(k): 5.404558320976768"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S +Total Standard Deviation in ln(k): 5.404558320976768""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S +Total Standard Deviation in ln(k): 5.404558320976768 +""", +) + +entry( + index = 2746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C", + kinetics = ArrheniusBM(A=(3.2204e-09,'m^3/(mol*s)'), n=3.99665, w0=(411,'kJ/mol'), E0=(24.5691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05526570559238184, var=4.880074982275297, Tref=1000.0, N=50, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C',), comment="""BM rule fitted to 50 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C + Total Standard Deviation in ln(k): 4.567497114603752"""), + rank = 11, + shortDesc = """BM rule fitted to 50 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C +Total Standard Deviation in ln(k): 4.567497114603752""", + longDesc = +""" +BM rule fitted to 50 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C +Total Standard Deviation in ln(k): 4.567497114603752 +""", +) + +entry( + index = 2747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.37923e-11,'m^3/(mol*s)'), n=4.61883, w0=(411,'kJ/mol'), E0=(19.0834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32969488449326123, var=0.46274954730956513, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing + Total Standard Deviation in ln(k): 2.1921141192268268"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 2.1921141192268268""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 2.1921141192268268 +""", +) + +entry( + index = 2748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing", + kinetics = ArrheniusBM(A=(4.7441e-11,'m^3/(mol*s)'), n=4.54378, w0=(411,'kJ/mol'), E0=(20.1777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3231744043145033, var=0.7112702737371018, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing + Total Standard Deviation in ln(k): 2.50272622394881"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing +Total Standard Deviation in ln(k): 2.50272622394881""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing +Total Standard Deviation in ln(k): 2.50272622394881 +""", +) + +entry( + index = 2749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.12627e-12,'m^3/(mol*s)'), n=4.78581, w0=(411,'kJ/mol'), E0=(12.9275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4073871490190135, var=1.114989399255658, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.1404468835702595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.1404468835702595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.1404468835702595 +""", +) + +entry( + index = 2750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.97282e-11,'m^3/(mol*s)'), n=4.54782, w0=(411,'kJ/mol'), E0=(19.4805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3253323952500352, var=0.6277118081492026, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing + Total Standard Deviation in ln(k): 2.4057349116678024"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing +Total Standard Deviation in ln(k): 2.4057349116678024""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing +Total Standard Deviation in ln(k): 2.4057349116678024 +""", +) + +entry( + index = 2751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(5.69741e-14,'m^3/(mol*s)'), n=5.36373, w0=(411,'kJ/mol'), E0=(6.30735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44652270266546285, var=0.5736861834408687, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 2.640344272197343"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 2.640344272197343""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 2.640344272197343 +""", +) + +entry( + index = 2752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.6e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(16.5318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.26622e-10,'m^3/(mol*s)'), n=4.40297, w0=(411,'kJ/mol'), E0=(20.7507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2681541717601277, var=1.1365340202851637, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 2.810969180115549"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.810969180115549""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.810969180115549 +""", +) + +entry( + index = 2754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.92917e-12,'m^3/(mol*s)'), n=4.73841, w0=(411,'kJ/mol'), E0=(11.867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4246025392716881, var=8.461928726616001, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 6.898493505346443"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 6.898493505346443""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_8R!H-inRing_N-4C-inRing_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 6.898493505346443 +""", +) + +entry( + index = 2755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.82435e-09,'m^3/(mol*s)'), n=3.90033, w0=(411,'kJ/mol'), E0=(25.3442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003404598016936947, var=6.084730560388225, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing + Total Standard Deviation in ln(k): 4.953683723480909"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.953683723480909""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.953683723480909 +""", +) + +entry( + index = 2756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.07505e-11,'m^3/(mol*s)'), n=4.64377, w0=(411,'kJ/mol'), E0=(17.2827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10278160016297407, var=8.796909893650696, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R + Total Standard Deviation in ln(k): 6.20420629321826"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R +Total Standard Deviation in ln(k): 6.20420629321826""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R +Total Standard Deviation in ln(k): 6.20420629321826 +""", +) + +entry( + index = 2757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing", + kinetics = ArrheniusBM(A=(1.6714e-11,'m^3/(mol*s)'), n=4.52676, w0=(411,'kJ/mol'), E0=(0.684221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07418155115861048, var=6.593575602143852, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing + Total Standard Deviation in ln(k): 5.334136248238286"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing +Total Standard Deviation in ln(k): 5.334136248238286""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing +Total Standard Deviation in ln(k): 5.334136248238286 +""", +) + +entry( + index = 2758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.14785e-10,'m^3/(mol*s)'), n=4.01429, w0=(411,'kJ/mol'), E0=(0.554981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06070036109579446, var=19.2694533364428, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.95269612711113"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.95269612711113""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.95269612711113 +""", +) + +entry( + index = 2759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(5.48254e-11,'m^3/(mol*s)'), n=4.23172, w0=(411,'kJ/mol'), E0=(3.87426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10250102934145167, var=61.97143924652835, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_Sp-10C=8R!H + Total Standard Deviation in ln(k): 16.039203833724404"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_Sp-10C=8R!H +Total Standard Deviation in ln(k): 16.039203833724404""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_Sp-10C=8R!H +Total Standard Deviation in ln(k): 16.039203833724404 +""", +) + +entry( + index = 2760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(3.09917e-11,'m^3/(mol*s)'), n=4.37144, w0=(411,'kJ/mol'), E0=(-4.93997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016099414852313653, var=47.71299641126324, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_N-Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 13.888077098110521"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 13.888077098110521""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Ext-1C-R_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 13.888077098110521 +""", +) + +entry( + index = 2761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(2.05152e-10,'m^3/(mol*s)'), n=4.2528, w0=(411,'kJ/mol'), E0=(16.7798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04673679611997881, var=15.942941342419571, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Sp-10C=8R!H + Total Standard Deviation in ln(k): 8.122058238585499"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 8.122058238585499""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 8.122058238585499 +""", +) + +entry( + index = 2762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(1.08238e-11,'m^3/(mol*s)'), n=4.7685, w0=(411,'kJ/mol'), E0=(6.47531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38532110680052284, var=3.4815869283969585, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_N-Sp-10C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 4.708780877748704"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 4.708780877748704""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 4.708780877748704 +""", +) + +entry( + index = 2763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.60637e-10,'m^3/(mol*s)'), n=4.34868, w0=(411,'kJ/mol'), E0=(27.6854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04225149154585869, var=10.551966506499602, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing + Total Standard Deviation in ln(k): 6.618298969373786"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing +Total Standard Deviation in ln(k): 6.618298969373786""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing +Total Standard Deviation in ln(k): 6.618298969373786 +""", +) + +entry( + index = 2764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(1.31209e-13,'m^3/(mol*s)'), n=5.11559, w0=(411,'kJ/mol'), E0=(0.495186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04824257401350206, var=12.587661468589012, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H + Total Standard Deviation in ln(k): 7.23383102425566"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 7.23383102425566""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 7.23383102425566 +""", +) + +entry( + index = 2765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.83021e-12,'m^3/(mol*s)'), n=4.85098, w0=(411,'kJ/mol'), E0=(0.00248577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3048460061060021, var=1.0499970219053338, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C + Total Standard Deviation in ln(k): 2.8201839894390948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 2.8201839894390948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 2.8201839894390948 +""", +) + +entry( + index = 2766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.72e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(-2.092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.82185e-10,'m^3/(mol*s)'), n=4.10199, w0=(411,'kJ/mol'), E0=(17.3688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06876139941295262, var=22.07294114305932, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C + Total Standard Deviation in ln(k): 9.59138335919179"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 9.59138335919179""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 9.59138335919179 +""", +) + +entry( + index = 2768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.84906e-11,'m^3/(mol*s)'), n=4.34858, w0=(411,'kJ/mol'), E0=(9.42417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04742302884614442, var=91.14868302762027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 19.258723867567493"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 19.258723867567493""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 19.258723867567493 +""", +) + +entry( + index = 2769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(4.92214e-11,'m^3/(mol*s)'), n=4.61367, w0=(411,'kJ/mol'), E0=(39.4599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17887514318360037, var=15.034281969191165, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 8.222608060564935"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 8.222608060564935""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 8.222608060564935 +""", +) + +entry( + index = 2770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C", + kinetics = ArrheniusBM(A=(9.79112e-23,'m^3/(mol*s)'), n=7.88428, w0=(411,'kJ/mol'), E0=(-3.112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48378679347932335, var=164.01925206539113, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C + Total Standard Deviation in ln(k): 26.890187083340617"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 26.890187083340617""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 26.890187083340617 +""", +) + +entry( + index = 2771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.30051e-07,'m^3/(mol*s)'), n=3.28543, w0=(411,'kJ/mol'), E0=(-8.81069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.80183e-10,'m^3/(mol*s)'), n=4.49319, w0=(411,'kJ/mol'), E0=(43.7782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12654231367917776, var=5.719210822241099, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C + Total Standard Deviation in ln(k): 5.112243702593041"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 5.112243702593041""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 5.112243702593041 +""", +) + +entry( + index = 2773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.41022e-10,'m^3/(mol*s)'), n=4.32404, w0=(411,'kJ/mol'), E0=(43.712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01697841162945323, var=4.495231639234256, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 4.293090882991571"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 4.293090882991571""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Ext-9C-R_N-4C-inRing_N-Sp-10C=8R!H_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 4.293090882991571 +""", +) + +entry( + index = 2774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(2.12491e-09,'m^3/(mol*s)'), n=4.01887, w0=(411,'kJ/mol'), E0=(28.0938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03483712886878758, var=6.480901781855821, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H + Total Standard Deviation in ln(k): 5.191107918018334"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 5.191107918018334""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H +Total Standard Deviation in ln(k): 5.191107918018334 +""", +) + +entry( + index = 2775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.31888e-09,'m^3/(mol*s)'), n=3.77706, w0=(411,'kJ/mol'), E0=(24.4122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18873429663366906, var=14.99918325962665, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R + Total Standard Deviation in ln(k): 8.23830096016171"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 8.23830096016171""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 8.23830096016171 +""", +) + +entry( + index = 2776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C", + kinetics = ArrheniusBM(A=(4.18e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(21.1226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.34223e-10,'m^3/(mol*s)'), n=4.1409, w0=(411,'kJ/mol'), E0=(20.862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15317971789824697, var=19.82611881310697, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C + Total Standard Deviation in ln(k): 9.311263336440922"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 9.311263336440922""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 9.311263336440922 +""", +) + +entry( + index = 2778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.43534e-10,'m^3/(mol*s)'), n=4.14184, w0=(411,'kJ/mol'), E0=(20.682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12926424330541111, var=52.23244585152849, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 14.813409489897232"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 14.813409489897232""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 14.813409489897232 +""", +) + +entry( + index = 2779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.80955e-10,'m^3/(mol*s)'), n=4.09445, w0=(411,'kJ/mol'), E0=(21.4383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2085067845868863, var=80.93237022524937, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 18.558968307002022"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 18.558968307002022""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 18.558968307002022 +""", +) + +entry( + index = 2780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Sp-7C#4C", + kinetics = ArrheniusBM(A=(1.39335e-10,'m^3/(mol*s)'), n=4.48819, w0=(411,'kJ/mol'), E0=(30.0303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09748101212199412, var=13.337872165460576, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Sp-7C#4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Sp-7C#4C + Total Standard Deviation in ln(k): 7.566430504768999"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Sp-7C#4C +Total Standard Deviation in ln(k): 7.566430504768999""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_Sp-7C#4C +Total Standard Deviation in ln(k): 7.566430504768999 +""", +) + +entry( + index = 2781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C", + kinetics = ArrheniusBM(A=(7.19065e-10,'m^3/(mol*s)'), n=4.32276, w0=(411,'kJ/mol'), E0=(31.1124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16468563607795655, var=1.1311302292172176, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C + Total Standard Deviation in ln(k): 2.5459111051729915"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C +Total Standard Deviation in ln(k): 2.5459111051729915""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C +Total Standard Deviation in ln(k): 2.5459111051729915 +""", +) + +entry( + index = 2782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.10591e-10,'m^3/(mol*s)'), n=4.53559, w0=(411,'kJ/mol'), E0=(29.2629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15229840574458162, var=3.3176554915335164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_4C-inRing + Total Standard Deviation in ln(k): 4.034170473876679"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_4C-inRing +Total Standard Deviation in ln(k): 4.034170473876679""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_4C-inRing +Total Standard Deviation in ln(k): 4.034170473876679 +""", +) + +entry( + index = 2783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(8.65e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(30.9964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_Sp-10C=8R!H_N-Sp-7C#4C_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H", + kinetics = ArrheniusBM(A=(3.04761e-09,'m^3/(mol*s)'), n=4.1464, w0=(411,'kJ/mol'), E0=(22.0554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05622324915969176, var=0.6351764715246284, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H + Total Standard Deviation in ln(k): 1.738997391010951"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 1.738997391010951""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H +Total Standard Deviation in ln(k): 1.738997391010951 +""", +) + +entry( + index = 2785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.9835e-10,'m^3/(mol*s)'), n=4.23156, w0=(411,'kJ/mol'), E0=(17.9614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06365576072340733, var=1.1478662104680475, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R + Total Standard Deviation in ln(k): 2.307782555164051"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 2.307782555164051""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 2.307782555164051 +""", +) + +entry( + index = 2786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C", + kinetics = ArrheniusBM(A=(6.97e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(18.8974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.35269e-10,'m^3/(mol*s)'), n=4.39548, w0=(411,'kJ/mol'), E0=(16.0714,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17123116070349872, var=2.204656232846369, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C + Total Standard Deviation in ln(k): 3.406876697195208"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.406876697195208""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.406876697195208 +""", +) + +entry( + index = 2788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.21424e-10,'m^3/(mol*s)'), n=4.43052, w0=(411,'kJ/mol'), E0=(12.8315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08612929945094035, var=1.6909584379175586, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 2.823299776295701"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 2.823299776295701""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 2.823299776295701 +""", +) + +entry( + index = 2789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.79901e-10,'m^3/(mol*s)'), n=4.38312, w0=(411,'kJ/mol'), E0=(19.196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02699693644574002, var=9.416165648051464, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 6.219515723602826"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.219515723602826""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_Ext-1C-R_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.219515723602826 +""", +) + +entry( + index = 2790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_4C-inRing", + kinetics = ArrheniusBM(A=(4.12455e-10,'m^3/(mol*s)'), n=4.40357, w0=(411,'kJ/mol'), E0=(21.0588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09265696561929347, var=0.3908257148698649, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_4C-inRing + Total Standard Deviation in ln(k): 1.4860877324227213"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_4C-inRing +Total Standard Deviation in ln(k): 1.4860877324227213""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_4C-inRing +Total Standard Deviation in ln(k): 1.4860877324227213 +""", +) + +entry( + index = 2791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.95949e-09,'m^3/(mol*s)'), n=4.28532, w0=(411,'kJ/mol'), E0=(25.9153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04750543606741795, var=1.5869985917463492, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing + Total Standard Deviation in ln(k): 2.644848106143903"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing +Total Standard Deviation in ln(k): 2.644848106143903""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing +Total Standard Deviation in ln(k): 2.644848106143903 +""", +) + +entry( + index = 2792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(9.34e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(21.7702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.2893e-09,'m^3/(mol*s)'), n=4.35617, w0=(411,'kJ/mol'), E0=(26.9314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01914300266225861, var=5.743786621369971, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 4.852685841962139"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 4.852685841962139""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_10R!H->C_N-8R!H-inRing_N-Sp-10C=8R!H_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 4.852685841962139 +""", +) + +entry( + index = 2794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C", + kinetics = ArrheniusBM(A=(0.00167761,'m^3/(mol*s)'), n=2.25505, w0=(411,'kJ/mol'), E0=(54.4831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2756553902452678, var=12.246964056345846, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C + Total Standard Deviation in ln(k): 7.708304733925482"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C +Total Standard Deviation in ln(k): 7.708304733925482""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C +Total Standard Deviation in ln(k): 7.708304733925482 +""", +) + +entry( + index = 2795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.023046,'m^3/(mol*s)'), n=1.859, w0=(411,'kJ/mol'), E0=(73.5026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33092861633463305, var=20.428269138350824, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C + Total Standard Deviation in ln(k): 9.892408927317389"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 9.892408927317389""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 9.892408927317389 +""", +) + +entry( + index = 2796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.3e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(30.5948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.0024281,'m^3/(mol*s)'), n=2.22654, w0=(411,'kJ/mol'), E0=(50.8528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28997757762826953, var=13.542098984710861, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 8.1059299715258"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 8.1059299715258""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 8.1059299715258 +""", +) + +entry( + index = 2798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.31434e-10,'m^3/(mol*s)'), n=4.34047, w0=(411,'kJ/mol'), E0=(6.63009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37178015687967897, var=29.142030338723647, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 11.75635430752523"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.75635430752523""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 11.75635430752523 +""", +) + +entry( + index = 2799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_4C-inRing", + kinetics = ArrheniusBM(A=(9.23632e-05,'m^3/(mol*s)'), n=2.6548, w0=(411,'kJ/mol'), E0=(2.02804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6394256165539114, var=129.9196588485209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_4C-inRing + Total Standard Deviation in ln(k): 24.457029558002574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 24.457029558002574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 24.457029558002574 +""", +) + +entry( + index = 2800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(2.57991e-09,'m^3/(mol*s)'), n=3.98052, w0=(411,'kJ/mol'), E0=(42.3472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42366399882027567, var=18.089760369393098, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_N-4C-inRing + Total Standard Deviation in ln(k): 9.591033454442128"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 9.591033454442128""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 9.591033454442128 +""", +) + +entry( + index = 2801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.88247e-11,'m^3/(mol*s)'), n=4.50783, w0=(411,'kJ/mol'), E0=(38.6687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10597455689344634, var=42.70493774643143, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 13.367014015459114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 13.367014015459114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 13.367014015459114 +""", +) + +entry( + index = 2802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.26351e-11,'m^3/(mol*s)'), n=4.46044, w0=(411,'kJ/mol'), E0=(41.3507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06524327707093748, var=5.305490520315227, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 4.781564529147262"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 4.781564529147262""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-8R!H-R_N-9R!H->S_N-10R!H->C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 4.781564529147262 +""", +) + +entry( + index = 2803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00183875,'m^3/(mol*s)'), n=2.48784, w0=(411,'kJ/mol'), E0=(27.2249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.48628388319967014, var=1.9398458362349815, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.013980709709212"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.013980709709212""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.013980709709212 +""", +) + +entry( + index = 2804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.076254,'m^3/(mol*s)'), n=2.02929, w0=(411,'kJ/mol'), E0=(43.2717,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.300743469522722, var=14.76973308550333, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C + Total Standard Deviation in ln(k): 8.460116516749112"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 8.460116516749112""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 8.460116516749112 +""", +) + +entry( + index = 2805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_8R!H->S", + kinetics = ArrheniusBM(A=(1.582e-09,'m^3/(mol*s)'), n=4.03828, w0=(411,'kJ/mol'), E0=(7.80205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_8R!H->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_8R!H->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_8R!H->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_8R!H->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_N-8R!H->S", + kinetics = ArrheniusBM(A=(6.10662e-09,'m^3/(mol*s)'), n=4.25483, w0=(411,'kJ/mol'), E0=(13.7549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_N-8R!H->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_N-8R!H->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_N-8R!H->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_Sp-7C=4C_N-8R!H->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.0299064,'m^3/(mol*s)'), n=2.13956, w0=(411,'kJ/mol'), E0=(28.2331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4851760629682185, var=1.4335406661687786, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C + Total Standard Deviation in ln(k): 3.6193158406230754"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.6193158406230754""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.6193158406230754 +""", +) + +entry( + index = 2808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S", + kinetics = ArrheniusBM(A=(0.000274395,'m^3/(mol*s)'), n=2.62929, w0=(411,'kJ/mol'), E0=(18.6762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37181768842229074, var=3.35041002778266, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S + Total Standard Deviation in ln(k): 4.603707501332335"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S +Total Standard Deviation in ln(k): 4.603707501332335""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S +Total Standard Deviation in ln(k): 4.603707501332335 +""", +) + +entry( + index = 2809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_4C-inRing", + kinetics = ArrheniusBM(A=(3.40477e-07,'m^3/(mol*s)'), n=3.47123, w0=(411,'kJ/mol'), E0=(5.65216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27716531431332475, var=17.38649880035702, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_4C-inRing + Total Standard Deviation in ln(k): 9.055563324354345"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 9.055563324354345""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 9.055563324354345 +""", +) + +entry( + index = 2810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.000289053,'m^3/(mol*s)'), n=2.61356, w0=(411,'kJ/mol'), E0=(-2.61633,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4719830648074595, var=1.867435106920188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_N-4C-inRing + Total Standard Deviation in ln(k): 3.925440363351521"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 3.925440363351521""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 3.925440363351521 +""", +) + +entry( + index = 2811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S", + kinetics = ArrheniusBM(A=(0.000108038,'m^3/(mol*s)'), n=2.93329, w0=(411,'kJ/mol'), E0=(22.8857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.540394973583787, var=1.0700477743279446, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S + Total Standard Deviation in ln(k): 3.4315366982514544"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S +Total Standard Deviation in ln(k): 3.4315366982514544""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S +Total Standard Deviation in ln(k): 3.4315366982514544 +""", +) + +entry( + index = 2812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_4C-inRing", + kinetics = ArrheniusBM(A=(4.03871e-07,'m^3/(mol*s)'), n=3.63789, w0=(411,'kJ/mol'), E0=(4.04294,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.515859457077187, var=0.013066387661926573, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_4C-inRing + Total Standard Deviation in ln(k): 1.5252871496540665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 1.5252871496540665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 1.5252871496540665 +""", +) + +entry( + index = 2813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_N-4C-inRing", + kinetics = ArrheniusBM(A=(7.32861e-05,'m^3/(mol*s)'), n=2.97245, w0=(411,'kJ/mol'), E0=(12.1824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6924622842831498, var=6.1443829376459735, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_N-4C-inRing + Total Standard Deviation in ln(k): 6.709165403443643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 6.709165403443643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-Sp-7C=4C_N-8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 6.709165403443643 +""", +) + +entry( + index = 2814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S", + kinetics = ArrheniusBM(A=(2.37862e-08,'m^3/(mol*s)'), n=3.81419, w0=(411,'kJ/mol'), E0=(20.8284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13514051017304773, var=0.26861952369073155, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S + Total Standard Deviation in ln(k): 1.3785734930127107"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S +Total Standard Deviation in ln(k): 1.3785734930127107""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S +Total Standard Deviation in ln(k): 1.3785734930127107 +""", +) + +entry( + index = 2815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_4C-inRing", + kinetics = ArrheniusBM(A=(1.10141e-10,'m^3/(mol*s)'), n=4.48746, w0=(411,'kJ/mol'), E0=(13.5883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23627317574007242, var=0.09652002712351936, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_4C-inRing + Total Standard Deviation in ln(k): 1.2164757225891893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 1.2164757225891893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 1.2164757225891893 +""", +) + +entry( + index = 2816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.08784e-08,'m^3/(mol*s)'), n=3.90857, w0=(411,'kJ/mol'), E0=(18.0943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17912190926408503, var=0.6909192943882376, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing + Total Standard Deviation in ln(k): 2.1164220229770008"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 2.1164220229770008""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 2.1164220229770008 +""", +) + +entry( + index = 2817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.98383e-09,'m^3/(mol*s)'), n=4.09181, w0=(411,'kJ/mol'), E0=(10.4837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.1517e-09,'m^3/(mol*s)'), n=4.09908, w0=(411,'kJ/mol'), E0=(3.89791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11798681118681982, var=1.9956259873032274, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 3.1284708962649805"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.1284708962649805""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_8R!H->S_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.1284708962649805 +""", +) + +entry( + index = 2819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.84058e-06,'m^3/(mol*s)'), n=3.4623, w0=(411,'kJ/mol'), E0=(33.0422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13807043347763895, var=1.400152216599888, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S + Total Standard Deviation in ln(k): 2.7190741168246273"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S +Total Standard Deviation in ln(k): 2.7190741168246273""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S +Total Standard Deviation in ln(k): 2.7190741168246273 +""", +) + +entry( + index = 2820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_4C-inRing", + kinetics = ArrheniusBM(A=(2.47579e-09,'m^3/(mol*s)'), n=4.27049, w0=(411,'kJ/mol'), E0=(24.2674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05501144007775749, var=1.8533745677271871, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_4C-inRing + Total Standard Deviation in ln(k): 2.867439974410551"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 2.867439974410551""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_4C-inRing +Total Standard Deviation in ln(k): 2.867439974410551 +""", +) + +entry( + index = 2821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing", + kinetics = ArrheniusBM(A=(7.72928e-07,'m^3/(mol*s)'), n=3.5799, w0=(411,'kJ/mol'), E0=(31.0102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11641421292675366, var=3.391698888265369, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing + Total Standard Deviation in ln(k): 3.9845315305561826"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 3.9845315305561826""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing +Total Standard Deviation in ln(k): 3.9845315305561826 +""", +) + +entry( + index = 2822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(3.4e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(21.3133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(3.63512e-09,'m^3/(mol*s)'), n=4.20435, w0=(411,'kJ/mol'), E0=(15.5519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18494981766048105, var=9.505328308693416, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 6.645439107538313"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 6.645439107538313""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-8R!H->S_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 6.645439107538313 +""", +) + +entry( + index = 2824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.21538e-13,'m^3/(mol*s)'), n=5.38235, w0=(411,'kJ/mol'), E0=(30.4595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5108697587595098, var=4.957271468425017, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.747121150661881"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.747121150661881""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.747121150661881 +""", +) + +entry( + index = 2825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.91334e-08,'m^3/(mol*s)'), n=3.90291, w0=(411,'kJ/mol'), E0=(40.3639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29196365792680984, var=1.6024739678787812, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C + Total Standard Deviation in ln(k): 3.2713483265096546"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C +Total Standard Deviation in ln(k): 3.2713483265096546""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C +Total Standard Deviation in ln(k): 3.2713483265096546 +""", +) + +entry( + index = 2826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H", + kinetics = ArrheniusBM(A=(3.1957e-10,'m^3/(mol*s)'), n=4.56782, w0=(411,'kJ/mol'), E0=(29.5958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32814459655273454, var=0.19330422822911775, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H + Total Standard Deviation in ln(k): 1.7058932873942194"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H +Total Standard Deviation in ln(k): 1.7058932873942194""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H +Total Standard Deviation in ln(k): 1.7058932873942194 +""", +) + +entry( + index = 2827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.09e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(27.307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(5.91069e-10,'m^3/(mol*s)'), n=4.51009, w0=(411,'kJ/mol'), E0=(31.2076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30161512314255173, var=0.3106038266676504, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C + Total Standard Deviation in ln(k): 1.8751027381267387"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 1.8751027381267387""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 1.8751027381267387 +""", +) + +entry( + index = 2829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.56234e-10,'m^3/(mol*s)'), n=4.62834, w0=(411,'kJ/mol'), E0=(27.3701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3427742288728737, var=0.4114630657193747, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 2.1471868522775313"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 2.1471868522775313""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 2.1471868522775313 +""", +) + +entry( + index = 2830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(4.89257e-10,'m^3/(mol*s)'), n=4.58094, w0=(411,'kJ/mol'), E0=(33.3466,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2663337519639555, var=1.4496355273021886, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 3.082897571532161"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 3.082897571532161""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 3.082897571532161 +""", +) + +entry( + index = 2831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H", + kinetics = ArrheniusBM(A=(3.26765e-11,'m^3/(mol*s)'), n=4.69646, w0=(411,'kJ/mol'), E0=(35.4099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39848314915009103, var=0.9087203957659985, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H + Total Standard Deviation in ln(k): 2.91226428286183"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H +Total Standard Deviation in ln(k): 2.91226428286183""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H +Total Standard Deviation in ln(k): 2.91226428286183 +""", +) + +entry( + index = 2832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C", + kinetics = ArrheniusBM(A=(7.09236e-11,'m^3/(mol*s)'), n=4.5288, w0=(411,'kJ/mol'), E0=(36.4629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4760363083112179, var=0.143940567556546, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C + Total Standard Deviation in ln(k): 1.9566575951444112"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 1.9566575951444112""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 1.9566575951444112 +""", +) + +entry( + index = 2833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.98e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(39.0894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(3.51e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(37.3353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_Sp-7C=4C_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.72606e-10,'m^3/(mol*s)'), n=4.50717, w0=(411,'kJ/mol'), E0=(37.2173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35048697869182444, var=1.1483246985392723, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C + Total Standard Deviation in ln(k): 3.0288929172137653"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.0288929172137653""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.0288929172137653 +""", +) + +entry( + index = 2836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.28196e-10,'m^3/(mol*s)'), n=4.55343, w0=(411,'kJ/mol'), E0=(36.964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3821162348089416, var=2.2738743507385784, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 3.983105476459167"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 3.983105476459167""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 3.983105476459167 +""", +) + +entry( + index = 2837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.00414e-11,'m^3/(mol*s)'), n=4.83015, w0=(411,'kJ/mol'), E0=(34.4218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48815569118391344, var=11.72108724031928, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_8R!H-inRing + Total Standard Deviation in ln(k): 8.08994756925526"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_8R!H-inRing +Total Standard Deviation in ln(k): 8.08994756925526""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_8R!H-inRing +Total Standard Deviation in ln(k): 8.08994756925526 +""", +) + +entry( + index = 2838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(2.64961e-11,'m^3/(mol*s)'), n=4.7038, w0=(411,'kJ/mol'), E0=(35.7293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31530146906824125, var=0.018522973545424638, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.0650574489580216"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.0650574489580216""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_4C-inRing_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.0650574489580216 +""", +) + +entry( + index = 2839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.87327e-10,'m^3/(mol*s)'), n=4.39736, w0=(411,'kJ/mol'), E0=(38.0484,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31821945607931046, var=1.3704857905488381, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 3.1464446048208767"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 3.1464446048208767""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 3.1464446048208767 +""", +) + +entry( + index = 2840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.52816e-11,'m^3/(mol*s)'), n=4.78275, w0=(411,'kJ/mol'), E0=(34.1486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4411512776224751, var=2.7396108532710097, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_8R!H-inRing + Total Standard Deviation in ln(k): 4.426611657626151"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_8R!H-inRing +Total Standard Deviation in ln(k): 4.426611657626151""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_8R!H-inRing +Total Standard Deviation in ln(k): 4.426611657626151 +""", +) + +entry( + index = 2841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(3.34308e-11,'m^3/(mol*s)'), n=4.6564, w0=(411,'kJ/mol'), E0=(36.0979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26221376809482216, var=2.913961132703518, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_N-8R!H-inRing + Total Standard Deviation in ln(k): 4.080977184979984"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.080977184979984""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C#8R!H_N-Sp-7C=4C_N-4C-inRing_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.080977184979984 +""", +) + +entry( + index = 2842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.50066e-12,'m^3/(mol*s)'), n=4.77848, w0=(411,'kJ/mol'), E0=(47.0913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2459681471588815, var=0.6977412322592109, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C + Total Standard Deviation in ln(k): 2.2925838008936377"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 2.2925838008936377""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 2.2925838008936377 +""", +) + +entry( + index = 2843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(8.42e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(53.0462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.02849e-11,'m^3/(mol*s)'), n=4.65506, w0=(411,'kJ/mol'), E0=(47.7293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2129334503554261, var=0.8808999179519196, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 2.4165782107557616"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.4165782107557616""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.4165782107557616 +""", +) + +entry( + index = 2845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.47138e-11,'m^3/(mol*s)'), n=4.60004, w0=(411,'kJ/mol'), E0=(46.4547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23699100976594686, var=4.937324272445534, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 5.049994307662801"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 5.049994307662801""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 5.049994307662801 +""", +) + +entry( + index = 2846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(2.54789e-11,'m^3/(mol*s)'), n=4.55265, w0=(411,'kJ/mol'), E0=(50.4529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17002725980482983, var=0.8027486882103541, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 2.223371495504524"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 2.223371495504524""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 2.223371495504524 +""", +) + +entry( + index = 2847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing", + kinetics = ArrheniusBM(A=(1.69742e-05,'m^3/(mol*s)'), n=3.16674, w0=(411,'kJ/mol'), E0=(45.1776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21438714684442658, var=1.000501943492857, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing + Total Standard Deviation in ln(k): 2.5438993191134793"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 2.5438993191134793""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 2.5438993191134793 +""", +) + +entry( + index = 2848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(8.98152e-10,'m^3/(mol*s)'), n=4.51145, w0=(411,'kJ/mol'), E0=(34.5896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24361935071555874, var=0.06569777925399917, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_8R!H->C + Total Standard Deviation in ln(k): 1.1259541571436673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.1259541571436673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.1259541571436673 +""", +) + +entry( + index = 2849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.97832e-11,'m^3/(mol*s)'), n=4.74731, w0=(411,'kJ/mol'), E0=(26.2528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5134021890034693, var=2.4522554565274843, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 4.429306023281102"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 4.429306023281102""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_4C-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 4.429306023281102 +""", +) + +entry( + index = 2850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.00043826,'m^3/(mol*s)'), n=2.73996, w0=(411,'kJ/mol'), E0=(48.4162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14857260504708839, var=0.8580414677494467, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing + Total Standard Deviation in ln(k): 2.230294685486856"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.230294685486856""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.230294685486856 +""", +) + +entry( + index = 2851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.00853167,'m^3/(mol*s)'), n=2.36299, w0=(411,'kJ/mol'), E0=(52.9908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5581123574402176, var=7.425115810151099, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C + Total Standard Deviation in ln(k): 6.865008137010178"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 6.865008137010178""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C +Total Standard Deviation in ln(k): 6.865008137010178 +""", +) + +entry( + index = 2852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_8R!H->C", + kinetics = ArrheniusBM(A=(4.3e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(36.5243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.68e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(26.9905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_Sp-7C=4C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.000135487,'m^3/(mol*s)'), n=2.88982, w0=(411,'kJ/mol'), E0=(46.5276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12532342158615428, var=1.1321302255496233, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C + Total Standard Deviation in ln(k): 2.4479533339393584"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.4479533339393584""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.4479533339393584 +""", +) + +entry( + index = 2855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_8R!H->C", + kinetics = ArrheniusBM(A=(1.13455e-09,'m^3/(mol*s)'), n=4.46405, w0=(411,'kJ/mol'), E0=(32.1157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16500898897462668, var=2.506884244342209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_8R!H->C + Total Standard Deviation in ln(k): 3.5887212108632394"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_8R!H->C +Total Standard Deviation in ln(k): 3.5887212108632394""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_8R!H->C +Total Standard Deviation in ln(k): 3.5887212108632394 +""", +) + +entry( + index = 2856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.49379e-11,'m^3/(mol*s)'), n=4.69991, w0=(411,'kJ/mol'), E0=(23.9005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4685186904934845, var=0.05791421007237917, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_N-8R!H->C + Total Standard Deviation in ln(k): 1.659629581435098"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_N-8R!H->C +Total Standard Deviation in ln(k): 1.659629581435098""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Ext-1C-R_N-4C-inRing_N-Sp-7C=4C_N-8R!H->C +Total Standard Deviation in ln(k): 1.659629581435098 +""", +) + +entry( + index = 2857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(5.25e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(43.2264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Sp-7C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Sp-7C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.80209e-09,'m^3/(mol*s)'), n=4.5257, w0=(411,'kJ/mol'), E0=(42.3406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4358605093593478, var=0.30217587433974397, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 2.1971403275651062"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.1971403275651062""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 2.1971403275651062 +""", +) + +entry( + index = 2859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_4C-inRing", + kinetics = ArrheniusBM(A=(5.04108e-10,'m^3/(mol*s)'), n=4.69347, w0=(411,'kJ/mol'), E0=(41.9038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48133972730048213, var=2.227551941069931, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_4C-inRing + Total Standard Deviation in ln(k): 4.201460508868763"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 4.201460508868763""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_4C-inRing +Total Standard Deviation in ln(k): 4.201460508868763 +""", +) + +entry( + index = 2860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(6.3582e-10,'m^3/(mol*s)'), n=4.64607, w0=(411,'kJ/mol'), E0=(39.075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4143026983081558, var=0.0857156570936567, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_N-4C-inRing + Total Standard Deviation in ln(k): 1.6278925812429357"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 1.6278925812429357""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_7R!H->C_N-Sp-7C=4C_N-4C-inRing +Total Standard Deviation in ln(k): 1.6278925812429357 +""", +) + +entry( + index = 2861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1960.21,'m^3/(mol*s)'), n=0.99404, w0=(411,'kJ/mol'), E0=(87.7214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14968753012913666, var=10.080007721962215, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.740938311103066"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.740938311103066""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.740938311103066 +""", +) + +entry( + index = 2862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_1C-inRing", + kinetics = ArrheniusBM(A=(1.62497e-05,'m^3/(mol*s)'), n=3.74983, w0=(411,'kJ/mol'), E0=(38.703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017081803429076392, var=26.84477756004964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_1C-inRing + Total Standard Deviation in ln(k): 10.42984167641107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_1C-inRing +Total Standard Deviation in ln(k): 10.42984167641107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_1C-inRing +Total Standard Deviation in ln(k): 10.42984167641107 +""", +) + +entry( + index = 2863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing", + kinetics = ArrheniusBM(A=(44.7199,'m^3/(mol*s)'), n=1.45408, w0=(411,'kJ/mol'), E0=(83.4384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10285962226922091, var=10.00339373280176, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing + Total Standard Deviation in ln(k): 6.59904585389629"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 6.59904585389629""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 6.59904585389629 +""", +) + +entry( + index = 2864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(16.3353,'m^3/(mol*s)'), n=1.57048, w0=(411,'kJ/mol'), E0=(82.1253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09808965593394335, var=10.14756614329927, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.632589065066953"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.632589065066953""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.632589065066953 +""", +) + +entry( + index = 2865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(224048,'m^3/(mol*s)'), n=0.683965, w0=(411,'kJ/mol'), E0=(116.972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.140730984668528, var=18.54400857171399, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C + Total Standard Deviation in ln(k): 8.986536960990664"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 8.986536960990664""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 8.986536960990664 +""", +) + +entry( + index = 2866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.04731e-08,'m^3/(mol*s)'), n=4.48813, w0=(411,'kJ/mol'), E0=(45.6575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3888638380296694, var=19.312606754771654, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 9.787075850721243"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 9.787075850721243""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 9.787075850721243 +""", +) + +entry( + index = 2867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(571510,'m^3/(mol*s)'), n=0.540094, w0=(411,'kJ/mol'), E0=(122.12,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17717900059918892, var=20.777487097853804, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 9.58322273789525"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.58322273789525""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.58322273789525 +""", +) + +entry( + index = 2868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(8.64773e-10,'m^3/(mol*s)'), n=4.79758, w0=(411,'kJ/mol'), E0=(56.7571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3734387087542245, var=8.612532902997842, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 6.821607748097976"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 6.821607748097976""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 6.821607748097976 +""", +) + +entry( + index = 2869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(8.79487e-10,'m^3/(mol*s)'), n=4.86816, w0=(411,'kJ/mol'), E0=(66.6662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36977426385346573, var=6.236663336205617, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 5.935568607248072"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 5.935568607248072""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 5.935568607248072 +""", +) + +entry( + index = 2870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.70245e-18,'m^3/(mol*s)'), n=7.38967, w0=(411,'kJ/mol'), E0=(32.4088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3868500888694186, var=7.4517118926444885, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 6.444475657289865"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 6.444475657289865""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 6.444475657289865 +""", +) + +entry( + index = 2871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(4.09528e-08,'m^3/(mol*s)'), n=4.37721, w0=(411,'kJ/mol'), E0=(70.7742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2438593194757923, var=2.024430461905651, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 3.4650986790395018"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 3.4650986790395018""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 3.4650986790395018 +""", +) + +entry( + index = 2872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(1.53093e-07,'m^3/(mol*s)'), n=4.23529, w0=(411,'kJ/mol'), E0=(68.4347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07266259030245757, var=9.51485370753163, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + Total Standard Deviation in ln(k): 6.366406515976601"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 6.366406515976601""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 6.366406515976601 +""", +) + +entry( + index = 2873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(1.14914e-08,'m^3/(mol*s)'), n=4.51319, w0=(411,'kJ/mol'), E0=(73.1402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4161072680305401, var=1.1664741412487862, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 3.210678342644464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 3.210678342644464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 3.210678342644464 +""", +) + +entry( + index = 2874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.676e-07,'m^3/(mol*s)'), n=4.25793, w0=(411,'kJ/mol'), E0=(97.0117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09892675551428033, var=57.973430901372595, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 15.512669820270231"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 15.512669820270231""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 15.512669820270231 +""", +) + +entry( + index = 2875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(0.01059,'m^3/(mol*s)'), n=2.47605, w0=(411,'kJ/mol'), E0=(26.2699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45281191232917556, var=108.01172396953025, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 21.972667210980124"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 21.972667210980124""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 21.972667210980124 +""", +) + +entry( + index = 2876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.53591e-17,'m^3/(mol*s)'), n=6.93036, w0=(411,'kJ/mol'), E0=(85.9041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9315374746524338, var=34.24457933844321, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 14.072029193039036"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 14.072029193039036""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 14.072029193039036 +""", +) + +entry( + index = 2877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(7.38799e-44,'m^3/(mol*s)'), n=14.6057, w0=(411,'kJ/mol'), E0=(-10.1372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7854533812272, var=53.640144311811056, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 16.656066838848897"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 16.656066838848897""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 16.656066838848897 +""", +) + +entry( + index = 2878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.2759e-08,'m^3/(mol*s)'), n=4.23571, w0=(411,'kJ/mol'), E0=(88.3179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03664500414706308, var=32.208729271326334, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.469492728967323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.469492728967323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.469492728967323 +""", +) + +entry( + index = 2879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(5.60653e-08,'m^3/(mol*s)'), n=4.36691, w0=(411,'kJ/mol'), E0=(146.13,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.170427149583033, var=147.84748293218135, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 24.80429399609646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 24.80429399609646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 24.80429399609646 +""", +) + +entry( + index = 2880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(7.73545e-08,'m^3/(mol*s)'), n=4.23071, w0=(411,'kJ/mol'), E0=(99.4553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03520556585578287, var=70.53076367205243, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 16.924741728778145"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 16.924741728778145""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 16.924741728778145 +""", +) + +entry( + index = 2881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(6.06402e-09,'m^3/(mol*s)'), n=4.36697, w0=(411,'kJ/mol'), E0=(105.224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18453063263807495, var=198.85560611037715, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 28.733651344629397"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 28.733651344629397""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_Ext-1C-R_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 28.733651344629397 +""", +) + +entry( + index = 2882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_8R!H->C", + kinetics = ArrheniusBM(A=(2.37762e-07,'m^3/(mol*s)'), n=4.25757, w0=(411,'kJ/mol'), E0=(28.6993,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38212819400995757, var=3.179217431502693, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_8R!H->C + Total Standard Deviation in ln(k): 4.534635934407129"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 4.534635934407129""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 4.534635934407129 +""", +) + +entry( + index = 2883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.26508e-08,'m^3/(mol*s)'), n=4.36469, w0=(411,'kJ/mol'), E0=(103.802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18562528404686907, var=10.550142958498315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C + Total Standard Deviation in ln(k): 6.9779719038643275"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 6.9779719038643275""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 6.9779719038643275 +""", +) + +entry( + index = 2884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(2.89261,'m^3/(mol*s)'), n=1.66433, w0=(411,'kJ/mol'), E0=(71.0192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11125853320799321, var=7.1691699837172775, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C + Total Standard Deviation in ln(k): 5.647283519153412"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 5.647283519153412""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 5.647283519153412 +""", +) + +entry( + index = 2885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S", + kinetics = ArrheniusBM(A=(0.0181975,'m^3/(mol*s)'), n=2.21333, w0=(411,'kJ/mol'), E0=(54.7054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05834307248871302, var=2.1954526024851426, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S + Total Standard Deviation in ln(k): 3.11701858101065"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S +Total Standard Deviation in ln(k): 3.11701858101065""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S +Total Standard Deviation in ln(k): 3.11701858101065 +""", +) + +entry( + index = 2886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0851611,'m^3/(mol*s)'), n=2.00464, w0=(411,'kJ/mol'), E0=(55.4118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11503392092711201, var=2.459302439590303, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 3.4328882262098013"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.4328882262098013""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.4328882262098013 +""", +) + +entry( + index = 2887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(7.40343e-06,'m^3/(mol*s)'), n=3.14049, w0=(411,'kJ/mol'), E0=(45.3297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0020877195473779533, var=2.142491329886319, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.9396266887405003"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.9396266887405003""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.9396266887405003 +""", +) + +entry( + index = 2888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000177317,'m^3/(mol*s)'), n=2.75472, w0=(411,'kJ/mol'), E0=(51.1011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14545959594641836, var=2.526505639442079, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.551999869739843"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.551999869739843""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.551999869739843 +""", +) + +entry( + index = 2889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000159555,'m^3/(mol*s)'), n=2.7054, w0=(411,'kJ/mol'), E0=(51.4166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09412136508933346, var=7.211442542616649, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + Total Standard Deviation in ln(k): 5.620027316851438"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.620027316851438""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.620027316851438 +""", +) + +entry( + index = 2890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(3.65649e-09,'m^3/(mol*s)'), n=4.18219, w0=(411,'kJ/mol'), E0=(30.8457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.74e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(40.5848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.551115123121717e-16, var=1.6282335602794547e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 8.228857180905474e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 8.228857180905474e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 8.228857180905474e-14 +""", +) + +entry( + index = 2892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C", + kinetics = ArrheniusBM(A=(6.41666e-10,'m^3/(mol*s)'), n=4.41738, w0=(411,'kJ/mol'), E0=(33.5617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1583534549023511, var=0.0597984977665841, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C + Total Standard Deviation in ln(k): 0.8881055326707459"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C +Total Standard Deviation in ln(k): 0.8881055326707459""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C +Total Standard Deviation in ln(k): 0.8881055326707459 +""", +) + +entry( + index = 2893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.74093e-09,'m^3/(mol*s)'), n=4.12317, w0=(411,'kJ/mol'), E0=(40.9807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15065808742407844, var=6.621222993218071, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C + Total Standard Deviation in ln(k): 5.537069524782067"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C +Total Standard Deviation in ln(k): 5.537069524782067""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C +Total Standard Deviation in ln(k): 5.537069524782067 +""", +) + +entry( + index = 2894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.8278e-12,'m^3/(mol*s)'), n=4.9334, w0=(411,'kJ/mol'), E0=(24.2392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3235134564340394, var=2.749152074359941, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 4.136812339898032"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.136812339898032""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.136812339898032 +""", +) + +entry( + index = 2895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.23173e-08,'m^3/(mol*s)'), n=4.02903, w0=(411,'kJ/mol'), E0=(37.0712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23008653162881496, var=3.4135571510023346, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing + Total Standard Deviation in ln(k): 4.2820181701602165"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing +Total Standard Deviation in ln(k): 4.2820181701602165""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing +Total Standard Deviation in ln(k): 4.2820181701602165 +""", +) + +entry( + index = 2896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.75279e-10,'m^3/(mol*s)'), n=4.28773, w0=(411,'kJ/mol'), E0=(34.1021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10460405254561463, var=15.448868662081493, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.14244527027944"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.14244527027944""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.14244527027944 +""", +) + +entry( + index = 2897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.99178e-10,'m^3/(mol*s)'), n=4.24034, w0=(411,'kJ/mol'), E0=(27.5088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02617057455155535, var=3.783709086979716, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R + Total Standard Deviation in ln(k): 3.9653174704075007"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 3.9653174704075007""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 3.9653174704075007 +""", +) + +entry( + index = 2898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.87517e-08,'m^3/(mol*s)'), n=4.00176, w0=(411,'kJ/mol'), E0=(19.879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20489458513244552, var=36.862434705500995, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 12.686447678837267"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 12.686447678837267""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 12.686447678837267 +""", +) + +entry( + index = 2899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S", + kinetics = ArrheniusBM(A=(105.657,'m^3/(mol*s)'), n=1.26177, w0=(411,'kJ/mol'), E0=(80.9433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1489293534502167, var=9.920133183177477, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S + Total Standard Deviation in ln(k): 6.688356654958094"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S +Total Standard Deviation in ln(k): 6.688356654958094""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S +Total Standard Deviation in ln(k): 6.688356654958094 +""", +) + +entry( + index = 2900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R", + kinetics = ArrheniusBM(A=(0.000529535,'m^3/(mol*s)'), n=2.73409, w0=(411,'kJ/mol'), E0=(68.4857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022238369465142092, var=10.441296440945955, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R + Total Standard Deviation in ln(k): 6.533774747872316"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R +Total Standard Deviation in ln(k): 6.533774747872316""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R +Total Standard Deviation in ln(k): 6.533774747872316 +""", +) + +entry( + index = 2901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(0.186489,'m^3/(mol*s)'), n=2.01139, w0=(411,'kJ/mol'), E0=(71.4903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02315048578388048, var=11.245566200857018, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 6.780927750863863"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 6.780927750863863""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 6.780927750863863 +""", +) + +entry( + index = 2902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0285714,'m^3/(mol*s)'), n=2.1874, w0=(411,'kJ/mol'), E0=(68.9867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06841139641592688, var=13.88727326906674, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 7.642659891951822"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.642659891951822""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.642659891951822 +""", +) + +entry( + index = 2903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(8.35382e-14,'m^3/(mol*s)'), n=5.40282, w0=(411,'kJ/mol'), E0=(54.7163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36646971715140875, var=21.611964211629072, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 10.240524891738765"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 10.240524891738765""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 10.240524891738765 +""", +) + +entry( + index = 2904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.01871e-09,'m^3/(mol*s)'), n=4.02861, w0=(411,'kJ/mol'), E0=(76.9002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010681100159030142, var=13.72896683862688, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 7.454905732087748"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.454905732087748""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.454905732087748 +""", +) + +entry( + index = 2905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.52144e-10,'m^3/(mol*s)'), n=4.29632, w0=(411,'kJ/mol'), E0=(77.2369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04230539744605675, var=27.869032252897206, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_Sp-9C=8C + Total Standard Deviation in ln(k): 10.689517632677285"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_Sp-9C=8C +Total Standard Deviation in ln(k): 10.689517632677285""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_Sp-9C=8C +Total Standard Deviation in ln(k): 10.689517632677285 +""", +) + +entry( + index = 2906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(4.41416e-10,'m^3/(mol*s)'), n=4.27177, w0=(411,'kJ/mol'), E0=(72.0374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07404772074465998, var=53.87790713516142, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_N-Sp-9C=8C + Total Standard Deviation in ln(k): 14.901120082074389"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_N-Sp-9C=8C +Total Standard Deviation in ln(k): 14.901120082074389""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Ext-1C-R_N-Sp-9C=8C +Total Standard Deviation in ln(k): 14.901120082074389 +""", +) + +entry( + index = 2907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-9C=8C", + kinetics = ArrheniusBM(A=(2.32723e-09,'m^3/(mol*s)'), n=4.15313, w0=(411,'kJ/mol'), E0=(36.5241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10499184221460565, var=61.98705698179678, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-9C=8C + Total Standard Deviation in ln(k): 16.047450640606034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-9C=8C +Total Standard Deviation in ln(k): 16.047450640606034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-9C=8C +Total Standard Deviation in ln(k): 16.047450640606034 +""", +) + +entry( + index = 2908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.68519e-10,'m^3/(mol*s)'), n=4.66884, w0=(411,'kJ/mol'), E0=(70.9555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4350917822741825, var=86.9465580703281, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-9C=8C + Total Standard Deviation in ln(k): 19.78637537722779"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-9C=8C +Total Standard Deviation in ln(k): 19.78637537722779""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-9C=8C +Total Standard Deviation in ln(k): 19.78637537722779 +""", +) + +entry( + index = 2909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.2502e-07,'m^3/(mol*s)'), n=3.69811, w0=(411,'kJ/mol'), E0=(48.7837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0033896968395527, var=20.13252733994916, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C + Total Standard Deviation in ln(k): 9.003619774541509"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C +Total Standard Deviation in ln(k): 9.003619774541509""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C +Total Standard Deviation in ln(k): 9.003619774541509 +""", +) + +entry( + index = 2910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.76236e-09,'m^3/(mol*s)'), n=4.04218, w0=(411,'kJ/mol'), E0=(41.1659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16231956613584353, var=87.93013206216256, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C_Ext-1C-R + Total Standard Deviation in ln(k): 19.206453045507587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C_Ext-1C-R +Total Standard Deviation in ln(k): 19.206453045507587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_Sp-9C=8C_Ext-1C-R +Total Standard Deviation in ln(k): 19.206453045507587 +""", +) + +entry( + index = 2911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing", + kinetics = ArrheniusBM(A=(9.85214e-09,'m^3/(mol*s)'), n=4.09752, w0=(411,'kJ/mol'), E0=(37.9551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41932682656484777, var=2.472892388943335, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing + Total Standard Deviation in ln(k): 4.206117679190869"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing +Total Standard Deviation in ln(k): 4.206117679190869""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing +Total Standard Deviation in ln(k): 4.206117679190869 +""", +) + +entry( + index = 2912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.81979e-11,'m^3/(mol*s)'), n=4.68614, w0=(411,'kJ/mol'), E0=(25.489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5852156479823346, var=11.921251459635961, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.392173022028489"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.392173022028489""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_8C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.392173022028489 +""", +) + +entry( + index = 2913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing", + kinetics = ArrheniusBM(A=(9.97238e-07,'m^3/(mol*s)'), n=3.60907, w0=(411,'kJ/mol'), E0=(42.9219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1398303664240645, var=4.495843037037159, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing + Total Standard Deviation in ln(k): 4.602053177651729"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing +Total Standard Deviation in ln(k): 4.602053177651729""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing +Total Standard Deviation in ln(k): 4.602053177651729 +""", +) + +entry( + index = 2914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.74507e-09,'m^3/(mol*s)'), n=4.33085, w0=(411,'kJ/mol'), E0=(32.9051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1457363078843379, var=11.205786243086509, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 7.0770312804803375"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.0770312804803375""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_Ext-1C-R_N-8C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.0770312804803375 +""", +) + +entry( + index = 2915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(2.94389e-10,'m^3/(mol*s)'), n=4.73048, w0=(411,'kJ/mol'), E0=(49.4272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6093304054371428, var=0.0035219851198881793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_8C-inRing + Total Standard Deviation in ln(k): 1.649954557845373"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 1.649954557845373""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 1.649954557845373 +""", +) + +entry( + index = 2916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(5.27862e-05,'m^3/(mol*s)'), n=3.21642, w0=(411,'kJ/mol'), E0=(62.5917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27167932538201595, var=4.5356614264747845, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 4.952114178752182"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 4.952114178752182""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 4.952114178752182 +""", +) + +entry( + index = 2917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C", + kinetics = ArrheniusBM(A=(3.90658e-10,'m^3/(mol*s)'), n=4.60413, w0=(411,'kJ/mol'), E0=(52.4312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4106911387217503, var=10.488193755329483, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C + Total Standard Deviation in ln(k): 7.524318246526404"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C +Total Standard Deviation in ln(k): 7.524318246526404""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C +Total Standard Deviation in ln(k): 7.524318246526404 +""", +) + +entry( + index = 2918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(2.69e-09,'m^3/(mol*s)'), n=4.52867, w0=(411,'kJ/mol'), E0=(45.373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4197835628073301, var=3.6582566490762103, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C + Total Standard Deviation in ln(k): 4.889103069880304"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C +Total Standard Deviation in ln(k): 4.889103069880304""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C +Total Standard Deviation in ln(k): 4.889103069880304 +""", +) + +entry( + index = 2919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.8234e-05,'m^3/(mol*s)'), n=2.97851, w0=(411,'kJ/mol'), E0=(82.1429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07149482310680176, var=2.858617225770096, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 3.5691301950236403"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 3.5691301950236403""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 3.5691301950236403 +""", +) + +entry( + index = 2920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00161927,'m^3/(mol*s)'), n=2.54932, w0=(411,'kJ/mol'), E0=(85.8443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21824850332491594, var=5.687051902678804, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.329163178629782"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.329163178629782""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.329163178629782 +""", +) + +entry( + index = 2921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.07657e-08,'m^3/(mol*s)'), n=3.92825, w0=(411,'kJ/mol'), E0=(68.7513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24947733148059492, var=0.3209832575477144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 1.7626178292632628"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.7626178292632628""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-8C-R_N-9R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.7626178292632628 +""", +) + +entry( + index = 2922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.86603e-08,'m^3/(mol*s)'), n=4.25881, w0=(411,'kJ/mol'), E0=(27.5493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.242380374885705, var=2.509221596581203, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 3.7846010684680955"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.7846010684680955""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.7846010684680955 +""", +) + +entry( + index = 2923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.94074e-07,'m^3/(mol*s)'), n=3.91074, w0=(411,'kJ/mol'), E0=(35.9528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4245705324961563, var=0.08855243385384434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 1.6633244045115834"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.6633244045115834""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_Ext-4C-R_N-7R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.6633244045115834 +""", +) + +entry( + index = 2924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_1C-inRing", + kinetics = ArrheniusBM(A=(2.17183e-06,'m^3/(mol*s)'), n=3.62573, w0=(411,'kJ/mol'), E0=(20.6161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14520686495057628, var=7.5276612540562144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_1C-inRing + Total Standard Deviation in ln(k): 5.865149544965096"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_1C-inRing +Total Standard Deviation in ln(k): 5.865149544965096""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_1C-inRing +Total Standard Deviation in ln(k): 5.865149544965096 +""", +) + +entry( + index = 2925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing", + kinetics = ArrheniusBM(A=(3.70498e-07,'m^3/(mol*s)'), n=3.54344, w0=(411,'kJ/mol'), E0=(37.0427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1109664205474357, var=7.648613975125493, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing + Total Standard Deviation in ln(k): 5.823131025694927"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 5.823131025694927""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 5.823131025694927 +""", +) + +entry( + index = 2926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.84549e-07,'m^3/(mol*s)'), n=3.53346, w0=(411,'kJ/mol'), E0=(36.9218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1019570489447162, var=7.796208680474164, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 5.853732969288927"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.853732969288927""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.853732969288927 +""", +) + +entry( + index = 2927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(0.0291629,'m^3/(mol*s)'), n=2.32009, w0=(411,'kJ/mol'), E0=(65.4416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05924609016509236, var=12.840745709462432, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 7.332624443917184"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 7.332624443917184""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 7.332624443917184 +""", +) + +entry( + index = 2928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.14919e-10,'m^3/(mol*s)'), n=4.72558, w0=(411,'kJ/mol'), E0=(27.762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32153571491493044, var=16.95004017186034, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 9.061458493824514"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 9.061458493824514""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 9.061458493824514 +""", +) + +entry( + index = 2929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0157886,'m^3/(mol*s)'), n=2.362, w0=(411,'kJ/mol'), E0=(67.4327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04397885671122876, var=14.328676370933238, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 7.699071067636169"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 7.699071067636169""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 7.699071067636169 +""", +) + +entry( + index = 2930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000702987,'m^3/(mol*s)'), n=2.80765, w0=(411,'kJ/mol'), E0=(70.0622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04729670481383545, var=18.344464287576905, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 8.705204107818648"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 8.705204107818648""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 8.705204107818648 +""", +) + +entry( + index = 2931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C", + kinetics = ArrheniusBM(A=(0.00560681,'m^3/(mol*s)'), n=2.52528, w0=(411,'kJ/mol'), E0=(71.2012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02540930428323779, var=20.057144224451296, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C + Total Standard Deviation in ln(k): 9.042089246192608"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C +Total Standard Deviation in ln(k): 9.042089246192608""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C +Total Standard Deviation in ln(k): 9.042089246192608 +""", +) + +entry( + index = 2932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(3.16038e-12,'m^3/(mol*s)'), n=5.16569, w0=(411,'kJ/mol'), E0=(29.5755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17903782566693008, var=8.450819639860683, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 6.277667491386618"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 6.277667491386618""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 6.277667491386618 +""", +) + +entry( + index = 2933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_7R!H->C", + kinetics = ArrheniusBM(A=(1.12614e-09,'m^3/(mol*s)'), n=4.47275, w0=(411,'kJ/mol'), E0=(37.7533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1709950872955576, var=14.629614256675366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_7R!H->C + Total Standard Deviation in ln(k): 8.097482691950402"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_7R!H->C +Total Standard Deviation in ln(k): 8.097482691950402""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_7R!H->C +Total Standard Deviation in ln(k): 8.097482691950402 +""", +) + +entry( + index = 2934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.07426e-10,'m^3/(mol*s)'), n=4.47317, w0=(411,'kJ/mol'), E0=(35.2676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030818291030705745, var=26.04143464735175, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_N-7R!H->C + Total Standard Deviation in ln(k): 10.307758170216308"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_N-7R!H->C +Total Standard Deviation in ln(k): 10.307758170216308""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H_N-7R!H->C +Total Standard Deviation in ln(k): 10.307758170216308 +""", +) + +entry( + index = 2935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(6.82093e-06,'m^3/(mol*s)'), n=3.36997, w0=(411,'kJ/mol'), E0=(79.5949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19470378066279057, var=43.40414264823421, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 13.696765119426944"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 13.696765119426944""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 13.696765119426944 +""", +) + +entry( + index = 2936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_7R!H->C", + kinetics = ArrheniusBM(A=(8.41901e-11,'m^3/(mol*s)'), n=4.75064, w0=(411,'kJ/mol'), E0=(36.2281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4713742510179608, var=2.0018591230584497, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_7R!H->C + Total Standard Deviation in ln(k): 4.020798354837321"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_7R!H->C +Total Standard Deviation in ln(k): 4.020798354837321""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_7R!H->C +Total Standard Deviation in ln(k): 4.020798354837321 +""", +) + +entry( + index = 2937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.12358e-10,'m^3/(mol*s)'), n=4.60436, w0=(411,'kJ/mol'), E0=(99.2646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22817580065044932, var=93.6529613801901, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_N-7R!H->C + Total Standard Deviation in ln(k): 19.974021518363568"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_N-7R!H->C +Total Standard Deviation in ln(k): 19.974021518363568""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H_N-7R!H->C +Total Standard Deviation in ln(k): 19.974021518363568 +""", +) + +entry( + index = 2938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.95672e-09,'m^3/(mol*s)'), n=4.49538, w0=(411,'kJ/mol'), E0=(60.1623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21227351611245288, var=101.59195896217976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C + Total Standard Deviation in ln(k): 20.73964403762266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 20.73964403762266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 20.73964403762266 +""", +) + +entry( + index = 2939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.1387,'m^3/(mol*s)'), n=1.73786, w0=(411,'kJ/mol'), E0=(66.3964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06382626075196995, var=11.558712798344953, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 6.976087256856624"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 6.976087256856624""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 6.976087256856624 +""", +) + +entry( + index = 2940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_7R!H->C", + kinetics = ArrheniusBM(A=(2.17897e-10,'m^3/(mol*s)'), n=4.60314, w0=(411,'kJ/mol'), E0=(18.9303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3416950282948295, var=0.28487753883378386, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_7R!H->C + Total Standard Deviation in ln(k): 1.9285359280644365"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 1.9285359280644365""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 1.9285359280644365 +""", +) + +entry( + index = 2941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.19642e-10,'m^3/(mol*s)'), n=4.46817, w0=(411,'kJ/mol'), E0=(57.0707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11594792743144255, var=25.125154993311316, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_N-7R!H->C + Total Standard Deviation in ln(k): 10.340060774966336"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 10.340060774966336""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 10.340060774966336 +""", +) + +entry( + index = 2942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.44308,'m^3/(mol*s)'), n=1.60188, w0=(411,'kJ/mol'), E0=(64.3306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11308656218845763, var=36.83772013894087, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 12.451693308846536"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 12.451693308846536""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 12.451693308846536 +""", +) + +entry( + index = 2943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_7R!H->C", + kinetics = ArrheniusBM(A=(3.33758e-07,'m^3/(mol*s)'), n=3.54422, w0=(411,'kJ/mol'), E0=(0.0663209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7088182529307429, var=25.108735342798113, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_7R!H->C + Total Standard Deviation in ln(k): 11.826400675477412"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 11.826400675477412""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 11.826400675477412 +""", +) + +entry( + index = 2944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_N-7R!H->C", + kinetics = ArrheniusBM(A=(9.85479e-11,'m^3/(mol*s)'), n=4.60442, w0=(411,'kJ/mol'), E0=(64.1554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22716863960440759, var=72.55895302810453, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_N-7R!H->C + Total Standard Deviation in ln(k): 17.64741823738535"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 17.64741823738535""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 17.64741823738535 +""", +) + +entry( + index = 2945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(3.19354e-08,'m^3/(mol*s)'), n=4.13346, w0=(411,'kJ/mol'), E0=(-1.83222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5842635312715749, var=0.36544456857043256, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 2.6799015003800184"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 2.6799015003800184""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 2.6799015003800184 +""", +) + +entry( + index = 2946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.08251e-10,'m^3/(mol*s)'), n=4.60214, w0=(411,'kJ/mol'), E0=(61.0334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.248165705364816, var=0.6964546164700836, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 2.296560657718227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.296560657718227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.296560657718227 +""", +) + +entry( + index = 2947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(3.26167e-10,'m^3/(mol*s)'), n=4.33832, w0=(411,'kJ/mol'), E0=(21.1626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11500694502759616, var=5.875763411063768, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 5.148434795285516"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.148434795285516""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.148434795285516 +""", +) + +entry( + index = 2948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.20498e-10,'m^3/(mol*s)'), n=4.27993, w0=(411,'kJ/mol'), E0=(16.2077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03752046711752771, var=6.369730576081934, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 5.153888107623738"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.153888107623738""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.153888107623738 +""", +) + +entry( + index = 2949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.99499e-10,'m^3/(mol*s)'), n=4.23031, w0=(411,'kJ/mol'), E0=(16.8027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03326637512883265, var=7.477219375171232, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.565432632552213"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.565432632552213""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.565432632552213 +""", +) + +entry( + index = 2950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H", + kinetics = ArrheniusBM(A=(1.29842e-05,'m^3/(mol*s)'), n=3.07, w0=(411,'kJ/mol'), E0=(23.7823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1622408205896171, var=5.453669320277126, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H + Total Standard Deviation in ln(k): 5.089316634425491"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 5.089316634425491""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 5.089316634425491 +""", +) + +entry( + index = 2951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S", + kinetics = ArrheniusBM(A=(1.15908e-07,'m^3/(mol*s)'), n=3.63652, w0=(411,'kJ/mol'), E0=(2.3348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09773546993054795, var=0.6538095305485021, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S + Total Standard Deviation in ln(k): 1.8665650070980448"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S +Total Standard Deviation in ln(k): 1.8665650070980448""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S +Total Standard Deviation in ln(k): 1.8665650070980448 +""", +) + +entry( + index = 2952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.47331e-05,'m^3/(mol*s)'), n=2.9178, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15230955725550105, var=1.8674351099275743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 3.122240597838972"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.122240597838972""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.122240597838972 +""", +) + +entry( + index = 2953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.62248e-05,'m^3/(mol*s)'), n=3.05261, w0=(411,'kJ/mol'), E0=(25.1528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0714525336135936, var=9.810814436812315, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S + Total Standard Deviation in ln(k): 6.45880422195932"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S +Total Standard Deviation in ln(k): 6.45880422195932""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S +Total Standard Deviation in ln(k): 6.45880422195932 +""", +) + +entry( + index = 2954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R", + kinetics = ArrheniusBM(A=(6.91367e-07,'m^3/(mol*s)'), n=3.43787, w0=(411,'kJ/mol'), E0=(0.240794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12032994620097655, var=19.304938646211383, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R + Total Standard Deviation in ln(k): 9.110618386058455"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R +Total Standard Deviation in ln(k): 9.110618386058455""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R +Total Standard Deviation in ln(k): 9.110618386058455 +""", +) + +entry( + index = 2955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.89707e-05,'m^3/(mol*s)'), n=2.89275, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15317062153227315, var=101.93368821042517, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R_Ext-1C-R + Total Standard Deviation in ln(k): 20.625100161660594"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R_Ext-1C-R +Total Standard Deviation in ln(k): 20.625100161660594""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-8C-R_Ext-1C-R +Total Standard Deviation in ln(k): 20.625100161660594 +""", +) + +entry( + index = 2956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.37576e-10,'m^3/(mol*s)'), n=4.2808, w0=(411,'kJ/mol'), E0=(6.72561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005851726759044948, var=22.163795304498258, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 9.452682874259859"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 9.452682874259859""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 9.452682874259859 +""", +) + +entry( + index = 2957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H", + kinetics = ArrheniusBM(A=(2.81785e-10,'m^3/(mol*s)'), n=4.28784, w0=(411,'kJ/mol'), E0=(19.7062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001347438307237588, var=8.647311864611794, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H + Total Standard Deviation in ln(k): 5.898572043180918"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 5.898572043180918""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 5.898572043180918 +""", +) + +entry( + index = 2958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.06257e-08,'m^3/(mol*s)'), n=3.61279, w0=(411,'kJ/mol'), E0=(9.15879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08048453554324836, var=29.55935611353673, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.101669710442952"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.101669710442952""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.101669710442952 +""", +) + +entry( + index = 2959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.03438e-07,'m^3/(mol*s)'), n=3.30329, w0=(411,'kJ/mol'), E0=(4.32323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11657341211325889, var=123.55094043962399, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 22.576224184791776"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 22.576224184791776""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 22.576224184791776 +""", +) + +entry( + index = 2960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.17281e-11,'m^3/(mol*s)'), n=4.68392, w0=(411,'kJ/mol'), E0=(16.2567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04231434253352346, var=11.362068769183145, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 6.863811870120978"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.863811870120978""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.863811870120978 +""", +) + +entry( + index = 2961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(1.80257e-09,'m^3/(mol*s)'), n=4.08486, w0=(411,'kJ/mol'), E0=(24.57,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019780331531002584, var=8.951447674964378, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 6.047660194784558"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 6.047660194784558""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 6.047660194784558 +""", +) + +entry( + index = 2962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(1.5089e-10,'m^3/(mol*s)'), n=4.35171, w0=(411,'kJ/mol'), E0=(20.965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08352278133985575, var=14.296705290029223, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C + Total Standard Deviation in ln(k): 7.789956875678828"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C +Total Standard Deviation in ln(k): 7.789956875678828""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C +Total Standard Deviation in ln(k): 7.789956875678828 +""", +) + +entry( + index = 2963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.50247e-06,'m^3/(mol*s)'), n=2.86977, w0=(411,'kJ/mol'), E0=(31.8055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07333494526756706, var=31.628449265028273, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.45872355819923"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.45872355819923""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.45872355819923 +""", +) + +entry( + index = 2964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(6.31305e-11,'m^3/(mol*s)'), n=4.27963, w0=(411,'kJ/mol'), E0=(16.4998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010621814096386215, var=104.76152765783281, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 20.545768735488966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 20.545768735488966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 20.545768735488966 +""", +) + +entry( + index = 2965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(5.93123e-10,'m^3/(mol*s)'), n=4.18016, w0=(411,'kJ/mol'), E0=(9.53937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.27727e-11,'m^3/(mol*s)'), n=4.65483, w0=(411,'kJ/mol'), E0=(19.8672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05063126778953555, var=9.080379911462154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 6.168216512093801"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 6.168216512093801""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 6.168216512093801 +""", +) + +entry( + index = 2967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.01636e-11,'m^3/(mol*s)'), n=4.59247, w0=(411,'kJ/mol'), E0=(16.4209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07436532954001447, var=19.42098391455158, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 9.021563773449861"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 9.021563773449861""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 9.021563773449861 +""", +) + +entry( + index = 2968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(1.47812e-10,'m^3/(mol*s)'), n=4.33808, w0=(411,'kJ/mol'), E0=(18.1416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1905404200130526, var=25.48918941404406, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C + Total Standard Deviation in ln(k): 10.600014570057992"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C +Total Standard Deviation in ln(k): 10.600014570057992""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C +Total Standard Deviation in ln(k): 10.600014570057992 +""", +) + +entry( + index = 2969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.91523e-11,'m^3/(mol*s)'), n=4.54454, w0=(411,'kJ/mol'), E0=(17.5342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02703328277009673, var=51.946264878804705, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 14.516801758110168"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.516801758110168""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.516801758110168 +""", +) + +entry( + index = 2970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(9.14454e-10,'m^3/(mol*s)'), n=4.1657, w0=(411,'kJ/mol'), E0=(24.1271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28855719926530576, var=203.40867727366228, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 29.316833229134915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 29.316833229134915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 29.316833229134915 +""", +) + +entry( + index = 2971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(3.74489e-10,'m^3/(mol*s)'), n=4.17693, w0=(411,'kJ/mol'), E0=(20.7087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04647410564913305, var=37.05677954760872, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 12.320449534668855"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 12.320449534668855""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 12.320449534668855 +""", +) + +entry( + index = 2972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.52047e-10,'m^3/(mol*s)'), n=4.36063, w0=(411,'kJ/mol'), E0=(32.8355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0947921918612968, var=56.70760992307402, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 15.33471964442577"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.33471964442577""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.33471964442577 +""", +) + +entry( + index = 2973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.39566e-09,'m^3/(mol*s)'), n=3.87499, w0=(411,'kJ/mol'), E0=(18.2971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1143744678708509, var=6.5379511931931225, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R + Total Standard Deviation in ln(k): 5.413363883409005"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.413363883409005""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.413363883409005 +""", +) + +entry( + index = 2974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S", + kinetics = ArrheniusBM(A=(1.08042e-08,'m^3/(mol*s)'), n=3.65489, w0=(411,'kJ/mol'), E0=(2.54098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07797470204710558, var=17.386498799643235, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S + Total Standard Deviation in ln(k): 8.555084398890749"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 8.555084398890749""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 8.555084398890749 +""", +) + +entry( + index = 2975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.36948e-12,'m^3/(mol*s)'), n=4.9236, w0=(411,'kJ/mol'), E0=(14.9813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2577303322366259, var=21.283833643751443, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S + Total Standard Deviation in ln(k): 9.896289732850374"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 9.896289732850374""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 9.896289732850374 +""", +) + +entry( + index = 2976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C", + kinetics = ArrheniusBM(A=(3.49424e-11,'m^3/(mol*s)'), n=4.71416, w0=(411,'kJ/mol'), E0=(23.4519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2598969500962947, var=1.8666086349440094, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C + Total Standard Deviation in ln(k): 3.3919543881186445"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C +Total Standard Deviation in ln(k): 3.3919543881186445""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C +Total Standard Deviation in ln(k): 3.3919543881186445 +""", +) + +entry( + index = 2977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.55257e-12,'m^3/(mol*s)'), n=4.84343, w0=(411,'kJ/mol'), E0=(16.642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18145066399462192, var=20.14373635971429, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C + Total Standard Deviation in ln(k): 9.453512855127228"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 9.453512855127228""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 9.453512855127228 +""", +) + +entry( + index = 2978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.29066e-08,'m^3/(mol*s)'), n=3.72723, w0=(411,'kJ/mol'), E0=(16.7414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029817307998609592, var=2.973492655178495, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.5318465771985714"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.5318465771985714""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.5318465771985714 +""", +) + +entry( + index = 2979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_7R!H->S", + kinetics = ArrheniusBM(A=(1.62e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(8.7864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.661338147749594e-16, var=5.399752896237818e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_7R!H->S + Total Standard Deviation in ln(k): 4.825847056699374e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 4.825847056699374e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 4.825847056699374e-14 +""", +) + +entry( + index = 2980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(2.80263e-09,'m^3/(mol*s)'), n=4.1482, w0=(411,'kJ/mol'), E0=(15.749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16948695629556798, var=13.923618532395245, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_N-7R!H->S + Total Standard Deviation in ln(k): 7.906388312524579"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 7.906388312524579""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 7.906388312524579 +""", +) + +entry( + index = 2981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S", + kinetics = ArrheniusBM(A=(1.87093e-11,'m^3/(mol*s)'), n=4.62525, w0=(411,'kJ/mol'), E0=(16.4126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25325090931715233, var=7.733647119535407, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S + Total Standard Deviation in ln(k): 6.211363933207606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 6.211363933207606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 6.211363933207606 +""", +) + +entry( + index = 2982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(3.43729e-10,'m^3/(mol*s)'), n=4.40828, w0=(411,'kJ/mol'), E0=(23.0309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0883638499593955, var=19.08655575758651, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S + Total Standard Deviation in ln(k): 8.980338982598155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 8.980338982598155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 8.980338982598155 +""", +) + +entry( + index = 2983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing", + kinetics = ArrheniusBM(A=(8.85741e-12,'m^3/(mol*s)'), n=4.96794, w0=(411,'kJ/mol'), E0=(32.7192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46854122601762, var=0.3861416966136781, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing + Total Standard Deviation in ln(k): 2.4229876658834844"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing +Total Standard Deviation in ln(k): 2.4229876658834844""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing +Total Standard Deviation in ln(k): 2.4229876658834844 +""", +) + +entry( + index = 2984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(3.5953e-09,'m^3/(mol*s)'), n=4.1294, w0=(411,'kJ/mol'), E0=(38.0376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3007204337860278, var=4.771107979329564, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing + Total Standard Deviation in ln(k): 5.1344949584920005"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing +Total Standard Deviation in ln(k): 5.1344949584920005""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing +Total Standard Deviation in ln(k): 5.1344949584920005 +""", +) + +entry( + index = 2985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.10866e-11,'m^3/(mol*s)'), n=4.68901, w0=(411,'kJ/mol'), E0=(36.9017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31975318837806516, var=7.694403979993318, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.36429223996507"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.36429223996507""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.36429223996507 +""", +) + +entry( + index = 2986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.02733e-13,'m^3/(mol*s)'), n=5.41929, w0=(411,'kJ/mol'), E0=(28.3012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34544529002764246, var=9.568099232210605, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 7.069068552263616"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 7.069068552263616""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 7.069068552263616 +""", +) + +entry( + index = 2987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(1.17463e-11,'m^3/(mol*s)'), n=4.84159, w0=(411,'kJ/mol'), E0=(33.7405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3228133661238243, var=17.653963968830475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 9.234308151358702"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 9.234308151358702""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 9.234308151358702 +""", +) + +entry( + index = 2988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(6.91742e-11,'m^3/(mol*s)'), n=4.76613, w0=(411,'kJ/mol'), E0=(33.6238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3526103787282604, var=31.53303823999627, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 12.14340239274608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 12.14340239274608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 12.14340239274608 +""", +) + +entry( + index = 2989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.10147e-12,'m^3/(mol*s)'), n=4.73783, w0=(411,'kJ/mol'), E0=(40.8684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2962038384735807, var=18.351795906736477, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 9.332314575068818"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 9.332314575068818""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 9.332314575068818 +""", +) + +entry( + index = 2990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C", + kinetics = ArrheniusBM(A=(1.25371e-10,'m^3/(mol*s)'), n=4.64924, w0=(411,'kJ/mol'), E0=(28.6075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3466007496225665, var=8.042633882723555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C + Total Standard Deviation in ln(k): 6.556192189754068"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C +Total Standard Deviation in ln(k): 6.556192189754068""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C +Total Standard Deviation in ln(k): 6.556192189754068 +""", +) + +entry( + index = 2991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.37257e-12,'m^3/(mol*s)'), n=4.8851, w0=(411,'kJ/mol'), E0=(24.7942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5093426534093747, var=4.251502314519231, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C + Total Standard Deviation in ln(k): 5.413353038652109"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 5.413353038652109""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_6R!H->S_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 5.413353038652109 +""", +) + +entry( + index = 2992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.000422884,'m^3/(mol*s)'), n=2.68154, w0=(411,'kJ/mol'), E0=(52.3057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03362030424459872, var=10.926000202133395, Tref=1000.0, N=568, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R',), comment="""BM rule fitted to 568 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R + Total Standard Deviation in ln(k): 6.711024839327439"""), + rank = 11, + shortDesc = """BM rule fitted to 568 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 6.711024839327439""", + longDesc = +""" +BM rule fitted to 568 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 6.711024839327439 +""", +) + +entry( + index = 2993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1785.69,'m^3/(mol*s)'), n=0.738123, w0=(411,'kJ/mol'), E0=(75.4382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2261790633629806, var=13.928933462695392, Tref=1000.0, N=186, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R',), comment="""BM rule fitted to 186 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R + Total Standard Deviation in ln(k): 8.050258394339014"""), + rank = 11, + shortDesc = """BM rule fitted to 186 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R +Total Standard Deviation in ln(k): 8.050258394339014""", + longDesc = +""" +BM rule fitted to 186 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R +Total Standard Deviation in ln(k): 8.050258394339014 +""", +) + +entry( + index = 2994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing", + kinetics = ArrheniusBM(A=(1.23552e+12,'m^3/(mol*s)'), n=-1.82196, w0=(411,'kJ/mol'), E0=(97.6041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.686123812016969, var=13.865909231534792, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing + Total Standard Deviation in ln(k): 9.188952446248262"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing +Total Standard Deviation in ln(k): 9.188952446248262""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing +Total Standard Deviation in ln(k): 9.188952446248262 +""", +) + +entry( + index = 2995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C", + kinetics = ArrheniusBM(A=(200.783,'m^3/(mol*s)'), n=0.825134, w0=(411,'kJ/mol'), E0=(74.0246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5026267035684873, var=3.2686332398123428, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C + Total Standard Deviation in ln(k): 4.887314247392755"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C +Total Standard Deviation in ln(k): 4.887314247392755""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C +Total Standard Deviation in ln(k): 4.887314247392755 +""", +) + +entry( + index = 2996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(73.9191,'m^3/(mol*s)'), n=1.06038, w0=(411,'kJ/mol'), E0=(79.1893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40883841765074425, var=4.497066300087568, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 5.278531048658507"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 5.278531048658507""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 5.278531048658507 +""", +) + +entry( + index = 2997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(525.782,'m^3/(mol*s)'), n=0.855413, w0=(411,'kJ/mol'), E0=(77.0874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4466092813018385, var=5.037663115522633, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 5.621709442632439"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 5.621709442632439""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 5.621709442632439 +""", +) + +entry( + index = 2998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R", + kinetics = ArrheniusBM(A=(0.503601,'m^3/(mol*s)'), n=1.74069, w0=(411,'kJ/mol'), E0=(74.9069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25354493429565456, var=7.030028471417894, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R + Total Standard Deviation in ln(k): 5.952442424530731"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 5.952442424530731""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 5.952442424530731 +""", +) + +entry( + index = 2999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(7.89e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(57.3367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.14e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(61.9513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.8e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(51.6002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(443.981,'m^3/(mol*s)'), n=0.61548, w0=(411,'kJ/mol'), E0=(68.6898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5710089097642355, var=4.422798045889588, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 5.650743726232626"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 5.650743726232626""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 5.650743726232626 +""", +) + +entry( + index = 3003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(4331.6,'m^3/(mol*s)'), n=0.371167, w0=(411,'kJ/mol'), E0=(67.0521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6177586588805144, var=5.007679618196648, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 6.038322584252209"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 6.038322584252209""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 6.038322584252209 +""", +) + +entry( + index = 3004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R", + kinetics = ArrheniusBM(A=(2.1499,'m^3/(mol*s)'), n=1.33826, w0=(411,'kJ/mol'), E0=(64.1734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3832189117713225, var=7.173194395445429, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R + Total Standard Deviation in ln(k): 6.332107431445461"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 6.332107431445461""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 6.332107431445461 +""", +) + +entry( + index = 3005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.33e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(42.1929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.92e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(47.5719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-10R!H-R_Ext-12R!H-R_Ext-13R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.03e-11,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(36.5207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_Sp-9R!H-1C_N-Sp-7R!H=4C_Ext-9R!H-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C", + kinetics = ArrheniusBM(A=(0.0067557,'m^3/(mol*s)'), n=2.7372, w0=(411,'kJ/mol'), E0=(40.3317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13607557262506026, var=36.38551754450725, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C + Total Standard Deviation in ln(k): 12.434542424997828"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C +Total Standard Deviation in ln(k): 12.434542424997828""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C +Total Standard Deviation in ln(k): 12.434542424997828 +""", +) + +entry( + index = 3009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(0.000211532,'m^3/(mol*s)'), n=3.24047, w0=(411,'kJ/mol'), E0=(3.71823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0182967316533937, var=128.9266618022681, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 22.808911936044005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 22.808911936044005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 22.808911936044005 +""", +) + +entry( + index = 3010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(0.00675337,'m^3/(mol*s)'), n=2.66502, w0=(411,'kJ/mol'), E0=(28.0208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17218143924058227, var=108.34235206677099, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 21.299429449509677"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 21.299429449509677""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_1C-inRing_Ext-1C-R_N-Sp-9R!H-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 21.299429449509677 +""", +) + +entry( + index = 3011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(123.334,'m^3/(mol*s)'), n=1.07326, w0=(411,'kJ/mol'), E0=(72.6133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17209363348576692, var=14.152071879449117, Tref=1000.0, N=170, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing',), comment="""BM rule fitted to 170 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing + Total Standard Deviation in ln(k): 7.97405698477021"""), + rank = 11, + shortDesc = """BM rule fitted to 170 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing +Total Standard Deviation in ln(k): 7.97405698477021""", + longDesc = +""" +BM rule fitted to 170 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing +Total Standard Deviation in ln(k): 7.97405698477021 +""", +) + +entry( + index = 3012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(415.519,'m^3/(mol*s)'), n=0.913392, w0=(411,'kJ/mol'), E0=(73.2097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19385294723690472, var=14.444987288465255, Tref=1000.0, N=166, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 166 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.106376438747086"""), + rank = 11, + shortDesc = """BM rule fitted to 166 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.106376438747086""", + longDesc = +""" +BM rule fitted to 166 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.106376438747086 +""", +) + +entry( + index = 3013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(339.203,'m^3/(mol*s)'), n=0.901244, w0=(411,'kJ/mol'), E0=(68.5876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23729355897230908, var=14.96815645559862, Tref=1000.0, N=130, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 130 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 8.352274728370684"""), + rank = 11, + shortDesc = """BM rule fitted to 130 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.352274728370684""", + longDesc = +""" +BM rule fitted to 130 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.352274728370684 +""", +) + +entry( + index = 3014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S", + kinetics = ArrheniusBM(A=(35.7174,'m^3/(mol*s)'), n=1.25424, w0=(411,'kJ/mol'), E0=(65.9413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18181741294757564, var=19.933898931901133, Tref=1000.0, N=58, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S',), comment="""BM rule fitted to 58 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S + Total Standard Deviation in ln(k): 9.407447586770347"""), + rank = 11, + shortDesc = """BM rule fitted to 58 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S +Total Standard Deviation in ln(k): 9.407447586770347""", + longDesc = +""" +BM rule fitted to 58 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S +Total Standard Deviation in ln(k): 9.407447586770347 +""", +) + +entry( + index = 3015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.61071e-16,'m^3/(mol*s)'), n=5.98659, w0=(411,'kJ/mol'), E0=(2.5613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16325462921293246, var=28.498167069433908, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 11.112200000794724"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 11.112200000794724""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 11.112200000794724 +""", +) + +entry( + index = 3016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(5.53861e-09,'m^3/(mol*s)'), n=3.66073, w0=(411,'kJ/mol'), E0=(8.14231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05288998246508433, var=17.23994238739454, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing + Total Standard Deviation in ln(k): 8.456751843866822"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing +Total Standard Deviation in ln(k): 8.456751843866822""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing +Total Standard Deviation in ln(k): 8.456751843866822 +""", +) + +entry( + index = 3017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(7.04913e-11,'m^3/(mol*s)'), n=4.276, w0=(411,'kJ/mol'), E0=(4.13168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010233232324522829, var=61.7975989752527, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 15.785224547661079"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.785224547661079""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.785224547661079 +""", +) + +entry( + index = 3018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.73576e-09,'m^3/(mol*s)'), n=3.67625, w0=(411,'kJ/mol'), E0=(1.0907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15429042221183184, var=49.39674956183067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.477508077704545"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.477508077704545""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_10R!H-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.477508077704545 +""", +) + +entry( + index = 3019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(2.37385e-17,'m^3/(mol*s)'), n=6.38226, w0=(411,'kJ/mol'), E0=(2.54918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18678748306784515, var=36.04728424096575, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 12.505622521005533"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 12.505622521005533""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 12.505622521005533 +""", +) + +entry( + index = 3020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(9.76099e-07,'m^3/(mol*s)'), n=3.37481, w0=(411,'kJ/mol'), E0=(37.1637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15647741186447595, var=51.016005496157405, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.712077747381516"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.712077747381516""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.712077747381516 +""", +) + +entry( + index = 3021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(7.44517e-21,'m^3/(mol*s)'), n=7.36379, w0=(411,'kJ/mol'), E0=(0.0532221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3854278775092479, var=47.38476278635036, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R + Total Standard Deviation in ln(k): 14.768324637534691"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R +Total Standard Deviation in ln(k): 14.768324637534691""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R +Total Standard Deviation in ln(k): 14.768324637534691 +""", +) + +entry( + index = 3022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C", + kinetics = ArrheniusBM(A=(1.99119e-11,'m^3/(mol*s)'), n=4.73206, w0=(411,'kJ/mol'), E0=(-0.389008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1999056523271406, var=34.11834607900515, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C + Total Standard Deviation in ln(k): 12.212115871020382"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C +Total Standard Deviation in ln(k): 12.212115871020382""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C +Total Standard Deviation in ln(k): 12.212115871020382 +""", +) + +entry( + index = 3023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H", + kinetics = ArrheniusBM(A=(1.04356e-08,'m^3/(mol*s)'), n=4.09918, w0=(411,'kJ/mol'), E0=(-0.443195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H", + kinetics = ArrheniusBM(A=(2.76835e-10,'m^3/(mol*s)'), n=4.33142, w0=(411,'kJ/mol'), E0=(11.1204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1475242385854289, var=91.89816694084028, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H + Total Standard Deviation in ln(k): 19.588762363592434"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H +Total Standard Deviation in ln(k): 19.588762363592434""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H +Total Standard Deviation in ln(k): 19.588762363592434 +""", +) + +entry( + index = 3025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C", + kinetics = ArrheniusBM(A=(8.13406e-11,'m^3/(mol*s)'), n=4.38368, w0=(411,'kJ/mol'), E0=(76.7867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03101631270776824, var=27.869402200774935, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C + Total Standard Deviation in ln(k): 10.661223341498165"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C +Total Standard Deviation in ln(k): 10.661223341498165""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C +Total Standard Deviation in ln(k): 10.661223341498165 +""", +) + +entry( + index = 3026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(4.80986e-18,'m^3/(mol*s)'), n=6.54859, w0=(411,'kJ/mol'), E0=(4.24097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.039065964335188386, var=40.90789250561014, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 12.92029651540065"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.92029651540065""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.92029651540065 +""", +) + +entry( + index = 3027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.83395e-25,'m^3/(mol*s)'), n=8.63409, w0=(411,'kJ/mol'), E0=(1.84964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35335265646001124, var=31.05309328795486, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R + Total Standard Deviation in ln(k): 12.059267589043712"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R +Total Standard Deviation in ln(k): 12.059267589043712""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R +Total Standard Deviation in ln(k): 12.059267589043712 +""", +) + +entry( + index = 3028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C", + kinetics = ArrheniusBM(A=(5.97134e-09,'m^3/(mol*s)'), n=4.03444, w0=(411,'kJ/mol'), E0=(29.3795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.058712988697543635, var=29.658512596699364, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C + Total Standard Deviation in ln(k): 11.065233054648925"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C +Total Standard Deviation in ln(k): 11.065233054648925""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C +Total Standard Deviation in ln(k): 11.065233054648925 +""", +) + +entry( + index = 3029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H", + kinetics = ArrheniusBM(A=(6.43329e-10,'m^3/(mol*s)'), n=4.31864, w0=(411,'kJ/mol'), E0=(-10.2792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_Sp-12C=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H", + kinetics = ArrheniusBM(A=(4.3828e-10,'m^3/(mol*s)'), n=4.35596, w0=(411,'kJ/mol'), E0=(43.4373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016713534169931852, var=4.495239127909973, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H + Total Standard Deviation in ln(k): 4.29242890216476"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H +Total Standard Deviation in ln(k): 4.29242890216476""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_12R!H->C_N-Sp-12C=10R!H +Total Standard Deviation in ln(k): 4.29242890216476 +""", +) + +entry( + index = 3031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C", + kinetics = ArrheniusBM(A=(2.86634e-11,'m^3/(mol*s)'), n=4.40823, w0=(411,'kJ/mol'), E0=(69.6804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04162184938026493, var=53.85920656742996, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C + Total Standard Deviation in ln(k): 14.817094083321185"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C +Total Standard Deviation in ln(k): 14.817094083321185""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Ext-1C-R_N-10R!H-inRing_N-Sp-7R!H=4C_Ext-10R!H-R_N-12R!H->C +Total Standard Deviation in ln(k): 14.817094083321185 +""", +) + +entry( + index = 3032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C", + kinetics = ArrheniusBM(A=(1.70682e+07,'m^3/(mol*s)'), n=-0.389271, w0=(411,'kJ/mol'), E0=(77.1255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24979755885330882, var=19.49633526255058, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C + Total Standard Deviation in ln(k): 9.479470555845188"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C +Total Standard Deviation in ln(k): 9.479470555845188""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C +Total Standard Deviation in ln(k): 9.479470555845188 +""", +) + +entry( + index = 3033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing", + kinetics = ArrheniusBM(A=(8.3569e-12,'m^3/(mol*s)'), n=4.67915, w0=(411,'kJ/mol'), E0=(16.4593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4521299328004779, var=19.52636410291552, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing + Total Standard Deviation in ln(k): 9.994657665398874"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing +Total Standard Deviation in ln(k): 9.994657665398874""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing +Total Standard Deviation in ln(k): 9.994657665398874 +""", +) + +entry( + index = 3034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.89374e-11,'m^3/(mol*s)'), n=4.64966, w0=(411,'kJ/mol'), E0=(21.9743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5202163953704492, var=61.30482963253554, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 17.00363094428913"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.00363094428913""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.00363094428913 +""", +) + +entry( + index = 3035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(4.86358e-12,'m^3/(mol*s)'), n=4.6742, w0=(411,'kJ/mol'), E0=(11.5752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35624355701927196, var=48.01320195766937, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.786206271739674"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.786206271739674""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_10R!H-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.786206271739674 +""", +) + +entry( + index = 3036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(2.00261e+08,'m^3/(mol*s)'), n=-0.666057, w0=(411,'kJ/mol'), E0=(82.3175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29291876792528354, var=21.570985389299913, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing + Total Standard Deviation in ln(k): 10.046883652281657"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing +Total Standard Deviation in ln(k): 10.046883652281657""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing +Total Standard Deviation in ln(k): 10.046883652281657 +""", +) + +entry( + index = 3037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C", + kinetics = ArrheniusBM(A=(8.30856e+09,'m^3/(mol*s)'), n=-1.17957, w0=(411,'kJ/mol'), E0=(86.3306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33592115472767115, var=24.718377373024303, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C + Total Standard Deviation in ln(k): 10.811080612852301"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 10.811080612852301""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 10.811080612852301 +""", +) + +entry( + index = 3038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(5.44182e+11,'m^3/(mol*s)'), n=-1.6661, w0=(411,'kJ/mol'), E0=(88.0955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3083784871022811, var=32.27687709163073, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 12.164270090491787"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.164270090491787""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.164270090491787 +""", +) + +entry( + index = 3039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R", + kinetics = ArrheniusBM(A=(8.91431e-10,'m^3/(mol*s)'), n=4.26599, w0=(411,'kJ/mol'), E0=(53.285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.131389917501072, var=29.08398963301169, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R + Total Standard Deviation in ln(k): 11.14157631286608"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R +Total Standard Deviation in ln(k): 11.14157631286608""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R +Total Standard Deviation in ln(k): 11.14157631286608 +""", +) + +entry( + index = 3040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C", + kinetics = ArrheniusBM(A=(4.17911e-10,'m^3/(mol*s)'), n=4.33915, w0=(411,'kJ/mol'), E0=(67.1953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.035808009096021685, var=13.976444995753923, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C + Total Standard Deviation in ln(k): 7.584688782326605"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C +Total Standard Deviation in ln(k): 7.584688782326605""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C +Total Standard Deviation in ln(k): 7.584688782326605 +""", +) + +entry( + index = 3041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C", + kinetics = ArrheniusBM(A=(2.28772e-10,'m^3/(mol*s)'), n=4.46106, w0=(411,'kJ/mol'), E0=(62.1832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1579699242031813, var=3.406356842682783, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C + Total Standard Deviation in ln(k): 4.0969122218396885"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C +Total Standard Deviation in ln(k): 4.0969122218396885""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C +Total Standard Deviation in ln(k): 4.0969122218396885 +""", +) + +entry( + index = 3042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C", + kinetics = ArrheniusBM(A=(1.14441e-09,'m^3/(mol*s)'), n=4.16686, w0=(411,'kJ/mol'), E0=(72.6449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08486441061110767, var=76.9020935431261, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C + Total Standard Deviation in ln(k): 17.79351862323109"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C +Total Standard Deviation in ln(k): 17.79351862323109""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C +Total Standard Deviation in ln(k): 17.79351862323109 +""", +) + +entry( + index = 3043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C", + kinetics = ArrheniusBM(A=(7.45441e-11,'m^3/(mol*s)'), n=4.61698, w0=(411,'kJ/mol'), E0=(20.6869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5291434961912133, var=113.17005796352124, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C + Total Standard Deviation in ln(k): 22.656162014541398"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C +Total Standard Deviation in ln(k): 22.656162014541398""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C +Total Standard Deviation in ln(k): 22.656162014541398 +""", +) + +entry( + index = 3044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Sp-10C-1C", + kinetics = ArrheniusBM(A=(8.23952e-10,'m^3/(mol*s)'), n=4.43148, w0=(411,'kJ/mol'), E0=(24.0545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26201651765812517, var=65.43344016405679, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Sp-10C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Sp-10C-1C + Total Standard Deviation in ln(k): 16.87482324969039"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Sp-10C-1C +Total Standard Deviation in ln(k): 16.87482324969039""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_Sp-10C-1C +Total Standard Deviation in ln(k): 16.87482324969039 +""", +) + +entry( + index = 3045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_N-Sp-10C-1C", + kinetics = ArrheniusBM(A=(9.47207e+11,'m^3/(mol*s)'), n=-1.7976, w0=(411,'kJ/mol'), E0=(25.1989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2702668895431466, var=94.21504341416298, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_N-Sp-10C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_N-Sp-10C-1C + Total Standard Deviation in ln(k): 20.137910090730607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_N-Sp-10C-1C +Total Standard Deviation in ln(k): 20.137910090730607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_Sp-7R!H=4C_N-Sp-10C-1C +Total Standard Deviation in ln(k): 20.137910090730607 +""", +) + +entry( + index = 3046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(4.43239e+07,'m^3/(mol*s)'), n=-0.562188, w0=(411,'kJ/mol'), E0=(83.4251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.321529277731567, var=25.662679047054965, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 10.963518598705924"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 10.963518598705924""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 10.963518598705924 +""", +) + +entry( + index = 3047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R", + kinetics = ArrheniusBM(A=(9.4174e-13,'m^3/(mol*s)'), n=5.07605, w0=(411,'kJ/mol'), E0=(55.5456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10872127088467463, var=13.437940664304474, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R + Total Standard Deviation in ln(k): 7.622086133365802"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R +Total Standard Deviation in ln(k): 7.622086133365802""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R +Total Standard Deviation in ln(k): 7.622086133365802 +""", +) + +entry( + index = 3048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C", + kinetics = ArrheniusBM(A=(8.13469e-12,'m^3/(mol*s)'), n=4.72442, w0=(411,'kJ/mol'), E0=(62.0478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021475005463256362, var=18.088814605374655, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C + Total Standard Deviation in ln(k): 8.580285451159705"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C +Total Standard Deviation in ln(k): 8.580285451159705""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C +Total Standard Deviation in ln(k): 8.580285451159705 +""", +) + +entry( + index = 3049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C", + kinetics = ArrheniusBM(A=(5.88076e-11,'m^3/(mol*s)'), n=4.4856, w0=(411,'kJ/mol'), E0=(56.496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.052349151155680416, var=23.247272485075857, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C + Total Standard Deviation in ln(k): 9.797445991795396"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C +Total Standard Deviation in ln(k): 9.797445991795396""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_11R!H->C +Total Standard Deviation in ln(k): 9.797445991795396 +""", +) + +entry( + index = 3050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C", + kinetics = ArrheniusBM(A=(5.5612e-10,'m^3/(mol*s)'), n=4.1914, w0=(411,'kJ/mol'), E0=(74.3765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1540569218912856, var=80.02967472996627, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C + Total Standard Deviation in ln(k): 18.321298615122473"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C +Total Standard Deviation in ln(k): 18.321298615122473""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_Sp-11R!H=10C_N-11R!H->C +Total Standard Deviation in ln(k): 18.321298615122473 +""", +) + +entry( + index = 3051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C", + kinetics = ArrheniusBM(A=(1.18105e-10,'m^3/(mol*s)'), n=4.64152, w0=(411,'kJ/mol'), E0=(52.4201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25101552767721763, var=0.3678942403050753, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C + Total Standard Deviation in ln(k): 1.8466500268044965"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C +Total Standard Deviation in ln(k): 1.8466500268044965""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Ext-10C-R_N-Sp-11R!H=10C +Total Standard Deviation in ln(k): 1.8466500268044965 +""", +) + +entry( + index = 3052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Sp-10C-1C", + kinetics = ArrheniusBM(A=(1.05121e-09,'m^3/(mol*s)'), n=4.2565, w0=(411,'kJ/mol'), E0=(9.67782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09607209956907838, var=51.552547203326164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Sp-10C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Sp-10C-1C + Total Standard Deviation in ln(k): 14.635405590917092"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Sp-10C-1C +Total Standard Deviation in ln(k): 14.635405590917092""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_Sp-10C-1C +Total Standard Deviation in ln(k): 14.635405590917092 +""", +) + +entry( + index = 3053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C-1C", + kinetics = ArrheniusBM(A=(1.64372e+07,'m^3/(mol*s)'), n=-0.499419, w0=(411,'kJ/mol'), E0=(-147.453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20086363655247794, var=76.73984348990759, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C-1C + Total Standard Deviation in ln(k): 18.0664184924921"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C-1C +Total Standard Deviation in ln(k): 18.0664184924921""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C-1C +Total Standard Deviation in ln(k): 18.0664184924921 +""", +) + +entry( + index = 3054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C", + kinetics = ArrheniusBM(A=(5.47124e-09,'m^3/(mol*s)'), n=4.32939, w0=(411,'kJ/mol'), E0=(39.8625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27712286852082785, var=11.569506970124097, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C + Total Standard Deviation in ln(k): 7.515190089214844"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 7.515190089214844""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 7.515190089214844 +""", +) + +entry( + index = 3055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(5.09068e-09,'m^3/(mol*s)'), n=4.41065, w0=(411,'kJ/mol'), E0=(43.7336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24193820162267615, var=36.121433602999694, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 12.656565164474191"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.656565164474191""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.656565164474191 +""", +) + +entry( + index = 3056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.30768e-09,'m^3/(mol*s)'), n=4.43519, w0=(411,'kJ/mol'), E0=(34.3397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1119377431122514, var=29.991874519263188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.26014973195733"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.26014973195733""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_Sp-9S-1C_N-10R!H-inRing_N-10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.26014973195733 +""", +) + +entry( + index = 3057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C", + kinetics = ArrheniusBM(A=(4.02545e-07,'m^3/(mol*s)'), n=3.79703, w0=(411,'kJ/mol'), E0=(72.8312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0183058158247304, var=17.895323854551837, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C + Total Standard Deviation in ln(k): 8.526598241945461"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C +Total Standard Deviation in ln(k): 8.526598241945461""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C +Total Standard Deviation in ln(k): 8.526598241945461 +""", +) + +entry( + index = 3058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.11661e-09,'m^3/(mol*s)'), n=4.47117, w0=(411,'kJ/mol'), E0=(74.9178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11093331420329615, var=23.677197392270234, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R + Total Standard Deviation in ln(k): 10.033611536701738"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R +Total Standard Deviation in ln(k): 10.033611536701738""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R +Total Standard Deviation in ln(k): 10.033611536701738 +""", +) + +entry( + index = 3059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(7.11302e-09,'m^3/(mol*s)'), n=4.27875, w0=(411,'kJ/mol'), E0=(72.112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023304080354569316, var=70.208151532211, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 16.856289253312568"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 16.856289253312568""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 16.856289253312568 +""", +) + +entry( + index = 3060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.265e-08,'m^3/(mol*s)'), n=4.2794, w0=(411,'kJ/mol'), E0=(77.8292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06824496816605147, var=252.06815821464426, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_Sp-7R!H=4C + Total Standard Deviation in ln(k): 31.9999559635359"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_Sp-7R!H=4C +Total Standard Deviation in ln(k): 31.9999559635359""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_Sp-7R!H=4C +Total Standard Deviation in ln(k): 31.9999559635359 +""", +) + +entry( + index = 3061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.24969e-09,'m^3/(mol*s)'), n=4.30394, w0=(411,'kJ/mol'), E0=(66.1499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.022985097544792388, var=222.11458438961841, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 29.93533903065285"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 29.93533903065285""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_Sp-11R!H=10R!H_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 29.93533903065285 +""", +) + +entry( + index = 3062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(8.51175e-09,'m^3/(mol*s)'), n=4.3396, w0=(411,'kJ/mol'), E0=(80.6579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1509646962961192, var=5.855660728039751, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 5.2304609522539085"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 5.2304609522539085""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 5.2304609522539085 +""", +) + +entry( + index = 3063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(8.60165e-09,'m^3/(mol*s)'), n=4.41059, w0=(411,'kJ/mol'), E0=(82.8723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21384162761809947, var=15.900287022406713, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_Sp-7R!H=4C + Total Standard Deviation in ln(k): 8.53120451592775"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.53120451592775""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.53120451592775 +""", +) + +entry( + index = 3064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.20913e-09,'m^3/(mol*s)'), n=4.43513, w0=(411,'kJ/mol'), E0=(77.007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0970896500444138, var=22.266557053995506, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 9.703778036184437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 9.703778036184437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Ext-10R!H-R_N-Sp-11R!H=10R!H_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 9.703778036184437 +""", +) + +entry( + index = 3065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.10529e-08,'m^3/(mol*s)'), n=4.2744, w0=(411,'kJ/mol'), E0=(57.0724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08283318682042953, var=53.9759308977752, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.936574101716069"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.936574101716069""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.936574101716069 +""", +) + +entry( + index = 3066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.84012e-09,'m^3/(mol*s)'), n=4.29894, w0=(411,'kJ/mol'), E0=(46.7644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040265076892597326, var=40.84810161368048, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 12.913935527186283"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.913935527186283""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H->S_N-Sp-9S-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.913935527186283 +""", +) + +entry( + index = 3067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(9636.41,'m^3/(mol*s)'), n=0.426085, w0=(411,'kJ/mol'), E0=(72.4752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2970134414180969, var=11.215050301004869, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S',), comment="""BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S + Total Standard Deviation in ln(k): 7.4598980117563425"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S +Total Standard Deviation in ln(k): 7.4598980117563425""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S +Total Standard Deviation in ln(k): 7.4598980117563425 +""", +) + +entry( + index = 3068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C", + kinetics = ArrheniusBM(A=(2.86951e-06,'m^3/(mol*s)'), n=3.59714, w0=(411,'kJ/mol'), E0=(59.2485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10480080814257627, var=6.941143251084046, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C + Total Standard Deviation in ln(k): 5.545003575006142"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C +Total Standard Deviation in ln(k): 5.545003575006142""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C +Total Standard Deviation in ln(k): 5.545003575006142 +""", +) + +entry( + index = 3069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(6.63581e-17,'m^3/(mol*s)'), n=6.67176, w0=(411,'kJ/mol'), E0=(31.4511,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37779800467509655, var=5.258683163313703, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R + Total Standard Deviation in ln(k): 5.546463383938148"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R +Total Standard Deviation in ln(k): 5.546463383938148""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R +Total Standard Deviation in ln(k): 5.546463383938148 +""", +) + +entry( + index = 3070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C", + kinetics = ArrheniusBM(A=(5.98003e-09,'m^3/(mol*s)'), n=4.3546, w0=(411,'kJ/mol'), E0=(54.2046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22560844117319967, var=7.775364993348811, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C + Total Standard Deviation in ln(k): 6.156927125755573"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C +Total Standard Deviation in ln(k): 6.156927125755573""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C +Total Standard Deviation in ln(k): 6.156927125755573 +""", +) + +entry( + index = 3071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(6.53077e-09,'m^3/(mol*s)'), n=4.41601, w0=(411,'kJ/mol'), E0=(58.7292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28421473274361675, var=13.630023119049108, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 8.115360974125185"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.115360974125185""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.115360974125185 +""", +) + +entry( + index = 3072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(2.34984e-08,'m^3/(mol*s)'), n=4.27898, w0=(411,'kJ/mol'), E0=(65.0716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11938721670344143, var=50.449563160380585, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_Sp-11C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_Sp-11C=10R!H + Total Standard Deviation in ln(k): 14.539171303874355"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 14.539171303874355""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 14.539171303874355 +""", +) + +entry( + index = 3073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_N-Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(1.7601e-09,'m^3/(mol*s)'), n=4.55687, w0=(411,'kJ/mol'), E0=(52.0776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47697070192418484, var=37.98646659225442, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_N-Sp-11C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_N-Sp-11C=10R!H + Total Standard Deviation in ln(k): 13.554235030067947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 13.554235030067947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_Sp-7R!H=4C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 13.554235030067947 +""", +) + +entry( + index = 3074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.68484e-09,'m^3/(mol*s)'), n=4.43986, w0=(411,'kJ/mol'), E0=(48.2503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14766498465639874, var=10.278697680116547, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 6.7982800222312125"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.7982800222312125""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.7982800222312125 +""", +) + +entry( + index = 3075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(6.02307e-09,'m^3/(mol*s)'), n=4.30352, w0=(411,'kJ/mol'), E0=(54.8047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015086400118056831, var=37.83368487593549, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_Sp-11C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_Sp-11C=10R!H + Total Standard Deviation in ln(k): 12.368849103962166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 12.368849103962166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 12.368849103962166 +""", +) + +entry( + index = 3076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_N-Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(4.51949e-10,'m^3/(mol*s)'), n=4.58141, w0=(411,'kJ/mol'), E0=(41.2219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3377978203841359, var=27.989042096135886, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_N-Sp-11C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_N-Sp-11C=10R!H + Total Standard Deviation in ln(k): 11.45472320575333"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 11.45472320575333""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_11R!H->C_N-Sp-7R!H=4C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 11.45472320575333 +""", +) + +entry( + index = 3077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C", + kinetics = ArrheniusBM(A=(3.28165e-08,'m^3/(mol*s)'), n=4.25673, w0=(411,'kJ/mol'), E0=(74.4427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08093875354249344, var=1.2942337449606751, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C + Total Standard Deviation in ln(k): 2.4840384239355755"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C +Total Standard Deviation in ln(k): 2.4840384239355755""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C +Total Standard Deviation in ln(k): 2.4840384239355755 +""", +) + +entry( + index = 3078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(4.09076e-08,'m^3/(mol*s)'), n=4.30161, w0=(411,'kJ/mol'), E0=(79.0349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15214111410075545, var=2.256058276794788, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 3.3934124137111836"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.3934124137111836""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.3934124137111836 +""", +) + +entry( + index = 3079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.05059e-08,'m^3/(mol*s)'), n=4.32615, w0=(411,'kJ/mol'), E0=(68.7493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012062618518282366, var=6.147138840753214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 5.000732807053361"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 5.000732807053361""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Ext-10R!H-R_N-11R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 5.000732807053361 +""", +) + +entry( + index = 3080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.35286e-05,'m^3/(mol*s)'), n=3.28176, w0=(411,'kJ/mol'), E0=(-29.6987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2183861996171223, var=48.81787490277738, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.555750838238904"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.555750838238904""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.555750838238904 +""", +) + +entry( + index = 3081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(0.00129944,'m^3/(mol*s)'), n=2.682, w0=(411,'kJ/mol'), E0=(19.1383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004024449974497742, var=35.184514492229724, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.901505732673762"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.901505732673762""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_Sp-9C=1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.901505732673762 +""", +) + +entry( + index = 3082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C", + kinetics = ArrheniusBM(A=(2.983,'m^3/(mol*s)'), n=1.30533, w0=(411,'kJ/mol'), E0=(60.0566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23951121201695522, var=11.923722033051877, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C + Total Standard Deviation in ln(k): 7.524286113302071"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C +Total Standard Deviation in ln(k): 7.524286113302071""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C +Total Standard Deviation in ln(k): 7.524286113302071 +""", +) + +entry( + index = 3083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing", + kinetics = ArrheniusBM(A=(3.09063e-15,'m^3/(mol*s)'), n=5.57934, w0=(411,'kJ/mol'), E0=(27.5443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6016732830162501, var=7.8617005630794194, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing + Total Standard Deviation in ln(k): 7.132763315558929"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing +Total Standard Deviation in ln(k): 7.132763315558929""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing +Total Standard Deviation in ln(k): 7.132763315558929 +""", +) + +entry( + index = 3084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.16696e-12,'m^3/(mol*s)'), n=4.49237, w0=(411,'kJ/mol'), E0=(16.9503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4719586974242603, var=14.10197924671513, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.714127741163464"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.714127741163464""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.714127741163464 +""", +) + +entry( + index = 3085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.16247e-12,'m^3/(mol*s)'), n=4.72983, w0=(411,'kJ/mol'), E0=(19.7786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.547511575666452, var=44.7641791768818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.788545347350977"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.788545347350977""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.788545347350977 +""", +) + +entry( + index = 3086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(5.57129e-13,'m^3/(mol*s)'), n=4.75437, w0=(411,'kJ/mol'), E0=(8.78153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3857334384426317, var=33.52986927999806, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 12.577594329201435"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.577594329201435""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Ext-1C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.577594329201435 +""", +) + +entry( + index = 3087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(6.44999e-11,'m^3/(mol*s)'), n=4.52039, w0=(411,'kJ/mol'), E0=(59.2045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3240366474330442, var=2.3749259120116504, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 3.903618487739757"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.903618487739757""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.903618487739757 +""", +) + +entry( + index = 3088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.66091e-11,'m^3/(mol*s)'), n=4.54493, w0=(411,'kJ/mol'), E0=(54.2274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20364869078224357, var=2.038315704530884, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 3.3738322635871763"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.3738322635871763""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_9C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.3738322635871763 +""", +) + +entry( + index = 3089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing", + kinetics = ArrheniusBM(A=(38.5001,'m^3/(mol*s)'), n=0.990287, w0=(411,'kJ/mol'), E0=(61.8971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30822742896597327, var=13.076234745262205, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing + Total Standard Deviation in ln(k): 8.023778683783458"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing +Total Standard Deviation in ln(k): 8.023778683783458""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing +Total Standard Deviation in ln(k): 8.023778683783458 +""", +) + +entry( + index = 3090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(62722.4,'m^3/(mol*s)'), n=-0.0126235, w0=(411,'kJ/mol'), E0=(61.117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4905932309964823, var=12.40080031927735, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.292274791610776"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.292274791610776""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.292274791610776 +""", +) + +entry( + index = 3091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R", + kinetics = ArrheniusBM(A=(17.4033,'m^3/(mol*s)'), n=0.928579, w0=(411,'kJ/mol'), E0=(53.3863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3610898325126741, var=11.103100399062388, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R + Total Standard Deviation in ln(k): 7.5873018060350566"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R +Total Standard Deviation in ln(k): 7.5873018060350566""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R +Total Standard Deviation in ln(k): 7.5873018060350566 +""", +) + +entry( + index = 3092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.04251e-14,'m^3/(mol*s)'), n=5.06936, w0=(411,'kJ/mol'), E0=(3.55922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030577591768408432, var=2.673892887921873, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.354979407255926"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.354979407255926""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.354979407255926 +""", +) + +entry( + index = 3093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C", + kinetics = ArrheniusBM(A=(2.22562e-11,'m^3/(mol*s)'), n=4.05162, w0=(411,'kJ/mol'), E0=(12.393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06923300931510935, var=0.1858998251680459, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C + Total Standard Deviation in ln(k): 1.0383159055117714"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C +Total Standard Deviation in ln(k): 1.0383159055117714""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C +Total Standard Deviation in ln(k): 1.0383159055117714 +""", +) + +entry( + index = 3094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.92e-12,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(15.8992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.716849298982056e-15, var=4.797322009633434e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 6.078579677845786e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.078579677845786e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.078579677845786e-14 +""", +) + +entry( + index = 3095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(4.94304e-12,'m^3/(mol*s)'), n=4.16655, w0=(411,'kJ/mol'), E0=(1.40855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.024265676764284826, var=0.864026222943134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 1.9244306514614897"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 1.9244306514614897""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_Sp-12R!H=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 1.9244306514614897 +""", +) + +entry( + index = 3096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C", + kinetics = ArrheniusBM(A=(2.74407e-15,'m^3/(mol*s)'), n=5.46665, w0=(411,'kJ/mol'), E0=(-1.45525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.280242553666149, var=0.33532689288265816, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C + Total Standard Deviation in ln(k): 1.865017317714263"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C +Total Standard Deviation in ln(k): 1.865017317714263""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C +Total Standard Deviation in ln(k): 1.865017317714263 +""", +) + +entry( + index = 3097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(8.28974e-12,'m^3/(mol*s)'), n=4.31545, w0=(411,'kJ/mol'), E0=(3.81377,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14047155525406063, var=0.9020856521884865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 2.257004691293085"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 2.257004691293085""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 2.257004691293085 +""", +) + +entry( + index = 3098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(8.1e-11,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(17.9912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.605027718682482e-15, var=5.1473790363253995e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 6.459121056139524e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.459121056139524e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Ext-10R!H-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.459121056139524e-14 +""", +) + +entry( + index = 3099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C", + kinetics = ArrheniusBM(A=(4.21532e+07,'m^3/(mol*s)'), n=-0.886058, w0=(411,'kJ/mol'), E0=(76.0808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6452353955707504, var=26.312970150118613, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C + Total Standard Deviation in ln(k): 11.904717513329173"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C +Total Standard Deviation in ln(k): 11.904717513329173""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C +Total Standard Deviation in ln(k): 11.904717513329173 +""", +) + +entry( + index = 3100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C", + kinetics = ArrheniusBM(A=(8.02744e-11,'m^3/(mol*s)'), n=4.04038, w0=(411,'kJ/mol'), E0=(51.748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13474167960585293, var=24.361939323998335, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C + Total Standard Deviation in ln(k): 10.233481303687292"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C +Total Standard Deviation in ln(k): 10.233481303687292""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C +Total Standard Deviation in ln(k): 10.233481303687292 +""", +) + +entry( + index = 3101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(9.96605e-11,'m^3/(mol*s)'), n=4.08586, w0=(411,'kJ/mol'), E0=(53.8971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09004810525749612, var=55.91200938459517, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 15.216524430403966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.216524430403966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.216524430403966 +""", +) + +entry( + index = 3102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.55566e-11,'m^3/(mol*s)'), n=4.11041, w0=(411,'kJ/mol'), E0=(48.6203,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18363433790906156, var=107.66785395033916, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 21.26314976112827"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 21.26314976112827""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_12R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 21.26314976112827 +""", +) + +entry( + index = 3103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C", + kinetics = ArrheniusBM(A=(0.985708,'m^3/(mol*s)'), n=1.45101, w0=(411,'kJ/mol'), E0=(33.134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5751501672755761, var=6.735273736094588, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C + Total Standard Deviation in ln(k): 6.647870774075619"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C +Total Standard Deviation in ln(k): 6.647870774075619""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C +Total Standard Deviation in ln(k): 6.647870774075619 +""", +) + +entry( + index = 3104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(0.0704213,'m^3/(mol*s)'), n=1.81217, w0=(411,'kJ/mol'), E0=(-0.957146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5289726425702653, var=12.361147315426596, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 8.377409444335234"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.377409444335234""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.377409444335234 +""", +) + +entry( + index = 3105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.22403e-06,'m^3/(mol*s)'), n=3.11035, w0=(411,'kJ/mol'), E0=(12.1383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6366338443892182, var=20.797865692342665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 10.742112102005638"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 10.742112102005638""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_Sp-12R!H=9C_N-12R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 10.742112102005638 +""", +) + +entry( + index = 3106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C", + kinetics = ArrheniusBM(A=(1.79386e-08,'m^3/(mol*s)'), n=3.74839, w0=(411,'kJ/mol'), E0=(42.4555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03707850559225311, var=15.153799301082618, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C + Total Standard Deviation in ln(k): 7.897170955501252"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C +Total Standard Deviation in ln(k): 7.897170955501252""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C +Total Standard Deviation in ln(k): 7.897170955501252 +""", +) + +entry( + index = 3107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(8.43009e-11,'m^3/(mol*s)'), n=4.37454, w0=(411,'kJ/mol'), E0=(21.1109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18775611748608043, var=42.362839031324775, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 13.519916390171192"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 13.519916390171192""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 13.519916390171192 +""", +) + +entry( + index = 3108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.33434e-10,'m^3/(mol*s)'), n=4.39908, w0=(411,'kJ/mol'), E0=(52.0766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04248604755689259, var=20.066409006073886, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 9.087069009565644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 9.087069009565644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Ext-9C-R_N-Sp-12R!H=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 9.087069009565644 +""", +) + +entry( + index = 3109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.70515e-07,'m^3/(mol*s)'), n=3.70529, w0=(411,'kJ/mol'), E0=(16.3056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40693447704392155, var=54.422156628812154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 15.811654607073878"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.811654607073878""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.811654607073878 +""", +) + +entry( + index = 3110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.04994e-05,'m^3/(mol*s)'), n=3.10553, w0=(411,'kJ/mol'), E0=(13.2415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6254485736960296, var=39.93987954114333, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.241004760234802"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.241004760234802""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-1C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.241004760234802 +""", +) + +entry( + index = 3111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.72196e-10,'m^3/(mol*s)'), n=4.2762, w0=(411,'kJ/mol'), E0=(44.2367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12208536543878787, var=15.672149170102058, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R + Total Standard Deviation in ln(k): 8.2431054717745"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R +Total Standard Deviation in ln(k): 8.2431054717745""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R +Total Standard Deviation in ln(k): 8.2431054717745 +""", +) + +entry( + index = 3112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C", + kinetics = ArrheniusBM(A=(1.36842e-09,'m^3/(mol*s)'), n=4.03663, w0=(411,'kJ/mol'), E0=(50.4569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09667171034462549, var=17.787389211008314, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C + Total Standard Deviation in ln(k): 8.697883650702249"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C +Total Standard Deviation in ln(k): 8.697883650702249""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C +Total Standard Deviation in ln(k): 8.697883650702249 +""", +) + +entry( + index = 3113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C", + kinetics = ArrheniusBM(A=(4.24234e-11,'m^3/(mol*s)'), n=4.33869, w0=(411,'kJ/mol'), E0=(60.8314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03851721123693612, var=13.298463147875829, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C + Total Standard Deviation in ln(k): 7.407455934791592"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C +Total Standard Deviation in ln(k): 7.407455934791592""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C +Total Standard Deviation in ln(k): 7.407455934791592 +""", +) + +entry( + index = 3114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.31857e-11,'m^3/(mol*s)'), n=4.25153, w0=(411,'kJ/mol'), E0=(61.4573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0833605551388965, var=29.68438236251398, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.131922086858223"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.131922086858223""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.131922086858223 +""", +) + +entry( + index = 3115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(6.42642e-11,'m^3/(mol*s)'), n=4.19682, w0=(411,'kJ/mol'), E0=(65.046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.046603150132505974, var=70.23066653088578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 16.917522840367525"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 16.917522840367525""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 16.917522840367525 +""", +) + +entry( + index = 3116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.65468e-11,'m^3/(mol*s)'), n=4.22136, w0=(411,'kJ/mol'), E0=(58.5755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11317715791262828, var=128.06603038556176, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 22.97120238180875"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 22.97120238180875""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 22.97120238180875 +""", +) + +entry( + index = 3117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(9.00676e-11,'m^3/(mol*s)'), n=4.47961, w0=(411,'kJ/mol'), E0=(62.2321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22292982048594007, var=2.174104423888119, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 3.516075895887195"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.516075895887195""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.516075895887195 +""", +) + +entry( + index = 3118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.31477e-11,'m^3/(mol*s)'), n=4.50415, w0=(411,'kJ/mol'), E0=(57.0556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11102565511694064, var=19.191519408064732, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 9.061327704223492"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 9.061327704223492""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_Sp-11C=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 9.061327704223492 +""", +) + +entry( + index = 3119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C", + kinetics = ArrheniusBM(A=(1.07363e-18,'m^3/(mol*s)'), n=6.77562, w0=(411,'kJ/mol'), E0=(10.925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42467599788487603, var=10.156992983662603, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C + Total Standard Deviation in ln(k): 7.4561233552480175"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C +Total Standard Deviation in ln(k): 7.4561233552480175""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C +Total Standard Deviation in ln(k): 7.4561233552480175 +""", +) + +entry( + index = 3120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(7.22267e-18,'m^3/(mol*s)'), n=6.49171, w0=(411,'kJ/mol'), E0=(-1.71574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5814474664947552, var=10.836352491310638, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R + Total Standard Deviation in ln(k): 8.060233610064037"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R +Total Standard Deviation in ln(k): 8.060233610064037""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R +Total Standard Deviation in ln(k): 8.060233610064037 +""", +) + +entry( + index = 3121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.39559e-12,'m^3/(mol*s)'), n=4.71253, w0=(411,'kJ/mol'), E0=(13.331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6037978457025268, var=32.3704785858165, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 12.92303227645673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.92303227645673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.92303227645673 +""", +) + +entry( + index = 3122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.31431e-11,'m^3/(mol*s)'), n=4.73706, w0=(411,'kJ/mol'), E0=(26.7952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29940415867892245, var=24.080457175578733, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 10.58987613473705"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 10.58987613473705""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Ext-10R!H-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 10.58987613473705 +""", +) + +entry( + index = 3123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.35948e-10,'m^3/(mol*s)'), n=4.34759, w0=(411,'kJ/mol'), E0=(30.1462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18847630030050944, var=51.472079061427536, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.856338782733927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.856338782733927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.856338782733927 +""", +) + +entry( + index = 3124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(5.30452e-10,'m^3/(mol*s)'), n=4.37213, w0=(411,'kJ/mol'), E0=(60.3046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036367260153993726, var=9.647429134221412, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 6.318144503814135"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.318144503814135""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_11R!H->C_N-Sp-11C=9C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.318144503814135 +""", +) + +entry( + index = 3125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C", + kinetics = ArrheniusBM(A=(2.1094e-12,'m^3/(mol*s)'), n=4.75061, w0=(411,'kJ/mol'), E0=(23.7939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24826982920335672, var=15.769277994354777, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C + Total Standard Deviation in ln(k): 8.584706839244294"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C +Total Standard Deviation in ln(k): 8.584706839244294""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C +Total Standard Deviation in ln(k): 8.584706839244294 +""", +) + +entry( + index = 3126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.03227e-11,'m^3/(mol*s)'), n=4.45185, w0=(411,'kJ/mol'), E0=(24.2379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18502433092580775, var=52.33503891257064, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.967732246179864"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.967732246179864""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.967732246179864 +""", +) + +entry( + index = 3127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.46684e-11,'m^3/(mol*s)'), n=4.4764, w0=(411,'kJ/mol'), E0=(28.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07712833194587032, var=39.36175464612861, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 12.771286546050147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.771286546050147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Ext-9C-R_N-11R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 12.771286546050147 +""", +) + +entry( + index = 3128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(5.23225e-09,'m^3/(mol*s)'), n=4.21451, w0=(411,'kJ/mol'), E0=(36.7181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0021845470131884276, var=43.68211037819153, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 13.255272719302194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 13.255272719302194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 13.255272719302194 +""", +) + +entry( + index = 3129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.34654e-09,'m^3/(mol*s)'), n=4.23905, w0=(411,'kJ/mol'), E0=(24.5929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1700369300254676, var=31.537258726668128, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.685428476536325"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.685428476536325""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H->S_N-Sp-9C=1C_N-9C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.685428476536325 +""", +) + +entry( + index = 3130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(713195,'m^3/(mol*s)'), n=0.0790058, w0=(411,'kJ/mol'), E0=(100.374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12503499858433034, var=12.892448006577608, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 7.512371124694523"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 7.512371124694523""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 7.512371124694523 +""", +) + +entry( + index = 3131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing", + kinetics = ArrheniusBM(A=(2.42391e-11,'m^3/(mol*s)'), n=4.67292, w0=(411,'kJ/mol'), E0=(70.9415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46738761989642663, var=1.270001864308121, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing + Total Standard Deviation in ln(k): 3.4335641068678178"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing +Total Standard Deviation in ln(k): 3.4335641068678178""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing +Total Standard Deviation in ln(k): 3.4335641068678178 +""", +) + +entry( + index = 3132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.91821e-11,'m^3/(mol*s)'), n=4.77417, w0=(411,'kJ/mol'), E0=(72.3348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5413153566064376, var=6.077271426153753, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 6.302186301857488"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.302186301857488""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.302186301857488 +""", +) + +entry( + index = 3133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(4.94003e-12,'m^3/(mol*s)'), n=4.79871, w0=(411,'kJ/mol'), E0=(67.5797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41566074652687307, var=0.1841396564581376, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 1.9046355652035476"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 1.9046355652035476""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_9C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 1.9046355652035476 +""", +) + +entry( + index = 3134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing", + kinetics = ArrheniusBM(A=(6.33623e+06,'m^3/(mol*s)'), n=-0.172022, w0=(411,'kJ/mol'), E0=(100.789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1716974770207425, var=14.19410043870874, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing + Total Standard Deviation in ln(k): 7.98425185679464"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing +Total Standard Deviation in ln(k): 7.98425185679464""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing +Total Standard Deviation in ln(k): 7.98425185679464 +""", +) + +entry( + index = 3135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C", + kinetics = ArrheniusBM(A=(0.232765,'m^3/(mol*s)'), n=1.86379, w0=(411,'kJ/mol'), E0=(86.802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01413035489716417, var=12.198751886196987, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C + Total Standard Deviation in ln(k): 7.037383808103096"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C +Total Standard Deviation in ln(k): 7.037383808103096""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C +Total Standard Deviation in ln(k): 7.037383808103096 +""", +) + +entry( + index = 3136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R", + kinetics = ArrheniusBM(A=(6.08487e-10,'m^3/(mol*s)'), n=4.24876, w0=(411,'kJ/mol'), E0=(71.2327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25921726030036046, var=6.462050098137382, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R + Total Standard Deviation in ln(k): 5.747449029386993"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R +Total Standard Deviation in ln(k): 5.747449029386993""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R +Total Standard Deviation in ln(k): 5.747449029386993 +""", +) + +entry( + index = 3137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.38215e-09,'m^3/(mol*s)'), n=4.20741, w0=(411,'kJ/mol'), E0=(76.3037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2761404746915652, var=3.3900002658091437, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 4.384929162856185"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 4.384929162856185""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 4.384929162856185 +""", +) + +entry( + index = 3138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.16953e-09,'m^3/(mol*s)'), n=4.24383, w0=(411,'kJ/mol'), E0=(76.8692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34335087564843136, var=2.5724320280870354, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 4.0780457467831015"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 4.0780457467831015""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 4.0780457467831015 +""", +) + +entry( + index = 3139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(2.53872e-11,'m^3/(mol*s)'), n=4.64782, w0=(411,'kJ/mol'), E0=(74.8931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38124975293216185, var=1.2379769694241065, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_Sp-10C=9C + Total Standard Deviation in ln(k): 3.1884706766274684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_Sp-10C=9C +Total Standard Deviation in ln(k): 3.1884706766274684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_Sp-10C=9C +Total Standard Deviation in ln(k): 3.1884706766274684 +""", +) + +entry( + index = 3140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(1.49543e-10,'m^3/(mol*s)'), n=4.57236, w0=(411,'kJ/mol'), E0=(72.3612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3829099702189263, var=6.353092116363765, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 6.015088463263602"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 6.015088463263602""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_Sp-7R!H=4C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 6.015088463263602 +""", +) + +entry( + index = 3141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.51435e-09,'m^3/(mol*s)'), n=4.18042, w0=(411,'kJ/mol'), E0=(75.6623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21501915172857272, var=8.213877802028719, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 6.285792507387702"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.285792507387702""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.285792507387702 +""", +) + +entry( + index = 3142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(6.53485e-12,'m^3/(mol*s)'), n=4.67236, w0=(411,'kJ/mol'), E0=(69.7003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2629624932259749, var=16.72676929216296, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_Sp-10C=9C + Total Standard Deviation in ln(k): 8.859750115297443"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_Sp-10C=9C +Total Standard Deviation in ln(k): 8.859750115297443""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_Sp-10C=9C +Total Standard Deviation in ln(k): 8.859750115297443 +""", +) + +entry( + index = 3143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(2.36921e-10,'m^3/(mol*s)'), n=4.5969, w0=(411,'kJ/mol'), E0=(73.7275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2534976306077419, var=11.819899379124404, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 7.529224062266026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 7.529224062266026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_10R!H->C_N-Sp-7R!H=4C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 7.529224062266026 +""", +) + +entry( + index = 3144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.04889e-11,'m^3/(mol*s)'), n=4.54923, w0=(411,'kJ/mol'), E0=(58.9623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27823838371342435, var=24.82541504984166, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 10.687705827551907"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 10.687705827551907""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 10.687705827551907 +""", +) + +entry( + index = 3145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.77852e-11,'m^3/(mol*s)'), n=4.54406, w0=(411,'kJ/mol'), E0=(61.1427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3194378413955563, var=107.50067117483134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 21.58820820937614"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 21.58820820937614""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 21.58820820937614 +""", +) + +entry( + index = 3146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.34787e-11,'m^3/(mol*s)'), n=4.56861, w0=(411,'kJ/mol'), E0=(56.698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1872367573526691, var=56.011187946969876, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 15.474006252718114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.474006252718114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Ext-9C-R_N-10R!H->C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 15.474006252718114 +""", +) + +entry( + index = 3147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.23491e-09,'m^3/(mol*s)'), n=4.45547, w0=(411,'kJ/mol'), E0=(48.8315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3501223342651535, var=63.38991155437355, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 16.8409603239743"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 16.8409603239743""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 16.8409603239743 +""", +) + +entry( + index = 3148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(5.74385e-10,'m^3/(mol*s)'), n=4.48001, w0=(411,'kJ/mol'), E0=(37.8694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18935616898458968, var=50.592240315789695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 14.73509352640628"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.73509352640628""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_Sp-9C-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 14.73509352640628 +""", +) + +entry( + index = 3149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C", + kinetics = ArrheniusBM(A=(3.23175e+09,'m^3/(mol*s)'), n=-0.758999, w0=(411,'kJ/mol'), E0=(97.9289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20237046892923055, var=13.056740440957709, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C + Total Standard Deviation in ln(k): 7.752400680128763"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C +Total Standard Deviation in ln(k): 7.752400680128763""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C +Total Standard Deviation in ln(k): 7.752400680128763 +""", +) + +entry( + index = 3150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.42438e-09,'m^3/(mol*s)'), n=4.36787, w0=(411,'kJ/mol'), E0=(59.4435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2842820498764275, var=1.0222239717739923, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R + Total Standard Deviation in ln(k): 2.74116576044717"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R +Total Standard Deviation in ln(k): 2.74116576044717""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R +Total Standard Deviation in ln(k): 2.74116576044717 +""", +) + +entry( + index = 3151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(6.81552e-10,'m^3/(mol*s)'), n=4.53181, w0=(411,'kJ/mol'), E0=(60.2644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3610001827394652, var=1.162963571506646, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 3.068957754540224"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.068957754540224""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 3.068957754540224 +""", +) + +entry( + index = 3152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.75258e-10,'m^3/(mol*s)'), n=4.55635, w0=(411,'kJ/mol'), E0=(55.5179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23607956548382297, var=3.537393014002606, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 4.363662143114976"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 4.363662143114976""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Ext-9C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 4.363662143114976 +""", +) + +entry( + index = 3153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(9.73443e-08,'m^3/(mol*s)'), n=4.17887, w0=(411,'kJ/mol'), E0=(29.9913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4046135801992565, var=84.46814610380785, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 19.441446237287693"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 19.441446237287693""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 19.441446237287693 +""", +) + +entry( + index = 3154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.11872e-06,'m^3/(mol*s)'), n=3.60347, w0=(411,'kJ/mol'), E0=(-1.69429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24532531240349947, var=68.78475436747897, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 17.24298132394961"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.24298132394961""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_9R!H->C_N-9C-inRing_N-Sp-9C-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.24298132394961 +""", +) + +entry( + index = 3155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.31687e-11,'m^3/(mol*s)'), n=4.89181, w0=(411,'kJ/mol'), E0=(44.6824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4387829089354061, var=9.254690172693277, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 7.201178900829303"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 7.201178900829303""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 7.201178900829303 +""", +) + +entry( + index = 3156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C", + kinetics = ArrheniusBM(A=(2.28167e-10,'m^3/(mol*s)'), n=4.58503, w0=(411,'kJ/mol'), E0=(34.2943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5633034660078003, var=26.280023625215748, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C + Total Standard Deviation in ln(k): 11.692418366950196"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C +Total Standard Deviation in ln(k): 11.692418366950196""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C +Total Standard Deviation in ln(k): 11.692418366950196 +""", +) + +entry( + index = 3157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.7339e-10,'m^3/(mol*s)'), n=4.69133, w0=(411,'kJ/mol'), E0=(38.6357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6579017501140075, var=85.23062278440963, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 20.160820435236545"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 20.160820435236545""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 20.160820435236545 +""", +) + +entry( + index = 3158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(4.46478e-11,'m^3/(mol*s)'), n=4.71587, w0=(411,'kJ/mol'), E0=(27.432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49347496133255686, var=69.56231980036844, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 17.96018500253986"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.96018500253986""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_Sp-9S-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.96018500253986 +""", +) + +entry( + index = 3159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C", + kinetics = ArrheniusBM(A=(6.64258e-09,'m^3/(mol*s)'), n=4.41661, w0=(411,'kJ/mol'), E0=(62.0487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18266249795900266, var=3.599763062625545, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C + Total Standard Deviation in ln(k): 4.26254319510492"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C +Total Standard Deviation in ln(k): 4.26254319510492""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C +Total Standard Deviation in ln(k): 4.26254319510492 +""", +) + +entry( + index = 3160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.26864e-08,'m^3/(mol*s)'), n=4.40837, w0=(411,'kJ/mol'), E0=(67.1847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23360287263173077, var=14.949194825313459, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 8.338087409887404"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.338087409887404""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.338087409887404 +""", +) + +entry( + index = 3161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.25946e-09,'m^3/(mol*s)'), n=4.43292, w0=(411,'kJ/mol'), E0=(56.9221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1071555171092998, var=8.439276716881315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 6.093077221468571"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.093077221468571""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Ext-1C-R_N-9R!H->C_N-Sp-9S-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 6.093077221468571 +""", +) + +entry( + index = 3162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(1.46999e-09,'m^3/(mol*s)'), n=4.63749, w0=(411,'kJ/mol'), E0=(77.4771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5062549275593244, var=14.467021860318322, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 8.897115119495377"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.897115119495377""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 8.897115119495377 +""", +) + +entry( + index = 3163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.77213e-10,'m^3/(mol*s)'), n=4.66203, w0=(411,'kJ/mol'), E0=(73.4631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3686068697826204, var=0.7153119947288424, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 2.6216750437180627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 2.6216750437180627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_Ext-5C-R_N-1C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 2.6216750437180627 +""", +) + +entry( + index = 3164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing", + kinetics = ArrheniusBM(A=(1.03713e+08,'m^3/(mol*s)'), n=-0.633069, w0=(411,'kJ/mol'), E0=(80.6674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6455894389097674, var=12.698168816975643, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing + Total Standard Deviation in ln(k): 8.765855235804604"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing +Total Standard Deviation in ln(k): 8.765855235804604""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing +Total Standard Deviation in ln(k): 8.765855235804604 +""", +) + +entry( + index = 3165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.63766,'m^3/(mol*s)'), n=1.34145, w0=(411,'kJ/mol'), E0=(58.4563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5181644335080058, var=3.7205681934557924, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.168808958918943"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.168808958918943""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.168808958918943 +""", +) + +entry( + index = 3166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(0.565315,'m^3/(mol*s)'), n=1.58506, w0=(411,'kJ/mol'), E0=(50.1686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.41479102028354875, var=3.0438180605009566, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C + Total Standard Deviation in ln(k): 4.539757841119264"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C +Total Standard Deviation in ln(k): 4.539757841119264""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C +Total Standard Deviation in ln(k): 4.539757841119264 +""", +) + +entry( + index = 3167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(4.51e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(24.6049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.13e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(23.6702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(3.14e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(31.6646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(1.64508,'m^3/(mol*s)'), n=1.37422, w0=(411,'kJ/mol'), E0=(61.0776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4957193616779278, var=4.49210740667131, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C + Total Standard Deviation in ln(k): 5.4944802879412675"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 5.4944802879412675""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 5.4944802879412675 +""", +) + +entry( + index = 3171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.565e-07,'m^3/(mol*s)'), n=3.38941, w0=(411,'kJ/mol'), E0=(51.1634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20664941804463957, var=6.210687836976641, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 5.515270378438205"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 5.515270378438205""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 5.515270378438205 +""", +) + +entry( + index = 3172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_4C-inRing", + kinetics = ArrheniusBM(A=(5.6e-11,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(39.8656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(5.05e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(46.5538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing", + kinetics = ArrheniusBM(A=(0.00276061,'m^3/(mol*s)'), n=2.03144, w0=(411,'kJ/mol'), E0=(50.9423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6748746781728775, var=3.140715036957481, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing + Total Standard Deviation in ln(k): 5.248469079410237"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing +Total Standard Deviation in ln(k): 5.248469079410237""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing +Total Standard Deviation in ln(k): 5.248469079410237 +""", +) + +entry( + index = 3175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(5.22554e-10,'m^3/(mol*s)'), n=4.03135, w0=(411,'kJ/mol'), E0=(16.9265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(8.03e-11,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(33.9689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_4C-inRing_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(231.525,'m^3/(mol*s)'), n=0.894335, w0=(411,'kJ/mol'), E0=(63.9424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17190431630542058, var=10.081288532944715, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing + Total Standard Deviation in ln(k): 6.79716374154499"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.79716374154499""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.79716374154499 +""", +) + +entry( + index = 3178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.000234545,'m^3/(mol*s)'), n=2.68559, w0=(411,'kJ/mol'), E0=(14.5084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(7.24e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(40.5178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-7R!H#4C_N-4C-inRing_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00249638,'m^3/(mol*s)'), n=2.20944, w0=(411,'kJ/mol'), E0=(56.6218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6394904953805124, var=8.4542330607836, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 7.4357606036248844"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.4357606036248844""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.4357606036248844 +""", +) + +entry( + index = 3181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_4C-inRing", + kinetics = ArrheniusBM(A=(5.52e-11,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(41.5829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.00081e-08,'m^3/(mol*s)'), n=3.83714, w0=(411,'kJ/mol'), E0=(32.7462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33294923949000793, var=0.9311930680248657, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing + Total Standard Deviation in ln(k): 2.7710920590447574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.7710920590447574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.7710920590447574 +""", +) + +entry( + index = 3183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(9.46139e-10,'m^3/(mol*s)'), n=4.16014, w0=(411,'kJ/mol'), E0=(22.0593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_Sp-7R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(6.26729e-10,'m^3/(mol*s)'), n=4.15241, w0=(411,'kJ/mol'), E0=(20.6437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_N-Sp-7R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Ext-8R!H-R_Ext-9R!H-R_Ext-1C-R_N-4C-inRing_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(2.87059e-07,'m^3/(mol*s)'), n=3.43082, w0=(411,'kJ/mol'), E0=(45.7713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4683143474740904, var=4.023189154996495, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 5.197744602241996"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.197744602241996""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.197744602241996 +""", +) + +entry( + index = 3186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(6.54e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(30.8837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_Sp-7R!H#4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_Sp-7R!H#4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_Sp-7R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_Sp-7R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C", + kinetics = ArrheniusBM(A=(1.39748e-07,'m^3/(mol*s)'), n=3.49434, w0=(411,'kJ/mol'), E0=(48.55,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.367117743704242, var=5.742330253489198, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C + Total Standard Deviation in ln(k): 5.726385083425221"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 5.726385083425221""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C +Total Standard Deviation in ln(k): 5.726385083425221 +""", +) + +entry( + index = 3188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.16e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(38.2987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.05e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(45.2105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_Sp-8R!H-1C_N-Sp-7R!H#4C_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(95396.7,'m^3/(mol*s)'), n=0.654154, w0=(411,'kJ/mol'), E0=(73.0473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4630789149105096, var=29.406282240833, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 12.034703957974955"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 12.034703957974955""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 12.034703957974955 +""", +) + +entry( + index = 3191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(3.56371e+08,'m^3/(mol*s)'), n=-0.238194, w0=(411,'kJ/mol'), E0=(86.8041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3045907173206842, var=70.56893955071719, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C + Total Standard Deviation in ln(k): 17.606144678015202"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.606144678015202""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C +Total Standard Deviation in ln(k): 17.606144678015202 +""", +) + +entry( + index = 3192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_7R!H->C", + kinetics = ArrheniusBM(A=(0.000608643,'m^3/(mol*s)'), n=3.24332, w0=(411,'kJ/mol'), E0=(29.7579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21431413902558366, var=143.5773965451454, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_7R!H->C + Total Standard Deviation in ln(k): 24.559972395447954"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_7R!H->C +Total Standard Deviation in ln(k): 24.559972395447954""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_7R!H->C +Total Standard Deviation in ln(k): 24.559972395447954 +""", +) + +entry( + index = 3193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.17804e-09,'m^3/(mol*s)'), n=4.66033, w0=(411,'kJ/mol'), E0=(49.7776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18967278230240567, var=205.1886752588582, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_N-7R!H->C + Total Standard Deviation in ln(k): 29.193208709492087"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_N-7R!H->C +Total Standard Deviation in ln(k): 29.193208709492087""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_Sp-7R!H=4C_N-7R!H->C +Total Standard Deviation in ln(k): 29.193208709492087 +""", +) + +entry( + index = 3194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(2.79184,'m^3/(mol*s)'), n=1.82191, w0=(411,'kJ/mol'), E0=(54.6478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.44864147997116205, var=24.304682988783163, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.010539708161712"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.010539708161712""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.010539708161712 +""", +) + +entry( + index = 3195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.10702e-07,'m^3/(mol*s)'), n=3.82706, w0=(411,'kJ/mol'), E0=(24.4664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5576766999697091, var=61.9318087027555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_4C-inRing + Total Standard Deviation in ln(k): 17.17781432808179"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_4C-inRing +Total Standard Deviation in ln(k): 17.17781432808179""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_4C-inRing +Total Standard Deviation in ln(k): 17.17781432808179 +""", +) + +entry( + index = 3196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.000408299,'m^3/(mol*s)'), n=3.03624, w0=(411,'kJ/mol'), E0=(29.4747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21131932987672092, var=63.78865177617332, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_N-4C-inRing + Total Standard Deviation in ln(k): 16.542330736038"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_N-4C-inRing +Total Standard Deviation in ln(k): 16.542330736038""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_1C-inRing_Ext-1C-R_N-Sp-8R!H-1C_N-Sp-7R!H=4C_N-4C-inRing +Total Standard Deviation in ln(k): 16.542330736038 +""", +) + +entry( + index = 3197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(5.39323e-07,'m^3/(mol*s)'), n=3.52464, w0=(411,'kJ/mol'), E0=(43.4699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06192566329775309, var=9.829676404828486, Tref=1000.0, N=356, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing',), comment="""BM rule fitted to 356 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing + Total Standard Deviation in ln(k): 6.440900633479658"""), + rank = 11, + shortDesc = """BM rule fitted to 356 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing +Total Standard Deviation in ln(k): 6.440900633479658""", + longDesc = +""" +BM rule fitted to 356 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing +Total Standard Deviation in ln(k): 6.440900633479658 +""", +) + +entry( + index = 3198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O", + kinetics = ArrheniusBM(A=(7.25709e-05,'m^3/(mol*s)'), n=2.9224, w0=(411,'kJ/mol'), E0=(41.4623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01238835010193052, var=5.690406220662078, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O + Total Standard Deviation in ln(k): 4.813336302694305"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O +Total Standard Deviation in ln(k): 4.813336302694305""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O +Total Standard Deviation in ln(k): 4.813336302694305 +""", +) + +entry( + index = 3199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000135967,'m^3/(mol*s)'), n=2.81123, w0=(411,'kJ/mol'), E0=(41.3621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002022860117989728, var=5.532768842369255, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 4.720588026382131"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 4.720588026382131""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 4.720588026382131 +""", +) + +entry( + index = 3200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.98933e-19,'m^3/(mol*s)'), n=6.76985, w0=(411,'kJ/mol'), E0=(5.45257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08631053332080185, var=0.14906920965828532, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 0.9908784643714056"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.9908784643714056""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.9908784643714056 +""", +) + +entry( + index = 3201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.0085e-13,'m^3/(mol*s)'), n=5.1705, w0=(411,'kJ/mol'), E0=(23.2095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18445638877487597, var=4.7407185810969926e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.4634720664310962"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4634720664310962""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4634720664310962 +""", +) + +entry( + index = 3202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(4.35046e-17,'m^3/(mol*s)'), n=6.35889, w0=(411,'kJ/mol'), E0=(1.83362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26049998621691767, var=2.948645124204761, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 4.096977350795478"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 4.096977350795478""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 4.096977350795478 +""", +) + +entry( + index = 3203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.71944e-12,'m^3/(mol*s)'), n=4.82224, w0=(411,'kJ/mol'), E0=(23.5666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17470725636416082, var=0.002794390847549166, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.5449372576249605"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5449372576249605""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5449372576249605 +""", +) + +entry( + index = 3204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.44e-11,'m^3/(mol*s)'), n=4.52, w0=(411,'kJ/mol'), E0=(18.9611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12374400626046463, var=5.780452647485632e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.310914588594137"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.310914588594137""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.310914588594137 +""", +) + +entry( + index = 3205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(1.48727e-07,'m^3/(mol*s)'), n=4.02932, w0=(411,'kJ/mol'), E0=(17.0408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45866830794668817, var=7.33614732202085e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 1.1524329345394229"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 1.1524329345394229""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_7R!H->O_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 1.1524329345394229 +""", +) + +entry( + index = 3206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O", + kinetics = ArrheniusBM(A=(1.28651e-05,'m^3/(mol*s)'), n=3.1224, w0=(411,'kJ/mol'), E0=(54.4945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0026510172588223844, var=12.754962398944649, Tref=1000.0, N=341, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O',), comment="""BM rule fitted to 341 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O + Total Standard Deviation in ln(k): 7.166389788533006"""), + rank = 11, + shortDesc = """BM rule fitted to 341 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O +Total Standard Deviation in ln(k): 7.166389788533006""", + longDesc = +""" +BM rule fitted to 341 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O +Total Standard Deviation in ln(k): 7.166389788533006 +""", +) + +entry( + index = 3207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R", + kinetics = ArrheniusBM(A=(5.58715e-06,'m^3/(mol*s)'), n=3.06312, w0=(411,'kJ/mol'), E0=(50.1784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1313220778408678, var=8.483394441835715, Tref=1000.0, N=86, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R',), comment="""BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R + Total Standard Deviation in ln(k): 6.168999933325013"""), + rank = 11, + shortDesc = """BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R +Total Standard Deviation in ln(k): 6.168999933325013""", + longDesc = +""" +BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R +Total Standard Deviation in ln(k): 6.168999933325013 +""", +) + +entry( + index = 3208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000109494,'m^3/(mol*s)'), n=2.59942, w0=(411,'kJ/mol'), E0=(51.3623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33610772774174635, var=8.167444248252236, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.573772190081256"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.573772190081256""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.573772190081256 +""", +) + +entry( + index = 3209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C", + kinetics = ArrheniusBM(A=(3.54763,'m^3/(mol*s)'), n=1.54538, w0=(411,'kJ/mol'), E0=(83.3137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42283696077534844, var=18.20973689359331, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C + Total Standard Deviation in ln(k): 9.617184018425192"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C +Total Standard Deviation in ln(k): 9.617184018425192""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C +Total Standard Deviation in ln(k): 9.617184018425192 +""", +) + +entry( + index = 3210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.8827e-09,'m^3/(mol*s)'), n=4.14198, w0=(411,'kJ/mol'), E0=(38.7225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08034300922352089, var=0.003935559884650059, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.32763198963661877"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.32763198963661877""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.32763198963661877 +""", +) + +entry( + index = 3211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C", + kinetics = ArrheniusBM(A=(7.30566e-06,'m^3/(mol*s)'), n=3.17047, w0=(411,'kJ/mol'), E0=(53.9266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25714391266316644, var=8.599328730292669, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C + Total Standard Deviation in ln(k): 6.524898077501124"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C +Total Standard Deviation in ln(k): 6.524898077501124""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C +Total Standard Deviation in ln(k): 6.524898077501124 +""", +) + +entry( + index = 3212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.29133e-13,'m^3/(mol*s)'), n=5.21878, w0=(411,'kJ/mol'), E0=(33.9252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14085366882482755, var=9.428327978331845, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.5095595252873295"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.5095595252873295""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.5095595252873295 +""", +) + +entry( + index = 3213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(3.11904e-12,'m^3/(mol*s)'), n=5.02451, w0=(411,'kJ/mol'), E0=(44.4115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12756286395072428, var=5.214770075534942, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 4.89849688422896"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 4.89849688422896""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 4.89849688422896 +""", +) + +entry( + index = 3214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R", + kinetics = ArrheniusBM(A=(5.89933e-21,'m^3/(mol*s)'), n=7.55128, w0=(411,'kJ/mol'), E0=(-6.75853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2271380260214671, var=4.419726197534424, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R + Total Standard Deviation in ln(k): 4.785282151397251"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R +Total Standard Deviation in ln(k): 4.785282151397251""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R +Total Standard Deviation in ln(k): 4.785282151397251 +""", +) + +entry( + index = 3215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C", + kinetics = ArrheniusBM(A=(8.4889e-09,'m^3/(mol*s)'), n=4.02987, w0=(411,'kJ/mol'), E0=(51.973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21496176235120484, var=2.3584140713761026, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C + Total Standard Deviation in ln(k): 3.6188024239568386"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C +Total Standard Deviation in ln(k): 3.6188024239568386""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C +Total Standard Deviation in ln(k): 3.6188024239568386 +""", +) + +entry( + index = 3216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_Sp-11C=10C", + kinetics = ArrheniusBM(A=(3.14634e-08,'m^3/(mol*s)'), n=3.88915, w0=(411,'kJ/mol'), E0=(51.1508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3645482105572142, var=0.08517131354073157, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_Sp-11C=10C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_Sp-11C=10C + Total Standard Deviation in ln(k): 1.5010146629831518"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_Sp-11C=10C +Total Standard Deviation in ln(k): 1.5010146629831518""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_Sp-11C=10C +Total Standard Deviation in ln(k): 1.5010146629831518 +""", +) + +entry( + index = 3217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_N-Sp-11C=10C", + kinetics = ArrheniusBM(A=(2.35665e-09,'m^3/(mol*s)'), n=4.16704, w0=(411,'kJ/mol'), E0=(52.8262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06838072162710203, var=14.223636475590999, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_N-Sp-11C=10C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_N-Sp-11C=10C + Total Standard Deviation in ln(k): 7.732516175198108"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_N-Sp-11C=10C +Total Standard Deviation in ln(k): 7.732516175198108""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_11R!H->C_N-Sp-11C=10C +Total Standard Deviation in ln(k): 7.732516175198108 +""", +) + +entry( + index = 3218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_N-11R!H->C", + kinetics = ArrheniusBM(A=(5.47599e-08,'m^3/(mol*s)'), n=3.91178, w0=(411,'kJ/mol'), E0=(76.5817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.353751462551303, var=25.210466256985598, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_N-11R!H->C + Total Standard Deviation in ln(k): 10.954602636003433"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_N-11R!H->C +Total Standard Deviation in ln(k): 10.954602636003433""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_10R!H->C_Ext-10C-R_N-11R!H->C +Total Standard Deviation in ln(k): 10.954602636003433 +""", +) + +entry( + index = 3219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.77395e-06,'m^3/(mol*s)'), n=3.11293, w0=(411,'kJ/mol'), E0=(12.483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.046570799973455174, var=146.2456535621591, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 24.36068816698422"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 24.36068816698422""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_9R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 24.36068816698422 +""", +) + +entry( + index = 3220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.78345e-07,'m^3/(mol*s)'), n=3.52027, w0=(411,'kJ/mol'), E0=(86.1215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27698145829674, var=28.663159114324746, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C + Total Standard Deviation in ln(k): 11.428881100299469"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C +Total Standard Deviation in ln(k): 11.428881100299469""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C +Total Standard Deviation in ln(k): 11.428881100299469 +""", +) + +entry( + index = 3221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.00289e-07,'m^3/(mol*s)'), n=3.52175, w0=(411,'kJ/mol'), E0=(86.7875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2819846168563188, var=36.93730291580992, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 12.89249535369675"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.89249535369675""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.89249535369675 +""", +) + +entry( + index = 3222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(9.35181e-06,'m^3/(mol*s)'), n=3.14549, w0=(411,'kJ/mol'), E0=(94.9263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29958353944517996, var=70.93710320017881, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 17.637436671516298"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 17.637436671516298""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 17.637436671516298 +""", +) + +entry( + index = 3223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.69432e-08,'m^3/(mol*s)'), n=3.88957, w0=(411,'kJ/mol'), E0=(57.2645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22319725033728594, var=81.60060986081083, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 18.670181690106414"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 18.670181690106414""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 18.670181690106414 +""", +) + +entry( + index = 3224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.1504e-08,'m^3/(mol*s)'), n=4.02076, w0=(411,'kJ/mol'), E0=(118.026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1929213549944529, var=219.68797889339305, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 30.19865977339785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 30.19865977339785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 30.19865977339785 +""", +) + +entry( + index = 3225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.4708e-08,'m^3/(mol*s)'), n=3.88457, w0=(411,'kJ/mol'), E0=(74.8343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32717105762678234, var=107.65382239414794, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 21.622439271706785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 21.622439271706785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 21.622439271706785 +""", +) + +entry( + index = 3226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(8.28627e-09,'m^3/(mol*s)'), n=4.02082, w0=(411,'kJ/mol'), E0=(81.5516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19804820940406972, var=198.51166588239388, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 28.74315665374233"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 28.74315665374233""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_Sp-9R!H=1C_N-9R!H->C_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 28.74315665374233 +""", +) + +entry( + index = 3227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C", + kinetics = ArrheniusBM(A=(1.07731e-07,'m^3/(mol*s)'), n=3.36406, w0=(411,'kJ/mol'), E0=(35.6623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2626112108656525, var=4.3137758958767956, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C + Total Standard Deviation in ln(k): 4.823588029480219"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C +Total Standard Deviation in ln(k): 4.823588029480219""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C +Total Standard Deviation in ln(k): 4.823588029480219 +""", +) + +entry( + index = 3228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S", + kinetics = ArrheniusBM(A=(1.99998e-12,'m^3/(mol*s)'), n=4.78848, w0=(411,'kJ/mol'), E0=(15.1189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09400467495812052, var=1.7935369175090883, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S + Total Standard Deviation in ln(k): 2.920993951919588"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S +Total Standard Deviation in ln(k): 2.920993951919588""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S +Total Standard Deviation in ln(k): 2.920993951919588 +""", +) + +entry( + index = 3229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.82282e-12,'m^3/(mol*s)'), n=4.6419, w0=(411,'kJ/mol'), E0=(15.1135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1295663312425417, var=1.9043525674322803, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 3.092043499623342"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.092043499623342""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.092043499623342 +""", +) + +entry( + index = 3230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(7.63621e-12,'m^3/(mol*s)'), n=4.59274, w0=(411,'kJ/mol'), E0=(15.736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08025709000980255, var=1.9937258566310336, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.0323240293424143"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.0323240293424143""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.0323240293424143 +""", +) + +entry( + index = 3231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(1.55139e-10,'m^3/(mol*s)'), n=4.09721, w0=(411,'kJ/mol'), E0=(19.8667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13678900796197685, var=0.42741106097705944, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 1.6543202605362528"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.6543202605362528""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.6543202605362528 +""", +) + +entry( + index = 3232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.40623e-10,'m^3/(mol*s)'), n=3.89419, w0=(411,'kJ/mol'), E0=(15.0986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22403964217868, var=1.1099066191673777, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.6749442931031036"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.6749442931031036""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_10R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.6749442931031036 +""", +) + +entry( + index = 3233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(5.88077e-13,'m^3/(mol*s)'), n=4.95569, w0=(411,'kJ/mol'), E0=(10.1408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003333042425040429, var=2.019692063389314, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 2.857421183919337"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.857421183919337""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.857421183919337 +""", +) + +entry( + index = 3234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.91963e-11,'m^3/(mol*s)'), n=4.41005, w0=(411,'kJ/mol'), E0=(2.85756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04095287203353807, var=3.096703248173008, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.6307196382583378"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.6307196382583378""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.6307196382583378 +""", +) + +entry( + index = 3235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C", + kinetics = ArrheniusBM(A=(3.30049e-07,'m^3/(mol*s)'), n=3.29173, w0=(411,'kJ/mol'), E0=(20.6871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16972367812349573, var=2.619381158770552, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C + Total Standard Deviation in ln(k): 3.671005356715912"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C +Total Standard Deviation in ln(k): 3.671005356715912""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C +Total Standard Deviation in ln(k): 3.671005356715912 +""", +) + +entry( + index = 3236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(1.0546e-07,'m^3/(mol*s)'), n=3.4899, w0=(411,'kJ/mol'), E0=(18.1521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_Sp-11C=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_Sp-11C=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_N-Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(1.42014e-09,'m^3/(mol*s)'), n=3.94159, w0=(411,'kJ/mol'), E0=(14.6701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12926358633405935, var=8.129354842160227, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_N-Sp-11C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_N-Sp-11C=10R!H + Total Standard Deviation in ln(k): 6.040688244562426"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 6.040688244562426""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_11R!H->C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 6.040688244562426 +""", +) + +entry( + index = 3238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_N-11R!H->C", + kinetics = ArrheniusBM(A=(4.93013e-10,'m^3/(mol*s)'), n=3.99386, w0=(411,'kJ/mol'), E0=(25.9669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07543317707015733, var=12.002034623427889, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_N-11R!H->C + Total Standard Deviation in ln(k): 7.13472532597915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_N-11R!H->C +Total Standard Deviation in ln(k): 7.13472532597915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1C-R_N-11R!H->C +Total Standard Deviation in ln(k): 7.13472532597915 +""", +) + +entry( + index = 3239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C", + kinetics = ArrheniusBM(A=(1.83055e-10,'m^3/(mol*s)'), n=4.31115, w0=(411,'kJ/mol'), E0=(23.7818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033056329831188, var=4.44264543265732, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C + Total Standard Deviation in ln(k): 4.308553285179334"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C +Total Standard Deviation in ln(k): 4.308553285179334""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C +Total Standard Deviation in ln(k): 4.308553285179334 +""", +) + +entry( + index = 3240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(1.1779e-09,'m^3/(mol*s)'), n=4.07123, w0=(411,'kJ/mol'), E0=(27.9279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16860495351567886, var=10.1738139338755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_Sp-11C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_Sp-11C=10R!H + Total Standard Deviation in ln(k): 6.818017061200715"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 6.818017061200715""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_Sp-11C=10R!H +Total Standard Deviation in ln(k): 6.818017061200715 +""", +) + +entry( + index = 3241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_N-Sp-11C=10R!H", + kinetics = ArrheniusBM(A=(3.84258e-10,'m^3/(mol*s)'), n=4.22715, w0=(411,'kJ/mol'), E0=(22.5517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021941389311993513, var=15.657072641626062, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_N-Sp-11C=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_N-Sp-11C=10R!H + Total Standard Deviation in ln(k): 7.987669154447194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 7.987669154447194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_11R!H->C_N-Sp-11C=10R!H +Total Standard Deviation in ln(k): 7.987669154447194 +""", +) + +entry( + index = 3242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_N-11R!H->C", + kinetics = ArrheniusBM(A=(8.26725e-09,'m^3/(mol*s)'), n=3.77703, w0=(411,'kJ/mol'), E0=(30.2127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17025953995225737, var=0.28717879863070317, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_N-11R!H->C + Total Standard Deviation in ln(k): 1.502106590994988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_N-11R!H->C +Total Standard Deviation in ln(k): 1.502106590994988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-10R!H-R_N-10R!H-inRing_N-11R!H->C +Total Standard Deviation in ln(k): 1.502106590994988 +""", +) + +entry( + index = 3243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.84288e-09,'m^3/(mol*s)'), n=3.7564, w0=(411,'kJ/mol'), E0=(18.2826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5398778230364739, var=21.374537430945693, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 10.62488939090384"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 10.62488939090384""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_9R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 10.62488939090384 +""", +) + +entry( + index = 3244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S", + kinetics = ArrheniusBM(A=(8.17877e-07,'m^3/(mol*s)'), n=3.07378, w0=(411,'kJ/mol'), E0=(41.4814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3011585545552901, var=4.487208761031147, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S + Total Standard Deviation in ln(k): 5.003316663446943"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S +Total Standard Deviation in ln(k): 5.003316663446943""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S +Total Standard Deviation in ln(k): 5.003316663446943 +""", +) + +entry( + index = 3245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.89383e-07,'m^3/(mol*s)'), n=3.14824, w0=(411,'kJ/mol'), E0=(37.0441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33978754370840214, var=5.291212594857246, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 5.4651566580895015"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.4651566580895015""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.4651566580895015 +""", +) + +entry( + index = 3246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.46248e-10,'m^3/(mol*s)'), n=4.05891, w0=(411,'kJ/mol'), E0=(29.3153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18929176816458634, var=5.781151493840661, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R + Total Standard Deviation in ln(k): 5.295797536246584"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R +Total Standard Deviation in ln(k): 5.295797536246584""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R +Total Standard Deviation in ln(k): 5.295797536246584 +""", +) + +entry( + index = 3247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing", + kinetics = ArrheniusBM(A=(5.97384e-11,'m^3/(mol*s)'), n=4.2125, w0=(411,'kJ/mol'), E0=(29.4343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05029255967101336, var=1.4077490057365574, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing + Total Standard Deviation in ln(k): 2.5049532993166643"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing +Total Standard Deviation in ln(k): 2.5049532993166643""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing +Total Standard Deviation in ln(k): 2.5049532993166643 +""", +) + +entry( + index = 3248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.08e-12,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(24.2672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.661338147753424e-16, var=9.86076131526266e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.462609158570668e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.462609158570668e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_9C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.462609158570668e-14 +""", +) + +entry( + index = 3249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing", + kinetics = ArrheniusBM(A=(3.50913e-10,'m^3/(mol*s)'), n=3.94156, w0=(411,'kJ/mol'), E0=(30.0761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22832672232983944, var=6.920765060002607, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing + Total Standard Deviation in ln(k): 5.84761136371367"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing +Total Standard Deviation in ln(k): 5.84761136371367""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing +Total Standard Deviation in ln(k): 5.84761136371367 +""", +) + +entry( + index = 3250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C", + kinetics = ArrheniusBM(A=(3.68152e-11,'m^3/(mol*s)'), n=4.20758, w0=(411,'kJ/mol'), E0=(26.8511,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09682981088010122, var=5.742702236976485, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C + Total Standard Deviation in ln(k): 5.047425270717381"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C +Total Standard Deviation in ln(k): 5.047425270717381""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C +Total Standard Deviation in ln(k): 5.047425270717381 +""", +) + +entry( + index = 3251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(4.55624e-08,'m^3/(mol*s)'), n=3.26504, w0=(411,'kJ/mol'), E0=(34.4048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3093025237273098, var=9.7427361072498, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R + Total Standard Deviation in ln(k): 7.0345930426730945"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R +Total Standard Deviation in ln(k): 7.0345930426730945""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R +Total Standard Deviation in ln(k): 7.0345930426730945 +""", +) + +entry( + index = 3252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C", + kinetics = ArrheniusBM(A=(4.17171e-07,'m^3/(mol*s)'), n=2.93482, w0=(411,'kJ/mol'), E0=(33.036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31942607676103935, var=8.45133750409282, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C + Total Standard Deviation in ln(k): 6.630580351712938"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C +Total Standard Deviation in ln(k): 6.630580351712938""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C +Total Standard Deviation in ln(k): 6.630580351712938 +""", +) + +entry( + index = 3253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.22063e-11,'m^3/(mol*s)'), n=3.95017, w0=(411,'kJ/mol'), E0=(20.6354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1729198093930056, var=44.673276767693785, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C_Ext-1C-R + Total Standard Deviation in ln(k): 13.833734339473198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 13.833734339473198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 13.833734339473198 +""", +) + +entry( + index = 3254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C", + kinetics = ArrheniusBM(A=(1.33321e-09,'m^3/(mol*s)'), n=3.75915, w0=(411,'kJ/mol'), E0=(34.2334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1554521473949967, var=20.063212903744738, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C + Total Standard Deviation in ln(k): 9.370188226941977"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C +Total Standard Deviation in ln(k): 9.370188226941977""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C +Total Standard Deviation in ln(k): 9.370188226941977 +""", +) + +entry( + index = 3255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.10739e-10,'m^3/(mol*s)'), n=3.92563, w0=(411,'kJ/mol'), E0=(12.3138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13761346039801428, var=33.23431570202742, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C_Ext-1C-R + Total Standard Deviation in ln(k): 11.902902082666571"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 11.902902082666571""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Ext-10R!H-R_N-Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 11.902902082666571 +""", +) + +entry( + index = 3256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C", + kinetics = ArrheniusBM(A=(6.7557e-11,'m^3/(mol*s)'), n=4.11368, w0=(411,'kJ/mol'), E0=(32.1467,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2440052520475074, var=8.165251717649552, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C + Total Standard Deviation in ln(k): 6.341589877235106"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C +Total Standard Deviation in ln(k): 6.341589877235106""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C +Total Standard Deviation in ln(k): 6.341589877235106 +""", +) + +entry( + index = 3257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.17621e-10,'m^3/(mol*s)'), n=3.69604, w0=(411,'kJ/mol'), E0=(30.617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36800800011776114, var=38.05099220764062, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C_Ext-1C-R + Total Standard Deviation in ln(k): 13.290949032680723"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 13.290949032680723""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 13.290949032680723 +""", +) + +entry( + index = 3258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C", + kinetics = ArrheniusBM(A=(5.309e-10,'m^3/(mol*s)'), n=4.00683, w0=(411,'kJ/mol'), E0=(26.3114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2191335087838567, var=0.07237300187709624, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C + Total Standard Deviation in ln(k): 1.0899051617269415"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C +Total Standard Deviation in ln(k): 1.0899051617269415""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C +Total Standard Deviation in ln(k): 1.0899051617269415 +""", +) + +entry( + index = 3259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.53253e-10,'m^3/(mol*s)'), n=3.98471, w0=(411,'kJ/mol'), E0=(22.8819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19093981288723208, var=0.06895966471082599, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C_Ext-1C-R + Total Standard Deviation in ln(k): 1.0061951582600126"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 1.0061951582600126""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_11R!H->C_N-Sp-11C=9C_Ext-1C-R +Total Standard Deviation in ln(k): 1.0061951582600126 +""", +) + +entry( + index = 3260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C", + kinetics = ArrheniusBM(A=(6.32847e-08,'m^3/(mol*s)'), n=3.35326, w0=(411,'kJ/mol'), E0=(38.9465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42171309895440373, var=27.21068470597186, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C + Total Standard Deviation in ln(k): 11.517052988906473"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C +Total Standard Deviation in ln(k): 11.517052988906473""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C +Total Standard Deviation in ln(k): 11.517052988906473 +""", +) + +entry( + index = 3261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.19608e-08,'m^3/(mol*s)'), n=3.58211, w0=(411,'kJ/mol'), E0=(22.6255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0109277995886643, var=109.97853634539345, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 23.563807046673166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 23.563807046673166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-9C-R_N-9C-inRing_N-11R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 23.563807046673166 +""", +) + +entry( + index = 3262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.8128e-08,'m^3/(mol*s)'), n=3.5646, w0=(411,'kJ/mol'), E0=(25.5904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7532794691710405, var=0.8647696469349618, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.7569251030930957"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.7569251030930957""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.7569251030930957 +""", +) + +entry( + index = 3263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.53273e-10,'m^3/(mol*s)'), n=4.26024, w0=(411,'kJ/mol'), E0=(42.2879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03008777964195112, var=3.6104170486430314, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R + Total Standard Deviation in ln(k): 3.8848140959399164"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R +Total Standard Deviation in ln(k): 3.8848140959399164""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R +Total Standard Deviation in ln(k): 3.8848140959399164 +""", +) + +entry( + index = 3264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.50294e-09,'m^3/(mol*s)'), n=4.00858, w0=(411,'kJ/mol'), E0=(41.91,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02393956342998275, var=2.9333984863122886, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 3.49369289822018"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 3.49369289822018""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 3.49369289822018 +""", +) + +entry( + index = 3265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_Sp-10C#9C", + kinetics = ArrheniusBM(A=(6.32846e-10,'m^3/(mol*s)'), n=4.18253, w0=(411,'kJ/mol'), E0=(35.3252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06073347895715254, var=2.5658724771410317, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_Sp-10C#9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_Sp-10C#9C + Total Standard Deviation in ln(k): 3.363849684989147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_Sp-10C#9C +Total Standard Deviation in ln(k): 3.363849684989147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_Sp-10C#9C +Total Standard Deviation in ln(k): 3.363849684989147 +""", +) + +entry( + index = 3266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C", + kinetics = ArrheniusBM(A=(1.46261e-10,'m^3/(mol*s)'), n=4.26532, w0=(411,'kJ/mol'), E0=(42.1942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026120072132430266, var=3.5493831966941336, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C + Total Standard Deviation in ln(k): 3.842510473120374"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C +Total Standard Deviation in ln(k): 3.842510473120374""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C +Total Standard Deviation in ln(k): 3.842510473120374 +""", +) + +entry( + index = 3267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_9C-inRing", + kinetics = ArrheniusBM(A=(8.11797e-11,'m^3/(mol*s)'), n=4.38434, w0=(411,'kJ/mol'), E0=(41.3529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09522474397488238, var=19.989741269703476, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_9C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_9C-inRing + Total Standard Deviation in ln(k): 9.202406322843396"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_9C-inRing +Total Standard Deviation in ln(k): 9.202406322843396""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_9C-inRing +Total Standard Deviation in ln(k): 9.202406322843396 +""", +) + +entry( + index = 3268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_N-9C-inRing", + kinetics = ArrheniusBM(A=(1.07402e-10,'m^3/(mol*s)'), n=4.25799, w0=(411,'kJ/mol'), E0=(42.0701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.033637470863389, var=1.3662318967409826, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_N-9C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_N-9C-inRing + Total Standard Deviation in ln(k): 2.4277693549534107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_N-9C-inRing +Total Standard Deviation in ln(k): 2.4277693549534107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_10R!H->C_N-Sp-10C#9C_N-9C-inRing +Total Standard Deviation in ln(k): 2.4277693549534107 +""", +) + +entry( + index = 3269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.6446e-10,'m^3/(mol*s)'), n=4.15424, w0=(411,'kJ/mol'), E0=(50.927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12558181369394766, var=2.88258204058472, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 3.7192051802108015"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 3.7192051802108015""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_Ext-1C-R_N-Sp-9R!H=1C_N-9R!H->S_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 3.7192051802108015 +""", +) + +entry( + index = 3270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_4C-inRing", + kinetics = ArrheniusBM(A=(1.96945e-09,'m^3/(mol*s)'), n=4.24766, w0=(411,'kJ/mol'), E0=(44.5171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.000572844455063203, var=6.431902905189634, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_4C-inRing + Total Standard Deviation in ln(k): 5.085687340804781"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_4C-inRing +Total Standard Deviation in ln(k): 5.085687340804781""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_4C-inRing +Total Standard Deviation in ln(k): 5.085687340804781 +""", +) + +entry( + index = 3271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.78504e-12,'m^3/(mol*s)'), n=5.29112, w0=(411,'kJ/mol'), E0=(44.9551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-7CS-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.68096e-06,'m^3/(mol*s)'), n=3.43307, w0=(411,'kJ/mol'), E0=(53.2566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08600461085316086, var=14.287314549987139, Tref=1000.0, N=249, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R',), comment="""BM rule fitted to 249 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 7.793702738210129"""), + rank = 11, + shortDesc = """BM rule fitted to 249 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 7.793702738210129""", + longDesc = +""" +BM rule fitted to 249 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 7.793702738210129 +""", +) + +entry( + index = 3273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(7.73034,'m^3/(mol*s)'), n=1.77323, w0=(411,'kJ/mol'), E0=(82.7378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012834776396134564, var=21.106625691947556, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C',), comment="""BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C + Total Standard Deviation in ln(k): 9.24239161309994"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 9.24239161309994""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 9.24239161309994 +""", +) + +entry( + index = 3274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.37913e-08,'m^3/(mol*s)'), n=4.14332, w0=(411,'kJ/mol'), E0=(49.9598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.278325927236779, var=10.234871934508417, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.11285710697669"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.11285710697669""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.11285710697669 +""", +) + +entry( + index = 3275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C", + kinetics = ArrheniusBM(A=(3.82282e-08,'m^3/(mol*s)'), n=4.16609, w0=(411,'kJ/mol'), E0=(55.8741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34755768495646217, var=20.094355164998536, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C + Total Standard Deviation in ln(k): 9.859831857933884"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C +Total Standard Deviation in ln(k): 9.859831857933884""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C +Total Standard Deviation in ln(k): 9.859831857933884 +""", +) + +entry( + index = 3276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_7CS->C", + kinetics = ArrheniusBM(A=(8.23915e-10,'m^3/(mol*s)'), n=4.78595, w0=(411,'kJ/mol'), E0=(41.131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45602872502228237, var=37.414234643649365, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_7CS->C + Total Standard Deviation in ln(k): 13.408199220878513"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_7CS->C +Total Standard Deviation in ln(k): 13.408199220878513""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_7CS->C +Total Standard Deviation in ln(k): 13.408199220878513 +""", +) + +entry( + index = 3277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_N-7CS->C", + kinetics = ArrheniusBM(A=(3.34432e-11,'m^3/(mol*s)'), n=4.89988, w0=(411,'kJ/mol'), E0=(58.5979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37553383849251004, var=15.924772822303808, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_N-7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_N-7CS->C + Total Standard Deviation in ln(k): 8.943619136809366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_N-7CS->C +Total Standard Deviation in ln(k): 8.943619136809366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_Sp-7CS=4C_N-7CS->C +Total Standard Deviation in ln(k): 8.943619136809366 +""", +) + +entry( + index = 3278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-Sp-7CS=4C", + kinetics = ArrheniusBM(A=(1.06513e-09,'m^3/(mol*s)'), n=4.49727, w0=(411,'kJ/mol'), E0=(34.4477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19024358391785656, var=0.041974326887762425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-Sp-7CS=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-Sp-7CS=4C + Total Standard Deviation in ln(k): 0.888721799562967"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-Sp-7CS=4C +Total Standard Deviation in ln(k): 0.888721799562967""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R_N-Sp-7CS=4C +Total Standard Deviation in ln(k): 0.888721799562967 +""", +) + +entry( + index = 3279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C", + kinetics = ArrheniusBM(A=(10038.4,'m^3/(mol*s)'), n=0.918584, w0=(411,'kJ/mol'), E0=(91.5518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14311665546710148, var=24.278092223122798, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C + Total Standard Deviation in ln(k): 10.237481457501609"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C +Total Standard Deviation in ln(k): 10.237481457501609""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C +Total Standard Deviation in ln(k): 10.237481457501609 +""", +) + +entry( + index = 3280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C", + kinetics = ArrheniusBM(A=(0.00250542,'m^3/(mol*s)'), n=2.80704, w0=(411,'kJ/mol'), E0=(56.4474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1322487274481733, var=11.788193892107275, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C + Total Standard Deviation in ln(k): 7.215328484732339"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C +Total Standard Deviation in ln(k): 7.215328484732339""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C +Total Standard Deviation in ln(k): 7.215328484732339 +""", +) + +entry( + index = 3281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.00155491,'m^3/(mol*s)'), n=2.99133, w0=(411,'kJ/mol'), E0=(56.4264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31311725114820765, var=17.091754438529676, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C + Total Standard Deviation in ln(k): 9.074737626047865"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 9.074737626047865""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 9.074737626047865 +""", +) + +entry( + index = 3282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.1703e-09,'m^3/(mol*s)'), n=4.56415, w0=(411,'kJ/mol'), E0=(41.4535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4493984357792168, var=18.11470827587296, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 9.661570376239043"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 9.661570376239043""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 9.661570376239043 +""", +) + +entry( + index = 3283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.99459e-09,'m^3/(mol*s)'), n=4.65791, w0=(411,'kJ/mol'), E0=(49.3173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3892062187472577, var=11.255506329224447, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 7.70363629273222"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 7.70363629273222""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 7.70363629273222 +""", +) + +entry( + index = 3284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(4.4307e-18,'m^3/(mol*s)'), n=7.21516, w0=(411,'kJ/mol'), E0=(20.516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6397300502191443, var=7.811099686064405, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 7.210264622473002"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 7.210264622473002""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 7.210264622473002 +""", +) + +entry( + index = 3285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(2.44991e-09,'m^3/(mol*s)'), n=4.67224, w0=(411,'kJ/mol'), E0=(49.3452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3974738168104692, var=15.25829580696033, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 8.829547754357161"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 8.829547754357161""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 8.829547754357161 +""", +) + +entry( + index = 3286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(8.969e-09,'m^3/(mol*s)'), n=4.53311, w0=(411,'kJ/mol'), E0=(52.1015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2326191846753065, var=42.07111301364281, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + Total Standard Deviation in ln(k): 13.587632822195738"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 13.587632822195738""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 13.587632822195738 +""", +) + +entry( + index = 3287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(6.71174e-10,'m^3/(mol*s)'), n=4.81101, w0=(411,'kJ/mol'), E0=(46.5401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5763556423229447, var=60.40945310953205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 17.02963612011433"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 17.02963612011433""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 17.02963612011433 +""", +) + +entry( + index = 3288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.56253e-08,'m^3/(mol*s)'), n=4.55575, w0=(411,'kJ/mol'), E0=(70.3377,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28205415131125755, var=0.7589713378154186, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 2.4551831437978526"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 2.4551831437978526""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 2.4551831437978526 +""", +) + +entry( + index = 3289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(0.00975126,'m^3/(mol*s)'), n=2.52917, w0=(411,'kJ/mol'), E0=(1.23878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7595174383010451, var=264.12625039177664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 34.4892124315815"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 34.4892124315815""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_Sp-7C=4C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 34.4892124315815 +""", +) + +entry( + index = 3290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(0.0002275,'m^3/(mol*s)'), n=2.98062, w0=(411,'kJ/mol'), E0=(52.7554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016221576235587776, var=8.00910526729529, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 5.714230702131645"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 5.714230702131645""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 5.714230702131645 +""", +) + +entry( + index = 3291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.93408e-11,'m^3/(mol*s)'), n=4.89588, w0=(411,'kJ/mol'), E0=(32.6708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16444510226672357, var=8.363591466421928, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 6.21084735253404"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 6.21084735253404""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 6.21084735253404 +""", +) + +entry( + index = 3292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(1.16532e-11,'m^3/(mol*s)'), n=5.0919, w0=(411,'kJ/mol'), E0=(38.8151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14298364104159314, var=5.17614836187852, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 4.9202582685717"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 4.9202582685717""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 4.9202582685717 +""", +) + +entry( + index = 3293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.72405e-17,'m^3/(mol*s)'), n=6.78961, w0=(411,'kJ/mol'), E0=(15.0592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13407375085753032, var=4.1953213798329445, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 4.443064072671657"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 4.443064072671657""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 4.443064072671657 +""", +) + +entry( + index = 3294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(3.11101e-09,'m^3/(mol*s)'), n=4.38615, w0=(411,'kJ/mol'), E0=(45.4384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08991503131564653, var=2.432836309983206, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 3.35281314244241"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 3.35281314244241""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 3.35281314244241 +""", +) + +entry( + index = 3295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(1.16099e-08,'m^3/(mol*s)'), n=4.24444, w0=(411,'kJ/mol'), E0=(44.7565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07302573181034082, var=0.3950992318467902, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + Total Standard Deviation in ln(k): 1.4435964503185952"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 1.4435964503185952""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 1.4435964503185952 +""", +) + +entry( + index = 3296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(8.71507e-10,'m^3/(mol*s)'), n=4.52233, w0=(411,'kJ/mol'), E0=(46.1728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25210252663254457, var=14.647948626583222, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 8.306073537138214"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 8.306073537138214""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 8.306073537138214 +""", +) + +entry( + index = 3297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.02001e-08,'m^3/(mol*s)'), n=4.26707, w0=(411,'kJ/mol'), E0=(69.6992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04884672529277117, var=23.44370605724425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 9.829397293553242"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 9.829397293553242""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 9.829397293553242 +""", +) + +entry( + index = 3298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(0.000219507,'m^3/(mol*s)'), n=2.78439, w0=(411,'kJ/mol'), E0=(7.89861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39663515108027436, var=118.19627421127223, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 22.791671578638148"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 22.791671578638148""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_8R!H->C_N-Sp-7C=4C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 22.791671578638148 +""", +) + +entry( + index = 3299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.80775e-08,'m^3/(mol*s)'), n=4.28756, w0=(411,'kJ/mol'), E0=(80.6304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10561504206366132, var=33.363648646456, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C + Total Standard Deviation in ln(k): 11.844969794697116"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C +Total Standard Deviation in ln(k): 11.844969794697116""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C +Total Standard Deviation in ln(k): 11.844969794697116 +""", +) + +entry( + index = 3300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.59619e-09,'m^3/(mol*s)'), n=4.56889, w0=(411,'kJ/mol'), E0=(79.2145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11861596477946473, var=40.019174785213224, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 12.980126575396758"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.980126575396758""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.980126575396758 +""", +) + +entry( + index = 3301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.26058e-10,'m^3/(mol*s)'), n=4.90066, w0=(411,'kJ/mol'), E0=(82.5212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15002343717268668, var=56.28300975416436, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 15.41686746368595"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 15.41686746368595""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 15.41686746368595 +""", +) + +entry( + index = 3302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.93093e-09,'m^3/(mol*s)'), n=4.43106, w0=(411,'kJ/mol'), E0=(58.0857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04571514868880504, var=48.01234925010006, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 14.005860787543204"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 14.005860787543204""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 14.005860787543204 +""", +) + +entry( + index = 3303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Sp-7C=4C", + kinetics = ArrheniusBM(A=(4.83768e-09,'m^3/(mol*s)'), n=4.53353, w0=(411,'kJ/mol'), E0=(62.1004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13243436625179217, var=232.8740251647448, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Sp-7C=4C + Total Standard Deviation in ln(k): 30.925428985098172"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 30.925428985098172""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 30.925428985098172 +""", +) + +entry( + index = 3304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(6.26009e-09,'m^3/(mol*s)'), n=4.24486, w0=(411,'kJ/mol'), E0=(54.7816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05464309497103893, var=88.31307442795267, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-Sp-7C=4C + Total Standard Deviation in ln(k): 18.976799370359366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 18.976799370359366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 18.976799370359366 +""", +) + +entry( + index = 3305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(4.76377e-09,'m^3/(mol*s)'), n=4.4903, w0=(411,'kJ/mol'), E0=(114.576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1640717235900812, var=87.54195985040161, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 19.169315816513347"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 19.169315816513347""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 19.169315816513347 +""", +) + +entry( + index = 3306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Sp-7C=4C", + kinetics = ArrheniusBM(A=(3.28641e-09,'m^3/(mol*s)'), n=4.66473, w0=(411,'kJ/mol'), E0=(114.772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2881421736113305, var=355.6320635687703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Sp-7C=4C + Total Standard Deviation in ln(k): 38.52968928698897"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 38.52968928698897""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_Sp-7C=4C +Total Standard Deviation in ln(k): 38.52968928698897 +""", +) + +entry( + index = 3307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(4.25689e-09,'m^3/(mol*s)'), n=4.37605, w0=(411,'kJ/mol'), E0=(113.86,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04756836874346153, var=221.62210244857295, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-Sp-7C=4C + Total Standard Deviation in ln(k): 29.96396473149949"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 29.96396473149949""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-Sp-7C=4C +Total Standard Deviation in ln(k): 29.96396473149949 +""", +) + +entry( + index = 3308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C", + kinetics = ArrheniusBM(A=(3.91804e-09,'m^3/(mol*s)'), n=4.56952, w0=(411,'kJ/mol'), E0=(74.7131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23725708184735197, var=79.67910177193474, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C + Total Standard Deviation in ln(k): 18.491020371050418"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 18.491020371050418""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C +Total Standard Deviation in ln(k): 18.491020371050418 +""", +) + +entry( + index = 3309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_9R!H->C", + kinetics = ArrheniusBM(A=(4.19628e-09,'m^3/(mol*s)'), n=4.52853, w0=(411,'kJ/mol'), E0=(71.0977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1722142863522819, var=207.5858467240771, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_9R!H->C + Total Standard Deviation in ln(k): 29.316600980408353"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_9R!H->C +Total Standard Deviation in ln(k): 29.316600980408353""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_9R!H->C +Total Standard Deviation in ln(k): 29.316600980408353 +""", +) + +entry( + index = 3310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.36475e-09,'m^3/(mol*s)'), n=4.66479, w0=(411,'kJ/mol'), E0=(77.8333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3039701009304767, var=330.45130151779387, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_N-9R!H->C + Total Standard Deviation in ln(k): 37.20645881420487"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_N-9R!H->C +Total Standard Deviation in ln(k): 37.20645881420487""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_Sp-7C=4C_N-9R!H->C +Total Standard Deviation in ln(k): 37.20645881420487 +""", +) + +entry( + index = 3311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(5.04732e-09,'m^3/(mol*s)'), n=4.28151, w0=(411,'kJ/mol'), E0=(73.7743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015615183855399032, var=46.30790512547169, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C + Total Standard Deviation in ln(k): 13.68143867458544"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 13.68143867458544""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 13.68143867458544 +""", +) + +entry( + index = 3312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_9R!H->C", + kinetics = ArrheniusBM(A=(5.43209e-09,'m^3/(mol*s)'), n=4.23986, w0=(411,'kJ/mol'), E0=(70.0832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.083073596520667, var=110.59004029599748, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_9R!H->C + Total Standard Deviation in ln(k): 21.29088241300741"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_9R!H->C +Total Standard Deviation in ln(k): 21.29088241300741""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_9R!H->C +Total Standard Deviation in ln(k): 21.29088241300741 +""", +) + +entry( + index = 3313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.06444e-09,'m^3/(mol*s)'), n=4.37611, w0=(411,'kJ/mol'), E0=(76.9843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04985973696771012, var=202.21860528893978, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_N-9R!H->C + Total Standard Deviation in ln(k): 28.633327883122536"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_N-9R!H->C +Total Standard Deviation in ln(k): 28.633327883122536""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Ext-1C-R_N-Sp-7C=4C_N-9R!H->C +Total Standard Deviation in ln(k): 28.633327883122536 +""", +) + +entry( + index = 3314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(4.83774e-09,'m^3/(mol*s)'), n=4.66251, w0=(411,'kJ/mol'), E0=(74.8307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3177166434312176, var=99.01146994817651, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Sp-7C=4C + Total Standard Deviation in ln(k): 20.746300659971933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 20.746300659971933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_Sp-7C=4C +Total Standard Deviation in ln(k): 20.746300659971933 +""", +) + +entry( + index = 3315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(6.2662e-09,'m^3/(mol*s)'), n=4.37384, w0=(411,'kJ/mol'), E0=(73.8945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05056122520864983, var=36.65729616507255, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 12.264760737921991"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 12.264760737921991""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_7CS->C_N-8R!H->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 12.264760737921991 +""", +) + +entry( + index = 3316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C", + kinetics = ArrheniusBM(A=(2.27608e-10,'m^3/(mol*s)'), n=4.72252, w0=(411,'kJ/mol'), E0=(58.0155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41178272961603646, var=21.971787927094464, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C + Total Standard Deviation in ln(k): 10.431639966572185"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C +Total Standard Deviation in ln(k): 10.431639966572185""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C +Total Standard Deviation in ln(k): 10.431639966572185 +""", +) + +entry( + index = 3317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C", + kinetics = ArrheniusBM(A=(1.03425e-10,'m^3/(mol*s)'), n=4.83468, w0=(411,'kJ/mol'), E0=(51.96,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5248459603722287, var=24.6216843152326, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C + Total Standard Deviation in ln(k): 11.266252442843152"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C +Total Standard Deviation in ln(k): 11.266252442843152""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C +Total Standard Deviation in ln(k): 11.266252442843152 +""", +) + +entry( + index = 3318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.51044e-12,'m^3/(mol*s)'), n=5.27525, w0=(411,'kJ/mol'), E0=(47.7315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42918540130074, var=23.69481350584646, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.836868096004938"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.836868096004938""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.836868096004938 +""", +) + +entry( + index = 3319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(7.01934e-11,'m^3/(mol*s)'), n=4.89918, w0=(411,'kJ/mol'), E0=(62.5285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3783640796617643, var=15.365942296224256, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 8.809107981647708"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 8.809107981647708""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 8.809107981647708 +""", +) + +entry( + index = 3320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.1734e-12,'m^3/(mol*s)'), n=5.44128, w0=(411,'kJ/mol'), E0=(64.3844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44145718972091036, var=14.531562206231095, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 8.751296411158691"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 8.751296411158691""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 8.751296411158691 +""", +) + +entry( + index = 3321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.67986e-10,'m^3/(mol*s)'), n=4.78562, w0=(411,'kJ/mol'), E0=(63.3036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3721296625652218, var=28.504300271700476, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 11.63816319146285"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 11.63816319146285""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 11.63816319146285 +""", +) + +entry( + index = 3322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(6.12043e-10,'m^3/(mol*s)'), n=4.64704, w0=(411,'kJ/mol'), E0=(68.8693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25674896450041473, var=102.43258882330093, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + Total Standard Deviation in ln(k): 20.934818373767925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 20.934818373767925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 20.934818373767925 +""", +) + +entry( + index = 3323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(4.58356e-11,'m^3/(mol*s)'), n=4.92494, w0=(411,'kJ/mol'), E0=(57.7238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.628103317840117, var=83.24143139373135, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 19.86869879664771"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 19.86869879664771""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 19.86869879664771 +""", +) + +entry( + index = 3324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.06573e-09,'m^3/(mol*s)'), n=4.66968, w0=(411,'kJ/mol'), E0=(85.1054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2836894739533659, var=2.052670562464565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 3.585000443910239"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 3.585000443910239""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 3.585000443910239 +""", +) + +entry( + index = 3325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.06266e-07,'m^3/(mol*s)'), n=3.79613, w0=(411,'kJ/mol'), E0=(-6.13066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6122244064107001, var=161.22665702684884, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 26.99338782526679"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 26.99338782526679""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 26.99338782526679 +""", +) + +entry( + index = 3326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.04127e-11,'m^3/(mol*s)'), n=5.00578, w0=(411,'kJ/mol'), E0=(61.4971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5728736941796059, var=30.743621535977354, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C + Total Standard Deviation in ln(k): 12.555021885383152"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C +Total Standard Deviation in ln(k): 12.555021885383152""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C +Total Standard Deviation in ln(k): 12.555021885383152 +""", +) + +entry( + index = 3327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.94789e-11,'m^3/(mol*s)'), n=4.89443, w0=(411,'kJ/mol'), E0=(61.4087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.580777854584618, var=38.68800288684129, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 13.928629026178418"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.928629026178418""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.928629026178418 +""", +) + +entry( + index = 3328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.18133e-06,'m^3/(mol*s)'), n=3.67075, w0=(411,'kJ/mol'), E0=(83.7908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6169505981867274, var=88.58111353867378, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 20.418200534127088"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 20.418200534127088""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 20.418200534127088 +""", +) + +entry( + index = 3329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.29858e-10,'m^3/(mol*s)'), n=4.64746, w0=(411,'kJ/mol'), E0=(66.0183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.121075799405019, var=373.8065702821835, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 39.06391481217634"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 39.06391481217634""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 39.06391481217634 +""", +) + +entry( + index = 3330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(2.242e-10,'m^3/(mol*s)'), n=4.77866, w0=(411,'kJ/mol'), E0=(82.3894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2949831607010923, var=64.49226904869084, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 16.840605503046532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 16.840605503046532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 16.840605503046532 +""", +) + +entry( + index = 3331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.38908e-10,'m^3/(mol*s)'), n=4.64246, w0=(411,'kJ/mol'), E0=(57.4103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17474865194943048, var=110.08125141999632, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 21.472669765633455"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 21.472669765633455""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 21.472669765633455 +""", +) + +entry( + index = 3332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.87116e-11,'m^3/(mol*s)'), n=4.77872, w0=(411,'kJ/mol'), E0=(46.5007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15153548168897765, var=86.01418581151717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 18.973423962378856"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 18.973423962378856""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_Sp-8R!H=1C_N-7CS->C_N-8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 18.973423962378856 +""", +) + +entry( + index = 3333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(4.01426e-17,'m^3/(mol*s)'), n=6.37508, w0=(411,'kJ/mol'), E0=(19.3147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32141393288832504, var=11.233626592017877, Tref=1000.0, N=177, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C',), comment="""BM rule fitted to 177 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C + Total Standard Deviation in ln(k): 7.526763614408252"""), + rank = 11, + shortDesc = """BM rule fitted to 177 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 7.526763614408252""", + longDesc = +""" +BM rule fitted to 177 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 7.526763614408252 +""", +) + +entry( + index = 3334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S", + kinetics = ArrheniusBM(A=(1.57641e-17,'m^3/(mol*s)'), n=6.53029, w0=(411,'kJ/mol'), E0=(7.40611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34277984975297465, var=11.833979335328056, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S + Total Standard Deviation in ln(k): 7.757655102222652"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S +Total Standard Deviation in ln(k): 7.757655102222652""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S +Total Standard Deviation in ln(k): 7.757655102222652 +""", +) + +entry( + index = 3335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.78704e-18,'m^3/(mol*s)'), n=6.57651, w0=(411,'kJ/mol'), E0=(2.19285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.273212279777543, var=10.505687313909423, Tref=1000.0, N=57, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 7.184306177693794"""), + rank = 11, + shortDesc = """BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.184306177693794""", + longDesc = +""" +BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.184306177693794 +""", +) + +entry( + index = 3336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C", + kinetics = ArrheniusBM(A=(5.16028e-14,'m^3/(mol*s)'), n=5.61436, w0=(411,'kJ/mol'), E0=(13.056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19522203944613128, var=7.348199277487189, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C + Total Standard Deviation in ln(k): 5.924855714790032"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C +Total Standard Deviation in ln(k): 5.924855714790032""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C +Total Standard Deviation in ln(k): 5.924855714790032 +""", +) + +entry( + index = 3337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.05039e-16,'m^3/(mol*s)'), n=6.29342, w0=(411,'kJ/mol'), E0=(7.79784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2874789199997579, var=6.9329275325438475, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 6.000867110147851"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.000867110147851""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.000867110147851 +""", +) + +entry( + index = 3338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.752e-17,'m^3/(mol*s)'), n=6.71555, w0=(411,'kJ/mol'), E0=(7.74183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4496766024191309, var=12.98521048069939, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C + Total Standard Deviation in ln(k): 8.353903068828066"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C +Total Standard Deviation in ln(k): 8.353903068828066""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C +Total Standard Deviation in ln(k): 8.353903068828066 +""", +) + +entry( + index = 3339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing", + kinetics = ArrheniusBM(A=(5.43574e-11,'m^3/(mol*s)'), n=4.71551, w0=(411,'kJ/mol'), E0=(24.1145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2965785071993918, var=15.926879276813612, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing + Total Standard Deviation in ln(k): 8.745767995652821"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing +Total Standard Deviation in ln(k): 8.745767995652821""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing +Total Standard Deviation in ln(k): 8.745767995652821 +""", +) + +entry( + index = 3340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.6907e-11,'m^3/(mol*s)'), n=4.53816, w0=(411,'kJ/mol'), E0=(19.4619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14019147663401596, var=52.22953327961453, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 14.840460888939887"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 14.840460888939887""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 14.840460888939887 +""", +) + +entry( + index = 3341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(4.17278e-18,'m^3/(mol*s)'), n=6.94529, w0=(411,'kJ/mol'), E0=(4.93577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21528339217479814, var=15.743455728857306, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing + Total Standard Deviation in ln(k): 8.495305657555738"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing +Total Standard Deviation in ln(k): 8.495305657555738""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing +Total Standard Deviation in ln(k): 8.495305657555738 +""", +) + +entry( + index = 3342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.18162e-16,'m^3/(mol*s)'), n=6.42428, w0=(411,'kJ/mol'), E0=(0.177826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1216737484090086, var=24.828587979987592, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 10.29496564765932"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 10.29496564765932""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 10.29496564765932 +""", +) + +entry( + index = 3343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(4.69165e-08,'m^3/(mol*s)'), n=4.11805, w0=(411,'kJ/mol'), E0=(24.6374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12385518081636887, var=28.602628162023358, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 11.032802783126412"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 11.032802783126412""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 11.032802783126412 +""", +) + +entry( + index = 3344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(1.70724e-09,'m^3/(mol*s)'), n=4.77783, w0=(411,'kJ/mol'), E0=(19.1244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(4.05292e-10,'m^3/(mol*s)'), n=4.58555, w0=(411,'kJ/mol'), E0=(20.4317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17792617756402324, var=80.93537381639972, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H + Total Standard Deviation in ln(k): 18.482467270073855"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 18.482467270073855""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 18.482467270073855 +""", +) + +entry( + index = 3346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.40949e-10,'m^3/(mol*s)'), n=4.63782, w0=(411,'kJ/mol'), E0=(37.7265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07029067765789754, var=87.97505147116281, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 18.980025737817364"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 18.980025737817364""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 18.980025737817364 +""", +) + +entry( + index = 3347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C", + kinetics = ArrheniusBM(A=(1.62922e-10,'m^3/(mol*s)'), n=4.81363, w0=(411,'kJ/mol'), E0=(29.4309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3250561286809458, var=28.837109772238072, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C + Total Standard Deviation in ln(k): 11.582190463161082"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 11.582190463161082""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 11.582190463161082 +""", +) + +entry( + index = 3348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(3.3653e-10,'m^3/(mol*s)'), n=4.7152, w0=(411,'kJ/mol'), E0=(32.4966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2215337181374052, var=87.86543192672119, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H + Total Standard Deviation in ln(k): 19.348314916426773"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 19.348314916426773""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 19.348314916426773 +""", +) + +entry( + index = 3349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(1.09615e-10,'m^3/(mol*s)'), n=4.87111, w0=(411,'kJ/mol'), E0=(26.7233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4259551647761908, var=104.2331301069957, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H + Total Standard Deviation in ln(k): 21.53750724924426"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 21.53750724924426""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 21.53750724924426 +""", +) + +entry( + index = 3350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.35752e-09,'m^3/(mol*s)'), n=4.42099, w0=(411,'kJ/mol'), E0=(38.2759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009638738841959898, var=38.028739483688916, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_N-10R!H->C + Total Standard Deviation in ln(k): 12.3869072345974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 12.3869072345974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_Sp-7C=4C_N-9R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 12.3869072345974 +""", +) + +entry( + index = 3351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.97042e-15,'m^3/(mol*s)'), n=5.84474, w0=(411,'kJ/mol'), E0=(8.19034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13824925105651828, var=2.143276826828525, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C + Total Standard Deviation in ln(k): 3.2822789531184333"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.2822789531184333""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C +Total Standard Deviation in ln(k): 3.2822789531184333 +""", +) + +entry( + index = 3352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing", + kinetics = ArrheniusBM(A=(6.72889e-11,'m^3/(mol*s)'), n=4.43242, w0=(411,'kJ/mol'), E0=(17.3004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06367962018355139, var=0.6498650718242954, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing + Total Standard Deviation in ln(k): 1.776100374050715"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing +Total Standard Deviation in ln(k): 1.776100374050715""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing +Total Standard Deviation in ln(k): 1.776100374050715 +""", +) + +entry( + index = 3353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.25531e-10,'m^3/(mol*s)'), n=4.24948, w0=(411,'kJ/mol'), E0=(12.6626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07807327248025554, var=1.6910269861945928, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.8031113412663227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.8031113412663227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.8031113412663227 +""", +) + +entry( + index = 3354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(3.05667e-16,'m^3/(mol*s)'), n=6.18759, w0=(411,'kJ/mol'), E0=(4.66839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17968431259737336, var=2.253550267197293, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing + Total Standard Deviation in ln(k): 3.4609422514581003"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.4609422514581003""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.4609422514581003 +""", +) + +entry( + index = 3355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.93933e-14,'m^3/(mol*s)'), n=5.56992, w0=(411,'kJ/mol'), E0=(0.0414365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06526912189677186, var=3.1223753102282115, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.706408611275851"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.706408611275851""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.706408611275851 +""", +) + +entry( + index = 3356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.23946e-08,'m^3/(mol*s)'), n=4.03453, w0=(411,'kJ/mol'), E0=(20.8717,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053741918627419345, var=2.8573020709932857, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 3.5237451206988877"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 3.5237451206988877""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 3.5237451206988877 +""", +) + +entry( + index = 3357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(4.35911e-09,'m^3/(mol*s)'), n=4.20048, w0=(411,'kJ/mol'), E0=(17.9581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(1.30286e-09,'m^3/(mol*s)'), n=4.29688, w0=(411,'kJ/mol'), E0=(19.2502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01923312879293219, var=9.416114376062946, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H + Total Standard Deviation in ln(k): 6.199991920899951"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 6.199991920899951""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 6.199991920899951 +""", +) + +entry( + index = 3359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.13711e-10,'m^3/(mol*s)'), n=4.34915, w0=(411,'kJ/mol'), E0=(30.4052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04731905997519308, var=11.210983223586265, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 6.831307752287382"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 6.831307752287382""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 6.831307752287382 +""", +) + +entry( + index = 3360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C", + kinetics = ArrheniusBM(A=(2.18624e-10,'m^3/(mol*s)'), n=4.57701, w0=(411,'kJ/mol'), E0=(25.0148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1087562881088624, var=5.026416227745777, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C + Total Standard Deviation in ln(k): 4.767806981376778"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 4.767806981376778""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 4.767806981376778 +""", +) + +entry( + index = 3361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(4.36134e-10,'m^3/(mol*s)'), n=4.42652, w0=(411,'kJ/mol'), E0=(25.5505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010658668070262544, var=11.851440934675653, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H + Total Standard Deviation in ln(k): 6.928265878364055"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 6.928265878364055""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 6.928265878364055 +""", +) + +entry( + index = 3362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(3.51616e-10,'m^3/(mol*s)'), n=4.58244, w0=(411,'kJ/mol'), E0=(25.7321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.193208552050389, var=18.303447040024565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H + Total Standard Deviation in ln(k): 9.062212085887639"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 9.062212085887639""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 9.062212085887639 +""", +) + +entry( + index = 3363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_N-10R!H->C", + kinetics = ArrheniusBM(A=(4.19647e-09,'m^3/(mol*s)'), n=4.13232, w0=(411,'kJ/mol'), E0=(36.4596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1472330231129041, var=1.2040629846201398, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_N-10R!H->C + Total Standard Deviation in ln(k): 2.5697240863960307"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 2.5697240863960307""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Ext-9R!H-R_N-Sp-7C=4C_N-9R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 2.5697240863960307 +""", +) + +entry( + index = 3364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.92313e-12,'m^3/(mol*s)'), n=5.27339, w0=(411,'kJ/mol'), E0=(9.19359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2781328144558078, var=24.688059600301486, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C + Total Standard Deviation in ln(k): 10.659769466824324"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C +Total Standard Deviation in ln(k): 10.659769466824324""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C +Total Standard Deviation in ln(k): 10.659769466824324 +""", +) + +entry( + index = 3365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.81162e-09,'m^3/(mol*s)'), n=4.40037, w0=(411,'kJ/mol'), E0=(15.809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05183485455899978, var=104.73967629152278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 20.64717902161757"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 20.64717902161757""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 20.64717902161757 +""", +) + +entry( + index = 3366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(2.65963e-10,'m^3/(mol*s)'), n=4.45553, w0=(411,'kJ/mol'), E0=(3.76233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09410780878492463, var=4.063674716142149, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 4.277708668666592"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 4.277708668666592""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 4.277708668666592 +""", +) + +entry( + index = 3367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.05044e-08,'m^3/(mol*s)'), n=3.89649, w0=(411,'kJ/mol'), E0=(4.80731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36874714954064136, var=22.131692327398383, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 10.357642757619612"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 10.357642757619612""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_7CS->C_N-Sp-7C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 10.357642757619612 +""", +) + +entry( + index = 3368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C", + kinetics = ArrheniusBM(A=(2.50549e-20,'m^3/(mol*s)'), n=7.1091, w0=(411,'kJ/mol'), E0=(2.08979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3280810013333204, var=10.324631095082628, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C + Total Standard Deviation in ln(k): 7.265931654504297"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C +Total Standard Deviation in ln(k): 7.265931654504297""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C +Total Standard Deviation in ln(k): 7.265931654504297 +""", +) + +entry( + index = 3369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(3.02543e-20,'m^3/(mol*s)'), n=7.06636, w0=(411,'kJ/mol'), E0=(11.3219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2362388697311282, var=5.525297122429893, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 5.305885363027983"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.305885363027983""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.305885363027983 +""", +) + +entry( + index = 3370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(7.1752e-22,'m^3/(mol*s)'), n=7.57074, w0=(411,'kJ/mol'), E0=(20.47,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28140857171771705, var=1.1886783352093704, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 2.892749721448816"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.892749721448816""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.892749721448816 +""", +) + +entry( + index = 3371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.76367e-19,'m^3/(mol*s)'), n=6.66684, w0=(411,'kJ/mol'), E0=(6.18159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6514271646076579, var=3.396706055841895, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + Total Standard Deviation in ln(k): 5.331509448804651"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.331509448804651""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.331509448804651 +""", +) + +entry( + index = 3372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.32845e-13,'m^3/(mol*s)'), n=5.00569, w0=(411,'kJ/mol'), E0=(25.9143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.4252e-12,'m^3/(mol*s)'), n=4.75175, w0=(411,'kJ/mol'), E0=(63.7918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08968935039522215, var=0.324854211511757, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 1.3679685970315216"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 1.3679685970315216""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 1.3679685970315216 +""", +) + +entry( + index = 3374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C", + kinetics = ArrheniusBM(A=(4.1213e-12,'m^3/(mol*s)'), n=4.82913, w0=(411,'kJ/mol'), E0=(56.0548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19693294320659493, var=3.1614884292289958, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C + Total Standard Deviation in ln(k): 4.059340604991794"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C +Total Standard Deviation in ln(k): 4.059340604991794""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_10R!H->C +Total Standard Deviation in ln(k): 4.059340604991794 +""", +) + +entry( + index = 3375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C", + kinetics = ArrheniusBM(A=(8.19973e-11,'m^3/(mol*s)'), n=4.53492, w0=(411,'kJ/mol'), E0=(69.3375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02642976487945227, var=8.856486609674127, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C + Total Standard Deviation in ln(k): 6.03246792648391"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C +Total Standard Deviation in ln(k): 6.03246792648391""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_Sp-10R!H=9R!H_N-10R!H->C +Total Standard Deviation in ln(k): 6.03246792648391 +""", +) + +entry( + index = 3376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(2.88086e-11,'m^3/(mol*s)'), n=4.45988, w0=(411,'kJ/mol'), E0=(40.218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18718345503747594, var=10.160146022614786, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 6.8604000315414595"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 6.8604000315414595""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 6.8604000315414595 +""", +) + +entry( + index = 3377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.26806e-12,'m^3/(mol*s)'), n=4.75391, w0=(411,'kJ/mol'), E0=(10.848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.034504164419697635, var=23.20076238958152, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R + Total Standard Deviation in ln(k): 9.74293535235525"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 9.74293535235525""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 9.74293535235525 +""", +) + +entry( + index = 3378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(5.42667e-07,'m^3/(mol*s)'), n=3.00796, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2756744197327459, var=130.3065558644804, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_9R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_9R!H-inRing + Total Standard Deviation in ln(k): 23.57708050053292"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 23.57708050053292""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 23.57708050053292 +""", +) + +entry( + index = 3379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(5.69505e-12,'m^3/(mol*s)'), n=4.69948, w0=(411,'kJ/mol'), E0=(39.8999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.059204226784855846, var=18.217817223639297, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_N-9R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 8.705431757694608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 8.705431757694608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 8.705431757694608 +""", +) + +entry( + index = 3380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_9R!H-inRing", + kinetics = ArrheniusBM(A=(3.4135e-13,'m^3/(mol*s)'), n=5.01773, w0=(411,'kJ/mol'), E0=(51.9994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34249759190009904, var=0.08534706036594152, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_9R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_9R!H-inRing + Total Standard Deviation in ln(k): 1.4462144132725268"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_9R!H-inRing +Total Standard Deviation in ln(k): 1.4462144132725268""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_9R!H-inRing +Total Standard Deviation in ln(k): 1.4462144132725268 +""", +) + +entry( + index = 3381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.84555e-12,'m^3/(mol*s)'), n=4.98504, w0=(411,'kJ/mol'), E0=(50.3789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29395625078146376, var=29.52312193881231, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.631348426060974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.631348426060974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.631348426060974 +""", +) + +entry( + index = 3382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.01418e-11,'m^3/(mol*s)'), n=4.5143, w0=(411,'kJ/mol'), E0=(22.5548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040190534671653094, var=197.03354736953733, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-1C-R + Total Standard Deviation in ln(k): 28.24117462430389"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 28.24117462430389""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_Ext-1C-R_N-7CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 28.24117462430389 +""", +) + +entry( + index = 3383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C", + kinetics = ArrheniusBM(A=(7.50701e-10,'m^3/(mol*s)'), n=4.53992, w0=(411,'kJ/mol'), E0=(34.3199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6082977254814255, var=15.439609046947105, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C + Total Standard Deviation in ln(k): 9.405645497593637"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C +Total Standard Deviation in ln(k): 9.405645497593637""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C +Total Standard Deviation in ln(k): 9.405645497593637 +""", +) + +entry( + index = 3384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_Sp-7C=4C", + kinetics = ArrheniusBM(A=(8.08723e-11,'m^3/(mol*s)'), n=4.94547, w0=(411,'kJ/mol'), E0=(35.5036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6707202102456024, var=76.70003476121194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_Sp-7C=4C + Total Standard Deviation in ln(k): 19.242406988790925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_Sp-7C=4C +Total Standard Deviation in ln(k): 19.242406988790925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_Sp-7C=4C +Total Standard Deviation in ln(k): 19.242406988790925 +""", +) + +entry( + index = 3385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_N-Sp-7C=4C", + kinetics = ArrheniusBM(A=(1.04652e-10,'m^3/(mol*s)'), n=4.65679, w0=(411,'kJ/mol'), E0=(27.9032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37925210842572105, var=8.255144946009075, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_N-Sp-7C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_N-Sp-7C=4C + Total Standard Deviation in ln(k): 6.71285306696128"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 6.71285306696128""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_7CS->C_N-Sp-7C=4C +Total Standard Deviation in ln(k): 6.71285306696128 +""", +) + +entry( + index = 3386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_N-7CS->C", + kinetics = ArrheniusBM(A=(1.66423e-12,'m^3/(mol*s)'), n=5.0594, w0=(411,'kJ/mol'), E0=(66.4745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5324715507734582, var=27.396727977315873, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_N-7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_N-7CS->C + Total Standard Deviation in ln(k): 11.831029261266329"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_N-7CS->C +Total Standard Deviation in ln(k): 11.831029261266329""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_8R!H->S_N-7CS->C +Total Standard Deviation in ln(k): 11.831029261266329 +""", +) + +entry( + index = 3387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S", + kinetics = ArrheniusBM(A=(2.75219e-09,'m^3/(mol*s)'), n=4.10843, w0=(411,'kJ/mol'), E0=(44.2505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12287328089350431, var=9.865908025153454, Tref=1000.0, N=114, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S',), comment="""BM rule fitted to 114 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S + Total Standard Deviation in ln(k): 6.605608338871846"""), + rank = 11, + shortDesc = """BM rule fitted to 114 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S +Total Standard Deviation in ln(k): 6.605608338871846""", + longDesc = +""" +BM rule fitted to 114 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S +Total Standard Deviation in ln(k): 6.605608338871846 +""", +) + +entry( + index = 3388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.79239e-12,'m^3/(mol*s)'), n=4.96446, w0=(411,'kJ/mol'), E0=(31.9177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13243842386151497, var=9.142363693475646, Tref=1000.0, N=84, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 84 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 6.394345373735073"""), + rank = 11, + shortDesc = """BM rule fitted to 84 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 6.394345373735073""", + longDesc = +""" +BM rule fitted to 84 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 6.394345373735073 +""", +) + +entry( + index = 3389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C", + kinetics = ArrheniusBM(A=(5.40507e-16,'m^3/(mol*s)'), n=5.99244, w0=(411,'kJ/mol'), E0=(24.1891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27406138408555153, var=11.882217333212072, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C + Total Standard Deviation in ln(k): 7.5990369941050355"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C +Total Standard Deviation in ln(k): 7.5990369941050355""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C +Total Standard Deviation in ln(k): 7.5990369941050355 +""", +) + +entry( + index = 3390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.73309e-12,'m^3/(mol*s)'), n=4.89586, w0=(411,'kJ/mol'), E0=(29.3914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13798621308684117, var=11.165272138200923, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R + Total Standard Deviation in ln(k): 7.045416263245886"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R +Total Standard Deviation in ln(k): 7.045416263245886""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R +Total Standard Deviation in ln(k): 7.045416263245886 +""", +) + +entry( + index = 3391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C", + kinetics = ArrheniusBM(A=(0.000415485,'m^3/(mol*s)'), n=2.64519, w0=(411,'kJ/mol'), E0=(53.9462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06264147875485053, var=12.761906325688418, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C + Total Standard Deviation in ln(k): 7.3190682394679705"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C +Total Standard Deviation in ln(k): 7.3190682394679705""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C +Total Standard Deviation in ln(k): 7.3190682394679705 +""", +) + +entry( + index = 3392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(8.67763e-10,'m^3/(mol*s)'), n=4.226, w0=(411,'kJ/mol'), E0=(42.2831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13649212117892842, var=10.978299693384997, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R + Total Standard Deviation in ln(k): 6.985337466987485"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 6.985337466987485""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 6.985337466987485 +""", +) + +entry( + index = 3393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C", + kinetics = ArrheniusBM(A=(1.37591e-12,'m^3/(mol*s)'), n=4.99405, w0=(411,'kJ/mol'), E0=(34.4018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2340189440862186, var=13.16914387397274, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C + Total Standard Deviation in ln(k): 7.863033579888083"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C +Total Standard Deviation in ln(k): 7.863033579888083""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C +Total Standard Deviation in ln(k): 7.863033579888083 +""", +) + +entry( + index = 3394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(8.08475e-12,'m^3/(mol*s)'), n=4.70451, w0=(411,'kJ/mol'), E0=(48.5371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14725716918796553, var=24.686867670406954, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 10.33069572912458"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 10.33069572912458""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 10.33069572912458 +""", +) + +entry( + index = 3395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C", + kinetics = ArrheniusBM(A=(1.49086e-11,'m^3/(mol*s)'), n=4.59414, w0=(411,'kJ/mol'), E0=(51.3122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07286226815335381, var=55.91683752214669, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C + Total Standard Deviation in ln(k): 15.173991144398194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C +Total Standard Deviation in ln(k): 15.173991144398194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C +Total Standard Deviation in ln(k): 15.173991144398194 +""", +) + +entry( + index = 3396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C", + kinetics = ArrheniusBM(A=(3.14771e-11,'m^3/(mol*s)'), n=4.56959, w0=(411,'kJ/mol'), E0=(47.8964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16965741920920907, var=107.67156554829556, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C + Total Standard Deviation in ln(k): 21.228390417866454"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C +Total Standard Deviation in ln(k): 21.228390417866454""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C +Total Standard Deviation in ln(k): 21.228390417866454 +""", +) + +entry( + index = 3397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Sp-11C=8C", + kinetics = ArrheniusBM(A=(1.19e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(34.7272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.275957200481675e-15, var=4.070583900698658e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Sp-11C=8C + Total Standard Deviation in ln(k): 4.616539506112442e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Sp-11C=8C +Total Standard Deviation in ln(k): 4.616539506112442e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_Sp-11C=8C +Total Standard Deviation in ln(k): 4.616539506112442e-14 +""", +) + +entry( + index = 3398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C", + kinetics = ArrheniusBM(A=(4.33215e-13,'m^3/(mol*s)'), n=5.25658, w0=(411,'kJ/mol'), E0=(23.1497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6330112202581575, var=13.427315558440412, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C + Total Standard Deviation in ln(k): 8.936491669924084"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C +Total Standard Deviation in ln(k): 8.936491669924084""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C +Total Standard Deviation in ln(k): 8.936491669924084 +""", +) + +entry( + index = 3399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_8C-inRing", + kinetics = ArrheniusBM(A=(2.58781e-12,'m^3/(mol*s)'), n=4.98396, w0=(411,'kJ/mol'), E0=(27.2938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5279682567465005, var=37.994717092711454, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_8C-inRing + Total Standard Deviation in ln(k): 13.683711332673374"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_8C-inRing +Total Standard Deviation in ln(k): 13.683711332673374""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_8C-inRing +Total Standard Deviation in ln(k): 13.683711332673374 +""", +) + +entry( + index = 3400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_N-8C-inRing", + kinetics = ArrheniusBM(A=(1.00814e-10,'m^3/(mol*s)'), n=4.62867, w0=(411,'kJ/mol'), E0=(26.8491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22876450406568358, var=35.09194467365451, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_N-8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_N-8C-inRing + Total Standard Deviation in ln(k): 12.450525911851322"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_N-8C-inRing +Total Standard Deviation in ln(k): 12.450525911851322""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_11R!H->C_N-Sp-11C=8C_N-8C-inRing +Total Standard Deviation in ln(k): 12.450525911851322 +""", +) + +entry( + index = 3401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_N-11R!H->C", + kinetics = ArrheniusBM(A=(3.41848e-09,'m^3/(mol*s)'), n=4.22607, w0=(411,'kJ/mol'), E0=(49.0307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07601963101441227, var=16.065135846699263, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_N-11R!H->C + Total Standard Deviation in ln(k): 8.226250343715062"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_N-11R!H->C +Total Standard Deviation in ln(k): 8.226250343715062""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_7CS->C_Ext-8C-R_N-11R!H->C +Total Standard Deviation in ln(k): 8.226250343715062 +""", +) + +entry( + index = 3402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C", + kinetics = ArrheniusBM(A=(3.75408e-17,'m^3/(mol*s)'), n=6.082, w0=(411,'kJ/mol'), E0=(0.559162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21985025033139066, var=10.196662596933953, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C + Total Standard Deviation in ln(k): 6.953950416022084"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C +Total Standard Deviation in ln(k): 6.953950416022084""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C +Total Standard Deviation in ln(k): 6.953950416022084 +""", +) + +entry( + index = 3403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(3.33436e-14,'m^3/(mol*s)'), n=5.18853, w0=(411,'kJ/mol'), E0=(18.7782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34026014480675243, var=9.642027045433144, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R + Total Standard Deviation in ln(k): 7.079950877853713"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 7.079950877853713""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 7.079950877853713 +""", +) + +entry( + index = 3404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.6293e-06,'m^3/(mol*s)'), n=2.85257, w0=(411,'kJ/mol'), E0=(0.854326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17465642337763068, var=4.552448480698668, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 4.716231729753683"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 4.716231729753683""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 4.716231729753683 +""", +) + +entry( + index = 3405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_Sp-11R!H=8C", + kinetics = ArrheniusBM(A=(0.0003218,'m^3/(mol*s)'), n=2.12104, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2803206483395549, var=12.53518364442977, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_Sp-11R!H=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_Sp-11R!H=8C + Total Standard Deviation in ln(k): 7.802100064137628"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_Sp-11R!H=8C +Total Standard Deviation in ln(k): 7.802100064137628""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_Sp-11R!H=8C +Total Standard Deviation in ln(k): 7.802100064137628 +""", +) + +entry( + index = 3406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_N-Sp-11R!H=8C", + kinetics = ArrheniusBM(A=(8.24925e-09,'m^3/(mol*s)'), n=3.58411, w0=(411,'kJ/mol'), E0=(5.69385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18599442220908521, var=20.914935869331806, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_N-Sp-11R!H=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_N-Sp-11R!H=8C + Total Standard Deviation in ln(k): 9.635547566324734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_N-Sp-11R!H=8C +Total Standard Deviation in ln(k): 9.635547566324734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_Ext-9R!H-R_N-Sp-11R!H=8C +Total Standard Deviation in ln(k): 9.635547566324734 +""", +) + +entry( + index = 3407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C", + kinetics = ArrheniusBM(A=(1.85695e-20,'m^3/(mol*s)'), n=6.97821, w0=(411,'kJ/mol'), E0=(5.57115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3027096992192376, var=13.150279301530126, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C + Total Standard Deviation in ln(k): 8.030410860079913"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C +Total Standard Deviation in ln(k): 8.030410860079913""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C +Total Standard Deviation in ln(k): 8.030410860079913 +""", +) + +entry( + index = 3408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(7.30495e-14,'m^3/(mol*s)'), n=5.09789, w0=(411,'kJ/mol'), E0=(16.896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.041819109646682624, var=110.64013718906939, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_8C-inRing + Total Standard Deviation in ln(k): 21.192002453115293"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_8C-inRing +Total Standard Deviation in ln(k): 21.192002453115293""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_8C-inRing +Total Standard Deviation in ln(k): 21.192002453115293 +""", +) + +entry( + index = 3409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(3.36274e-13,'m^3/(mol*s)'), n=4.89413, w0=(411,'kJ/mol'), E0=(46.3625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12749552642663275, var=4.99963688799997, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 4.802901652551665"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 4.802901652551665""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 4.802901652551665 +""", +) + +entry( + index = 3410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_Sp-11C=8C", + kinetics = ArrheniusBM(A=(3.36934e-12,'m^3/(mol*s)'), n=4.45393, w0=(411,'kJ/mol'), E0=(47.8274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030981508292480208, var=16.051894013434058, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_Sp-11C=8C + Total Standard Deviation in ln(k): 8.109776986538787"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_Sp-11C=8C +Total Standard Deviation in ln(k): 8.109776986538787""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_Sp-11C=8C +Total Standard Deviation in ln(k): 8.109776986538787 +""", +) + +entry( + index = 3411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_N-Sp-11C=8C", + kinetics = ArrheniusBM(A=(3.90035e-12,'m^3/(mol*s)'), n=4.7426, w0=(411,'kJ/mol'), E0=(50.3754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15591674000069378, var=1.9854239005665062, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_N-Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_N-Sp-11C=8C + Total Standard Deviation in ln(k): 3.216523985199742"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_N-Sp-11C=8C +Total Standard Deviation in ln(k): 3.216523985199742""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_11R!H->C_N-8C-inRing_N-Sp-11C=8C +Total Standard Deviation in ln(k): 3.216523985199742 +""", +) + +entry( + index = 3412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_N-11R!H->C", + kinetics = ArrheniusBM(A=(2.73e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(29.7064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6653345369372945e-16, var=1.760207524532602e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_N-11R!H->C + Total Standard Deviation in ln(k): 2.7015809918456387e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_N-11R!H->C +Total Standard Deviation in ln(k): 2.7015809918456387e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-1C-R_N-7CS->C_Ext-8C-R_N-11R!H->C +Total Standard Deviation in ln(k): 2.7015809918456387e-14 +""", +) + +entry( + index = 3413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R", + kinetics = ArrheniusBM(A=(2.24084e-22,'m^3/(mol*s)'), n=7.89351, w0=(411,'kJ/mol'), E0=(5.58184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47396550462631565, var=14.159922973532487, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R + Total Standard Deviation in ln(k): 8.73462066282906"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R +Total Standard Deviation in ln(k): 8.73462066282906""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R +Total Standard Deviation in ln(k): 8.73462066282906 +""", +) + +entry( + index = 3414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C", + kinetics = ArrheniusBM(A=(3.18877e-23,'m^3/(mol*s)'), n=8.13768, w0=(411,'kJ/mol'), E0=(4.87841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5225462668581815, var=12.101529558553842, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C + Total Standard Deviation in ln(k): 8.286852907805441"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C +Total Standard Deviation in ln(k): 8.286852907805441""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C +Total Standard Deviation in ln(k): 8.286852907805441 +""", +) + +entry( + index = 3415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(4.22643e-19,'m^3/(mol*s)'), n=6.88201, w0=(411,'kJ/mol'), E0=(11.5129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2526697704256715, var=19.612389583143468, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 9.512993903150992"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 9.512993903150992""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 9.512993903150992 +""", +) + +entry( + index = 3416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C", + kinetics = ArrheniusBM(A=(4.55482e-19,'m^3/(mol*s)'), n=6.7782, w0=(411,'kJ/mol'), E0=(0.049219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21512351980324274, var=10.847568454767844, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C + Total Standard Deviation in ln(k): 7.143236046645294"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C +Total Standard Deviation in ln(k): 7.143236046645294""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C +Total Standard Deviation in ln(k): 7.143236046645294 +""", +) + +entry( + index = 3417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_7CS->C", + kinetics = ArrheniusBM(A=(2.45416e-10,'m^3/(mol*s)'), n=4.45095, w0=(411,'kJ/mol'), E0=(33.9314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023824196635350788, var=14.480226465616626, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_7CS->C + Total Standard Deviation in ln(k): 7.688456679551016"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_7CS->C +Total Standard Deviation in ln(k): 7.688456679551016""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_7CS->C +Total Standard Deviation in ln(k): 7.688456679551016 +""", +) + +entry( + index = 3418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_N-7CS->C", + kinetics = ArrheniusBM(A=(5.95247e-12,'m^3/(mol*s)'), n=4.56488, w0=(411,'kJ/mol'), E0=(52.1954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0475225407832787, var=27.80396403979654, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_N-7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_N-7CS->C + Total Standard Deviation in ln(k): 10.690264035609935"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_N-7CS->C +Total Standard Deviation in ln(k): 10.690264035609935""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_Sp-10C=8C_N-7CS->C +Total Standard Deviation in ln(k): 10.690264035609935 +""", +) + +entry( + index = 3419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C", + kinetics = ArrheniusBM(A=(4.18391e-09,'m^3/(mol*s)'), n=4.11261, w0=(411,'kJ/mol'), E0=(42.4847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3512570126599492, var=50.43506688384022, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C + Total Standard Deviation in ln(k): 15.119712823585775"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C +Total Standard Deviation in ln(k): 15.119712823585775""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C +Total Standard Deviation in ln(k): 15.119712823585775 +""", +) + +entry( + index = 3420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_7CS->C", + kinetics = ArrheniusBM(A=(1.29583e-11,'m^3/(mol*s)'), n=4.96666, w0=(411,'kJ/mol'), E0=(46.178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4621288339336559, var=171.4126666349721, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_7CS->C + Total Standard Deviation in ln(k): 27.408053614829257"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_7CS->C +Total Standard Deviation in ln(k): 27.408053614829257""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_7CS->C +Total Standard Deviation in ln(k): 27.408053614829257 +""", +) + +entry( + index = 3421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_N-7CS->C", + kinetics = ArrheniusBM(A=(5.90687e-13,'m^3/(mol*s)'), n=5.08059, w0=(411,'kJ/mol'), E0=(15.5169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02994833579437514, var=89.43973185189462, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_N-7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_N-7CS->C + Total Standard Deviation in ln(k): 19.034544238567566"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_N-7CS->C +Total Standard Deviation in ln(k): 19.034544238567566""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_Ext-9R!H-R_N-Sp-10C=8C_N-7CS->C +Total Standard Deviation in ln(k): 19.034544238567566 +""", +) + +entry( + index = 3422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C", + kinetics = ArrheniusBM(A=(8.1887e-10,'m^3/(mol*s)'), n=4.49236, w0=(411,'kJ/mol'), E0=(38.9757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29714869115236264, var=11.502033468060514, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C + Total Standard Deviation in ln(k): 7.545593193568923"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C +Total Standard Deviation in ln(k): 7.545593193568923""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C +Total Standard Deviation in ln(k): 7.545593193568923 +""", +) + +entry( + index = 3423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_8C-inRing", + kinetics = ArrheniusBM(A=(7.76745e-11,'m^3/(mol*s)'), n=4.77453, w0=(411,'kJ/mol'), E0=(37.0768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41147569297532555, var=79.8658726482845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_8C-inRing + Total Standard Deviation in ln(k): 18.94971646196041"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_8C-inRing +Total Standard Deviation in ln(k): 18.94971646196041""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_8C-inRing +Total Standard Deviation in ln(k): 18.94971646196041 +""", +) + +entry( + index = 3424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(3.00697e-09,'m^3/(mol*s)'), n=4.33596, w0=(411,'kJ/mol'), E0=(40.0494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2450717351675433, var=11.769197360372162, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing + Total Standard Deviation in ln(k): 7.493255170337862"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing +Total Standard Deviation in ln(k): 7.493255170337862""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing +Total Standard Deviation in ln(k): 7.493255170337862 +""", +) + +entry( + index = 3425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_Sp-10C=8C", + kinetics = ArrheniusBM(A=(1.08407e-10,'m^3/(mol*s)'), n=4.73375, w0=(411,'kJ/mol'), E0=(41.1851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2949972491952125, var=29.265082234481277, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_Sp-10C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_Sp-10C=8C + Total Standard Deviation in ln(k): 11.58625673974674"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_Sp-10C=8C +Total Standard Deviation in ln(k): 11.58625673974674""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_Sp-10C=8C +Total Standard Deviation in ln(k): 11.58625673974674 +""", +) + +entry( + index = 3426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_N-Sp-10C=8C", + kinetics = ArrheniusBM(A=(4.02943e-10,'m^3/(mol*s)'), n=4.60172, w0=(411,'kJ/mol'), E0=(33.0556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24785543054873235, var=42.522340523844406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_N-Sp-10C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_N-Sp-10C=8C + Total Standard Deviation in ln(k): 13.695460618308665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_N-Sp-10C=8C +Total Standard Deviation in ln(k): 13.695460618308665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_7CS->C_N-8C-inRing_N-Sp-10C=8C +Total Standard Deviation in ln(k): 13.695460618308665 +""", +) + +entry( + index = 3427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C", + kinetics = ArrheniusBM(A=(4.26606e-12,'m^3/(mol*s)'), n=4.85253, w0=(411,'kJ/mol'), E0=(57.7707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2809970040160348, var=2.2238004207063486, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C + Total Standard Deviation in ln(k): 3.695566235643511"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C +Total Standard Deviation in ln(k): 3.695566235643511""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C +Total Standard Deviation in ln(k): 3.695566235643511 +""", +) + +entry( + index = 3428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_8C-inRing", + kinetics = ArrheniusBM(A=(2.6343e-12,'m^3/(mol*s)'), n=4.88846, w0=(411,'kJ/mol'), E0=(56.5413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33255307735059, var=22.52309875299757, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_8C-inRing + Total Standard Deviation in ln(k): 10.349733842208263"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_8C-inRing +Total Standard Deviation in ln(k): 10.349733842208263""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_8C-inRing +Total Standard Deviation in ln(k): 10.349733842208263 +""", +) + +entry( + index = 3429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(4.41527e-12,'m^3/(mol*s)'), n=4.86028, w0=(411,'kJ/mol'), E0=(58.1639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24896651527733352, var=1.3138227984688589, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing + Total Standard Deviation in ln(k): 2.923413643695325"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing +Total Standard Deviation in ln(k): 2.923413643695325""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing +Total Standard Deviation in ln(k): 2.923413643695325 +""", +) + +entry( + index = 3430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_Sp-10C=8C", + kinetics = ArrheniusBM(A=(3.67412e-12,'m^3/(mol*s)'), n=4.84768, w0=(411,'kJ/mol'), E0=(56.8639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2419259841324084, var=3.0105822651297096, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_Sp-10C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_Sp-10C=8C + Total Standard Deviation in ln(k): 4.0862759886600015"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_Sp-10C=8C +Total Standard Deviation in ln(k): 4.0862759886600015""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_Sp-10C=8C +Total Standard Deviation in ln(k): 4.0862759886600015 +""", +) + +entry( + index = 3431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_N-Sp-10C=8C", + kinetics = ArrheniusBM(A=(1.87722e-11,'m^3/(mol*s)'), n=4.71565, w0=(411,'kJ/mol'), E0=(60.8077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22003216184074437, var=5.8652221266469695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_N-Sp-10C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_N-Sp-10C=8C + Total Standard Deviation in ln(k): 5.407956277672032"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_N-Sp-10C=8C +Total Standard Deviation in ln(k): 5.407956277672032""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_10R!H->C_N-7CS->C_N-8C-inRing_N-Sp-10C=8C +Total Standard Deviation in ln(k): 5.407956277672032 +""", +) + +entry( + index = 3432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.29608e-06,'m^3/(mol*s)'), n=3.28409, w0=(411,'kJ/mol'), E0=(48.0341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.049231562544199615, var=49.329268089515764, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C + Total Standard Deviation in ln(k): 14.20391365502947"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C +Total Standard Deviation in ln(k): 14.20391365502947""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C +Total Standard Deviation in ln(k): 14.20391365502947 +""", +) + +entry( + index = 3433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_7CS->C", + kinetics = ArrheniusBM(A=(5.1056e-11,'m^3/(mol*s)'), n=4.70599, w0=(411,'kJ/mol'), E0=(44.3885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.232797584749256, var=117.92338120665053, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_7CS->C + Total Standard Deviation in ln(k): 22.354844464675026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_7CS->C +Total Standard Deviation in ln(k): 22.354844464675026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_7CS->C +Total Standard Deviation in ln(k): 22.354844464675026 +""", +) + +entry( + index = 3434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_N-7CS->C", + kinetics = ArrheniusBM(A=(8.01137e-11,'m^3/(mol*s)'), n=4.4724, w0=(411,'kJ/mol'), E0=(15.4605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15364454066971, var=117.38945162415067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_N-7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_N-7CS->C + Total Standard Deviation in ln(k): 22.10662698057251"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_N-7CS->C +Total Standard Deviation in ln(k): 22.10662698057251""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_Ext-8C-R_N-10R!H->C_N-7CS->C +Total Standard Deviation in ln(k): 22.10662698057251 +""", +) + +entry( + index = 3435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_7CS->C", + kinetics = ArrheniusBM(A=(1.98325e-09,'m^3/(mol*s)'), n=4.46865, w0=(411,'kJ/mol'), E0=(33.1932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15189153875621467, var=34.40282283373842, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_7CS->C + Total Standard Deviation in ln(k): 12.140194035100732"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_7CS->C +Total Standard Deviation in ln(k): 12.140194035100732""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_7CS->C +Total Standard Deviation in ln(k): 12.140194035100732 +""", +) + +entry( + index = 3436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_N-7CS->C", + kinetics = ArrheniusBM(A=(9.40044e-11,'m^3/(mol*s)'), n=4.58258, w0=(411,'kJ/mol'), E0=(46.1254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19796153709548558, var=91.35196614334558, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_N-7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_N-7CS->C + Total Standard Deviation in ln(k): 19.65829232277668"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_N-7CS->C +Total Standard Deviation in ln(k): 19.65829232277668""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_Sp-7CS=4C_N-7CS->C +Total Standard Deviation in ln(k): 19.65829232277668 +""", +) + +entry( + index = 3437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C", + kinetics = ArrheniusBM(A=(6.86524e-06,'m^3/(mol*s)'), n=3.03973, w0=(411,'kJ/mol'), E0=(44.6005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16779872166614504, var=4.681195848524101, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C + Total Standard Deviation in ln(k): 4.759063951981842"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C +Total Standard Deviation in ln(k): 4.759063951981842""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C +Total Standard Deviation in ln(k): 4.759063951981842 +""", +) + +entry( + index = 3438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.25314e-05,'m^3/(mol*s)'), n=2.80546, w0=(411,'kJ/mol'), E0=(43.7746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25382533167298615, var=6.204633803852686, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R + Total Standard Deviation in ln(k): 5.631367214397267"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R +Total Standard Deviation in ln(k): 5.631367214397267""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R +Total Standard Deviation in ln(k): 5.631367214397267 +""", +) + +entry( + index = 3439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_8C-inRing", + kinetics = ArrheniusBM(A=(3.35182e-12,'m^3/(mol*s)'), n=4.69529, w0=(411,'kJ/mol'), E0=(20.6264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2661744312005371, var=0.06934258563384169, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_8C-inRing + Total Standard Deviation in ln(k): 1.1966864727374735"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_8C-inRing +Total Standard Deviation in ln(k): 1.1966864727374735""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_8C-inRing +Total Standard Deviation in ln(k): 1.1966864727374735 +""", +) + +entry( + index = 3440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing", + kinetics = ArrheniusBM(A=(0.00010421,'m^3/(mol*s)'), n=2.62595, w0=(411,'kJ/mol'), E0=(46.5139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32437550636746454, var=7.409666611262173, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing + Total Standard Deviation in ln(k): 6.272043609279744"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing +Total Standard Deviation in ln(k): 6.272043609279744""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing +Total Standard Deviation in ln(k): 6.272043609279744 +""", +) + +entry( + index = 3441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R", + kinetics = ArrheniusBM(A=(4.27505e-15,'m^3/(mol*s)'), n=5.55906, w0=(411,'kJ/mol'), E0=(23.1116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009620260522116406, var=6.051862773967231, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R + Total Standard Deviation in ln(k): 4.9559268696600505"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R +Total Standard Deviation in ln(k): 4.9559268696600505""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R +Total Standard Deviation in ln(k): 4.9559268696600505 +""", +) + +entry( + index = 3442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C", + kinetics = ArrheniusBM(A=(2.8259e-11,'m^3/(mol*s)'), n=4.42931, w0=(411,'kJ/mol'), E0=(29.9618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06261875377491982, var=7.732720113077389, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C + Total Standard Deviation in ln(k): 5.7320545263917335"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C +Total Standard Deviation in ln(k): 5.7320545263917335""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C +Total Standard Deviation in ln(k): 5.7320545263917335 +""", +) + +entry( + index = 3443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.42956e-09,'m^3/(mol*s)'), n=3.91731, w0=(411,'kJ/mol'), E0=(39.5722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11376639556877463, var=10.61796138957172, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 6.818317266138256"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.818317266138256""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.818317266138256 +""", +) + +entry( + index = 3444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C", + kinetics = ArrheniusBM(A=(1.93106e-11,'m^3/(mol*s)'), n=4.30546, w0=(411,'kJ/mol'), E0=(19.4696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09012042522215012, var=42.52476046183071, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C + Total Standard Deviation in ln(k): 13.299513486776608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C +Total Standard Deviation in ln(k): 13.299513486776608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_Sp-11C=8C +Total Standard Deviation in ln(k): 13.299513486776608 +""", +) + +entry( + index = 3445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C", + kinetics = ArrheniusBM(A=(2.51651e-10,'m^3/(mol*s)'), n=4.28092, w0=(411,'kJ/mol'), E0=(52.4052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03744362967189543, var=20.066545441210508, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C + Total Standard Deviation in ln(k): 9.07443014725167"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C +Total Standard Deviation in ln(k): 9.07443014725167""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Ext-9R!H-R_N-Sp-11C=8C +Total Standard Deviation in ln(k): 9.07443014725167 +""", +) + +entry( + index = 3446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Sp-11C=8C", + kinetics = ArrheniusBM(A=(1.54367e-10,'m^3/(mol*s)'), n=4.05133, w0=(411,'kJ/mol'), E0=(27.9009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20508313176402168, var=35.09557753416042, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Sp-11C=8C + Total Standard Deviation in ln(k): 12.391639672945637"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Sp-11C=8C +Total Standard Deviation in ln(k): 12.391639672945637""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_Sp-11C=8C +Total Standard Deviation in ln(k): 12.391639672945637 +""", +) + +entry( + index = 3447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_N-Sp-11C=8C", + kinetics = ArrheniusBM(A=(3.24e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(25.9408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.6645352591002305e-15, var=5.695575735695676e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_N-Sp-11C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_N-Sp-11C=8C + Total Standard Deviation in ln(k): 5.4538627494259956e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_N-Sp-11C=8C +Total Standard Deviation in ln(k): 5.4538627494259956e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_11R!H->C_N-Sp-11C=8C +Total Standard Deviation in ln(k): 5.4538627494259956e-14 +""", +) + +entry( + index = 3448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_N-11R!H->C", + kinetics = ArrheniusBM(A=(6.05948e-09,'m^3/(mol*s)'), n=3.9374, w0=(411,'kJ/mol'), E0=(52.6741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37100582383852093, var=1.931610561345318, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_N-11R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_N-11R!H->C + Total Standard Deviation in ln(k): 3.718404224219165"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_N-11R!H->C +Total Standard Deviation in ln(k): 3.718404224219165""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-1C-R_N-8C-inRing_Ext-8C-R_N-11R!H->C +Total Standard Deviation in ln(k): 3.718404224219165 +""", +) + +entry( + index = 3449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R", + kinetics = ArrheniusBM(A=(4.76274e-11,'m^3/(mol*s)'), n=4.59221, w0=(411,'kJ/mol'), E0=(35.3754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07421574700054168, var=4.157033560361891, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R + Total Standard Deviation in ln(k): 4.273886917750726"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R +Total Standard Deviation in ln(k): 4.273886917750726""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R +Total Standard Deviation in ln(k): 4.273886917750726 +""", +) + +entry( + index = 3450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.54454e-09,'m^3/(mol*s)'), n=4.0915, w0=(411,'kJ/mol'), E0=(41.7351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24918670513240732, var=10.614548776863364, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 7.157519447621985"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 7.157519447621985""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 7.157519447621985 +""", +) + +entry( + index = 3451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_Sp-10R!H=8C", + kinetics = ArrheniusBM(A=(3.18366e-10,'m^3/(mol*s)'), n=4.16228, w0=(411,'kJ/mol'), E0=(25.7345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10749425423901322, var=4.079300280129703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_Sp-10R!H=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_Sp-10R!H=8C + Total Standard Deviation in ln(k): 4.319105180786973"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_Sp-10R!H=8C +Total Standard Deviation in ln(k): 4.319105180786973""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_Sp-10R!H=8C +Total Standard Deviation in ln(k): 4.319105180786973 +""", +) + +entry( + index = 3452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_N-Sp-10R!H=8C", + kinetics = ArrheniusBM(A=(1.03348e-10,'m^3/(mol*s)'), n=4.67798, w0=(411,'kJ/mol'), E0=(50.9375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23418649387443585, var=50.75792340304846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_N-Sp-10R!H=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_N-Sp-10R!H=8C + Total Standard Deviation in ln(k): 14.871062176381125"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_N-Sp-10R!H=8C +Total Standard Deviation in ln(k): 14.871062176381125""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Ext-9R!H-R_N-Sp-10R!H=8C +Total Standard Deviation in ln(k): 14.871062176381125 +""", +) + +entry( + index = 3453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Sp-10R!H#8C", + kinetics = ArrheniusBM(A=(1.29674e-09,'m^3/(mol*s)'), n=4.31305, w0=(411,'kJ/mol'), E0=(32.1736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009511683807597914, var=0.4447875345930638, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Sp-10R!H#8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Sp-10R!H#8C + Total Standard Deviation in ln(k): 1.3609045087567258"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Sp-10R!H#8C +Total Standard Deviation in ln(k): 1.3609045087567258""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_Sp-10R!H#8C +Total Standard Deviation in ln(k): 1.3609045087567258 +""", +) + +entry( + index = 3454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C", + kinetics = ArrheniusBM(A=(3.51725e-13,'m^3/(mol*s)'), n=5.16276, w0=(411,'kJ/mol'), E0=(30.9903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2832119695864076, var=5.532083503351049, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C + Total Standard Deviation in ln(k): 5.4268012648340935"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C +Total Standard Deviation in ln(k): 5.4268012648340935""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C +Total Standard Deviation in ln(k): 5.4268012648340935 +""", +) + +entry( + index = 3455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C", + kinetics = ArrheniusBM(A=(2.67909e-10,'m^3/(mol*s)'), n=4.36434, w0=(411,'kJ/mol'), E0=(33.2149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10194710011903221, var=1.5600309148249223, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C + Total Standard Deviation in ln(k): 2.7600866120372913"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C +Total Standard Deviation in ln(k): 2.7600866120372913""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C +Total Standard Deviation in ln(k): 2.7600866120372913 +""", +) + +entry( + index = 3456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(1.00606e-10,'m^3/(mol*s)'), n=4.48585, w0=(411,'kJ/mol'), E0=(30.4139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15554244761973782, var=9.131283873793654, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_8C-inRing + Total Standard Deviation in ln(k): 6.448721490701336"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_8C-inRing +Total Standard Deviation in ln(k): 6.448721490701336""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_8C-inRing +Total Standard Deviation in ln(k): 6.448721490701336 +""", +) + +entry( + index = 3457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(1.40428e-10,'m^3/(mol*s)'), n=4.44507, w0=(411,'kJ/mol'), E0=(34.224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06476124376968113, var=0.19937726192043564, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_N-8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 1.0578646052328793"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 1.0578646052328793""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_10R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 1.0578646052328793 +""", +) + +entry( + index = 3458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_N-10R!H->C", + kinetics = ArrheniusBM(A=(9.07337e-11,'m^3/(mol*s)'), n=4.41732, w0=(411,'kJ/mol'), E0=(47.1074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04142248889933521, var=30.454640805535888, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_N-10R!H->C + Total Standard Deviation in ln(k): 11.167352176698522"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_N-10R!H->C +Total Standard Deviation in ln(k): 11.167352176698522""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Ext-1C-R_N-Sp-7CS=4C_Ext-8C-R_N-Sp-10R!H#8C_N-10R!H->C +Total Standard Deviation in ln(k): 11.167352176698522 +""", +) + +entry( + index = 3459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C", + kinetics = ArrheniusBM(A=(3.03504e-06,'m^3/(mol*s)'), n=3.43091, w0=(411,'kJ/mol'), E0=(68.5936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.300592198071862, var=18.427074314518062, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C + Total Standard Deviation in ln(k): 9.360936583880516"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C +Total Standard Deviation in ln(k): 9.360936583880516""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C +Total Standard Deviation in ln(k): 9.360936583880516 +""", +) + +entry( + index = 3460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C", + kinetics = ArrheniusBM(A=(1.23166e-05,'m^3/(mol*s)'), n=3.37798, w0=(411,'kJ/mol'), E0=(57.4125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3540661432249812, var=14.795593427728363, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C + Total Standard Deviation in ln(k): 8.60083502505057"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C +Total Standard Deviation in ln(k): 8.60083502505057""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C +Total Standard Deviation in ln(k): 8.60083502505057 +""", +) + +entry( + index = 3461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(6.46553e-11,'m^3/(mol*s)'), n=4.85584, w0=(411,'kJ/mol'), E0=(45.2611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49753443087648414, var=16.056335503211145, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R + Total Standard Deviation in ln(k): 9.28313163449571"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.28313163449571""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.28313163449571 +""", +) + +entry( + index = 3462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(3.36691e-09,'m^3/(mol*s)'), n=4.39641, w0=(411,'kJ/mol'), E0=(46.7871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4802771746627429, var=17.96813194216166, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 9.704564683570423"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 9.704564683570423""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 9.704564683570423 +""", +) + +entry( + index = 3463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(2.32237e-11,'m^3/(mol*s)'), n=5.0283, w0=(411,'kJ/mol'), E0=(43.9762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6401472957233413, var=113.16163675878565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_8C-inRing + Total Standard Deviation in ln(k): 22.934272539680457"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 22.934272539680457""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 22.934272539680457 +""", +) + +entry( + index = 3464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(3.12549e-08,'m^3/(mol*s)'), n=4.11283, w0=(411,'kJ/mol'), E0=(47.9039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4208891443623678, var=20.15738203116449, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 10.058164118585449"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 10.058164118585449""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 10.058164118585449 +""", +) + +entry( + index = 3465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C", + kinetics = ArrheniusBM(A=(3.07253e-11,'m^3/(mol*s)'), n=4.90195, w0=(411,'kJ/mol'), E0=(45.1645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4649118924413208, var=54.081147405693166, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C + Total Standard Deviation in ln(k): 15.91091911210417"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C +Total Standard Deviation in ln(k): 15.91091911210417""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C +Total Standard Deviation in ln(k): 15.91091911210417 +""", +) + +entry( + index = 3466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.80816e-10,'m^3/(mol*s)'), n=4.8265, w0=(411,'kJ/mol'), E0=(37.2359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49825327630005484, var=61.66434116467246, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C + Total Standard Deviation in ln(k): 16.994404808812458"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C +Total Standard Deviation in ln(k): 16.994404808812458""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C +Total Standard Deviation in ln(k): 16.994404808812458 +""", +) + +entry( + index = 3467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.70326e-11,'m^3/(mol*s)'), n=4.7982, w0=(411,'kJ/mol'), E0=(53.4161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39663242585316594, var=62.1514753083777, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 16.801134834006326"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 16.801134834006326""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_7CS->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 16.801134834006326 +""", +) + +entry( + index = 3468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C", + kinetics = ArrheniusBM(A=(5.17008e-13,'m^3/(mol*s)'), n=5.24887, w0=(411,'kJ/mol'), E0=(64.2389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44512976348524114, var=13.422950889639257, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C + Total Standard Deviation in ln(k): 8.46323366787625"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C +Total Standard Deviation in ln(k): 8.46323366787625""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C +Total Standard Deviation in ln(k): 8.46323366787625 +""", +) + +entry( + index = 3469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(6.61846e-13,'m^3/(mol*s)'), n=5.18338, w0=(411,'kJ/mol'), E0=(67.8007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4470590955046335, var=9.593732686864882, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R + Total Standard Deviation in ln(k): 7.3326806270783935"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 7.3326806270783935""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R +Total Standard Deviation in ln(k): 7.3326806270783935 +""", +) + +entry( + index = 3470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(8.86371e-13,'m^3/(mol*s)'), n=5.15037, w0=(411,'kJ/mol'), E0=(70.9728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4643027827870621, var=2.9174462990608667, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 4.59078440218251"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 4.59078440218251""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 4.59078440218251 +""", +) + +entry( + index = 3471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(9.41049e-13,'m^3/(mol*s)'), n=5.14223, w0=(411,'kJ/mol'), E0=(70.041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5307012630917631, var=29.47154878379211, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_8C-inRing + Total Standard Deviation in ln(k): 12.216666841418446"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 12.216666841418446""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 12.216666841418446 +""", +) + +entry( + index = 3472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(9.25653e-13,'m^3/(mol*s)'), n=5.14532, w0=(411,'kJ/mol'), E0=(71.5188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42599894457390564, var=1.6243341831202613, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 3.6253713268130077"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 3.6253713268130077""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 3.6253713268130077 +""", +) + +entry( + index = 3473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.24791e-12,'m^3/(mol*s)'), n=5.01588, w0=(411,'kJ/mol'), E0=(70.9156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.401879172292267, var=3.1654886983368953, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C + Total Standard Deviation in ln(k): 4.576535290048268"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C +Total Standard Deviation in ln(k): 4.576535290048268""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_Sp-9C=8C +Total Standard Deviation in ln(k): 4.576535290048268 +""", +) + +entry( + index = 3474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.00841e-11,'m^3/(mol*s)'), n=4.94042, w0=(411,'kJ/mol'), E0=(75.0017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4176308828035737, var=3.1318456565189083, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C + Total Standard Deviation in ln(k): 4.597107778318194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C +Total Standard Deviation in ln(k): 4.597107778318194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_9R!H->C_N-8C-inRing_N-Sp-9C=8C +Total Standard Deviation in ln(k): 4.597107778318194 +""", +) + +entry( + index = 3475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.4008e-12,'m^3/(mol*s)'), n=4.91213, w0=(411,'kJ/mol'), E0=(61.5332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3044308598308448, var=159.65347776805487, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 26.095542726541062"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 26.095542726541062""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_Sp-7CS=4C_N-7CS->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 26.095542726541062 +""", +) + +entry( + index = 3476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C", + kinetics = ArrheniusBM(A=(4.14381e-05,'m^3/(mol*s)'), n=3.00076, w0=(411,'kJ/mol'), E0=(53.5312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0645340959032853, var=3.9422685856072675, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C + Total Standard Deviation in ln(k): 4.142576916038104"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C +Total Standard Deviation in ln(k): 4.142576916038104""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C +Total Standard Deviation in ln(k): 4.142576916038104 +""", +) + +entry( + index = 3477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.03177e-10,'m^3/(mol*s)'), n=4.57906, w0=(411,'kJ/mol'), E0=(41.0114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2326956427231033, var=4.268007497823723, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R + Total Standard Deviation in ln(k): 4.726276001480344"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R +Total Standard Deviation in ln(k): 4.726276001480344""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R +Total Standard Deviation in ln(k): 4.726276001480344 +""", +) + +entry( + index = 3478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(9.85321e-09,'m^3/(mol*s)'), n=4.0437, w0=(411,'kJ/mol'), E0=(42.6782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21115856507737174, var=3.67669739029217, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 4.374571762872773"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 4.374571762872773""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 4.374571762872773 +""", +) + +entry( + index = 3479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_Sp-9C#8C", + kinetics = ArrheniusBM(A=(5.80396e-10,'m^3/(mol*s)'), n=4.53782, w0=(411,'kJ/mol'), E0=(36.6953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21603627718367524, var=3.75743920557699, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_Sp-9C#8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_Sp-9C#8C + Total Standard Deviation in ln(k): 4.428806277203312"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_Sp-9C#8C +Total Standard Deviation in ln(k): 4.428806277203312""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_Sp-9C#8C +Total Standard Deviation in ln(k): 4.428806277203312 +""", +) + +entry( + index = 3480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C", + kinetics = ArrheniusBM(A=(1.34962e-10,'m^3/(mol*s)'), n=4.50671, w0=(411,'kJ/mol'), E0=(39.3941,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28329005888575076, var=4.1628544332247985, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C + Total Standard Deviation in ln(k): 4.8020599530848775"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C +Total Standard Deviation in ln(k): 4.8020599530848775""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C +Total Standard Deviation in ln(k): 4.8020599530848775 +""", +) + +entry( + index = 3481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_8C-inRing", + kinetics = ArrheniusBM(A=(2.99789e-11,'m^3/(mol*s)'), n=4.73963, w0=(411,'kJ/mol'), E0=(37.3128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3763866713687932, var=22.417774255435926, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_8C-inRing + Total Standard Deviation in ln(k): 10.437596925394121"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_8C-inRing +Total Standard Deviation in ln(k): 10.437596925394121""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_8C-inRing +Total Standard Deviation in ln(k): 10.437596925394121 +""", +) + +entry( + index = 3482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_N-8C-inRing", + kinetics = ArrheniusBM(A=(3.96891e-11,'m^3/(mol*s)'), n=4.61328, w0=(411,'kJ/mol'), E0=(38.4927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.216553294727604, var=2.054402489443733, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_N-8C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_N-8C-inRing + Total Standard Deviation in ln(k): 3.4175280261480028"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_N-8C-inRing +Total Standard Deviation in ln(k): 3.4175280261480028""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_9R!H->C_N-Sp-9C#8C_N-8C-inRing +Total Standard Deviation in ln(k): 3.4175280261480028 +""", +) + +entry( + index = 3483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(8.35423e-11,'m^3/(mol*s)'), n=4.50953, w0=(411,'kJ/mol'), E0=(50.8449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13452206749713366, var=0.37170575396485683, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 1.5602355348589536"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 1.5602355348589536""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Ext-1C-R_N-Sp-8R!H=1C_N-8R!H->S_N-Sp-7CS=4C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 1.5602355348589536 +""", +) + +entry( + index = 3484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C", + kinetics = ArrheniusBM(A=(3408.92,'m^3/(mol*s)'), n=1.11914, w0=(411,'kJ/mol'), E0=(99.5416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21955773339839726, var=38.44527074474071, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C + Total Standard Deviation in ln(k): 12.981862179925475"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C +Total Standard Deviation in ln(k): 12.981862179925475""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C +Total Standard Deviation in ln(k): 12.981862179925475 +""", +) + +entry( + index = 3485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_7CS->C", + kinetics = ArrheniusBM(A=(5.61328e-10,'m^3/(mol*s)'), n=4.89163, w0=(411,'kJ/mol'), E0=(44.3447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6915694693912896, var=75.30052119498234, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_7CS->C + Total Standard Deviation in ln(k): 19.133875361793837"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_7CS->C +Total Standard Deviation in ln(k): 19.133875361793837""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_7CS->C +Total Standard Deviation in ln(k): 19.133875361793837 +""", +) + +entry( + index = 3486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_N-7CS->C", + kinetics = ArrheniusBM(A=(3.84305e-11,'m^3/(mol*s)'), n=5.00556, w0=(411,'kJ/mol'), E0=(82.4353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5774041249647287, var=41.30073494599009, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_N-7CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_N-7CS->C + Total Standard Deviation in ln(k): 14.334323986301646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_N-7CS->C +Total Standard Deviation in ln(k): 14.334323986301646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_Sp-7CCSS=4C_N-7CS->C +Total Standard Deviation in ln(k): 14.334323986301646 +""", +) + +entry( + index = 3487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_N-Sp-7CCSS=4C", + kinetics = ArrheniusBM(A=(7.27315e-10,'m^3/(mol*s)'), n=4.60295, w0=(411,'kJ/mol'), E0=(36.2167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3681257201520698, var=7.868276345405468, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_N-Sp-7CCSS=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_N-Sp-7CCSS=4C + Total Standard Deviation in ln(k): 6.548310705081516"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_N-Sp-7CCSS=4C +Total Standard Deviation in ln(k): 6.548310705081516""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R_N-1C-inRing_N-7R!H->O_N-Sp-7CCSS=4C +Total Standard Deviation in ln(k): 6.548310705081516 +""", +) + +entry( + index = 3488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing", + kinetics = ArrheniusBM(A=(4744.2,'m^3/(mol*s)'), n=0.627565, w0=(411,'kJ/mol'), E0=(56.6416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.165559201282906, var=8.012358455300232, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing + Total Standard Deviation in ln(k): 6.090602991788121"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing +Total Standard Deviation in ln(k): 6.090602991788121""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing +Total Standard Deviation in ln(k): 6.090602991788121 +""", +) + +entry( + index = 3489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0007605,'m^3/(mol*s)'), n=2.38076, w0=(411,'kJ/mol'), E0=(40.2674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08694441178676526, var=8.942465115932713, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.2134040063393625"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.2134040063393625""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.2134040063393625 +""", +) + +entry( + index = 3490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.49e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(27.5475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(3.43707e-05,'m^3/(mol*s)'), n=2.87068, w0=(411,'kJ/mol'), E0=(37.4741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02585340422246356, var=4.041799830010484, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 4.095323407251463"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.095323407251463""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.095323407251463 +""", +) + +entry( + index = 3492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000159144,'m^3/(mol*s)'), n=2.69712, w0=(411,'kJ/mol'), E0=(36.3106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019075592680113697, var=4.807997498630211, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.443740581163957"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.443740581163957""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.443740581163957 +""", +) + +entry( + index = 3493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.43e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(28.0795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(7.87e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(30.7501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(1.67182e-07,'m^3/(mol*s)'), n=3.99439, w0=(411,'kJ/mol'), E0=(-39.5997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42784396713905526, var=28.914101039753625, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.854812969893622"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.854812969893622""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_1C-inRing_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.854812969893622 +""", +) + +entry( + index = 3496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(8.84567e-06,'m^3/(mol*s)'), n=3.25341, w0=(411,'kJ/mol'), E0=(45.052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23720963324855543, var=6.98923927148069, Tref=1000.0, N=90, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing',), comment="""BM rule fitted to 90 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing + Total Standard Deviation in ln(k): 5.895956192750274"""), + rank = 11, + shortDesc = """BM rule fitted to 90 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing +Total Standard Deviation in ln(k): 5.895956192750274""", + longDesc = +""" +BM rule fitted to 90 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing +Total Standard Deviation in ln(k): 5.895956192750274 +""", +) + +entry( + index = 3497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.18823e-05,'m^3/(mol*s)'), n=3.12609, w0=(411,'kJ/mol'), E0=(46.6995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2181310499261512, var=7.930427197269714, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.19360525909017"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.19360525909017""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.19360525909017 +""", +) + +entry( + index = 3498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(9.77301e-05,'m^3/(mol*s)'), n=3.01892, w0=(411,'kJ/mol'), E0=(55.3155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5609042645696597, var=18.53187190722066, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 10.039423217613857"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 10.039423217613857""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 10.039423217613857 +""", +) + +entry( + index = 3499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O", + kinetics = ArrheniusBM(A=(0.019816,'m^3/(mol*s)'), n=2.12425, w0=(411,'kJ/mol'), E0=(119.951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32576812274832156, var=91.3378912791736, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O + Total Standard Deviation in ln(k): 19.977938252396584"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O +Total Standard Deviation in ln(k): 19.977938252396584""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O +Total Standard Deviation in ln(k): 19.977938252396584 +""", +) + +entry( + index = 3500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.06745e-05,'m^3/(mol*s)'), n=3.24348, w0=(411,'kJ/mol'), E0=(170.011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O", + kinetics = ArrheniusBM(A=(3.19126e-05,'m^3/(mol*s)'), n=3.17616, w0=(411,'kJ/mol'), E0=(49.4117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4491591224575058, var=9.348658675016324, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O + Total Standard Deviation in ln(k): 7.258133545372288"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O +Total Standard Deviation in ln(k): 7.258133545372288""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O +Total Standard Deviation in ln(k): 7.258133545372288 +""", +) + +entry( + index = 3502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_Ext-7CS-R", + kinetics = ArrheniusBM(A=(1.04055e-10,'m^3/(mol*s)'), n=4.91738, w0=(411,'kJ/mol'), E0=(30.3187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3904769682190517, var=0.14683417211482108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_Ext-7CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_Ext-7CS-R + Total Standard Deviation in ln(k): 1.7492912876394449"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_Ext-7CS-R +Total Standard Deviation in ln(k): 1.7492912876394449""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_Ext-7CS-R +Total Standard Deviation in ln(k): 1.7492912876394449 +""", +) + +entry( + index = 3503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C", + kinetics = ArrheniusBM(A=(7.05186e-11,'m^3/(mol*s)'), n=4.76737, w0=(411,'kJ/mol'), E0=(25.6991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5129310330292937, var=2.8812298410068697, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C + Total Standard Deviation in ln(k): 4.691646011235219"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C +Total Standard Deviation in ln(k): 4.691646011235219""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C +Total Standard Deviation in ln(k): 4.691646011235219 +""", +) + +entry( + index = 3504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.50769e-13,'m^3/(mol*s)'), n=5.46873, w0=(411,'kJ/mol'), E0=(18.4132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8625570838210991, var=3.2916669880445575, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.804410035215177"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.804410035215177""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.804410035215177 +""", +) + +entry( + index = 3505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.7251e-10,'m^3/(mol*s)'), n=4.59792, w0=(411,'kJ/mol'), E0=(29.4063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0050831757703025, var=2.533739853467669, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 5.716416880302115"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.716416880302115""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.716416880302115 +""", +) + +entry( + index = 3506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.42311e-21,'m^3/(mol*s)'), n=7.9468, w0=(411,'kJ/mol'), E0=(6.453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7215823614824471, var=6.86851510968527, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 7.067001046772274"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 7.067001046772274""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 7.067001046772274 +""", +) + +entry( + index = 3507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(9.79468e-11,'m^3/(mol*s)'), n=4.80364, w0=(411,'kJ/mol'), E0=(33.5971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4553049760215016, var=0.260992420101315, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 2.1681497255067756"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.1681497255067756""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.1681497255067756 +""", +) + +entry( + index = 3508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(3.58613e-10,'m^3/(mol*s)'), n=4.66455, w0=(411,'kJ/mol'), E0=(35.8889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3167167238531592, var=0.0077308556399655086, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 0.9720375648100207"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 0.9720375648100207""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 0.9720375648100207 +""", +) + +entry( + index = 3509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(2.68145e-11,'m^3/(mol*s)'), n=4.94244, w0=(411,'kJ/mol'), E0=(31.3008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6015306555348843, var=1.6958825984580723, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 4.12207100604143"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 4.12207100604143""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 4.12207100604143 +""", +) + +entry( + index = 3510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(6.24047e-10,'m^3/(mol*s)'), n=4.68718, w0=(411,'kJ/mol'), E0=(55.6099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3942744937478477, var=53.91487033210508, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 15.710756770948452"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 15.710756770948452""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 15.710756770948452 +""", +) + +entry( + index = 3511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.95733e-10,'m^3/(mol*s)'), n=4.44819, w0=(411,'kJ/mol'), E0=(3.89988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0325919675050823, var=35.94380264083118, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 14.61347057581911"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 14.61347057581911""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_7CS->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 14.61347057581911 +""", +) + +entry( + index = 3512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C", + kinetics = ArrheniusBM(A=(0.00228886,'m^3/(mol*s)'), n=2.68953, w0=(411,'kJ/mol'), E0=(76.2361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1153412536402657, var=20.254056784117974, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C + Total Standard Deviation in ln(k): 9.312013589781001"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C +Total Standard Deviation in ln(k): 9.312013589781001""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C +Total Standard Deviation in ln(k): 9.312013589781001 +""", +) + +entry( + index = 3513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.095139,'m^3/(mol*s)'), n=2.2063, w0=(411,'kJ/mol'), E0=(81.3023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0552370410697998, var=26.337868308423033, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.427173733220366"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.427173733220366""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.427173733220366 +""", +) + +entry( + index = 3514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(15203.6,'m^3/(mol*s)'), n=0.725239, w0=(411,'kJ/mol'), E0=(98.1514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10251351565304091, var=58.72736978716141, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 15.62061530534678"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 15.62061530534678""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 15.62061530534678 +""", +) + +entry( + index = 3515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.22792e-10,'m^3/(mol*s)'), n=4.60119, w0=(411,'kJ/mol'), E0=(19.5746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05580398859333538, var=80.59609570409856, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 18.137785998299716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 18.137785998299716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 18.137785998299716 +""", +) + +entry( + index = 3516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.31378e-10,'m^3/(mol*s)'), n=4.79616, w0=(411,'kJ/mol'), E0=(92.5085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3444783068702416, var=153.34239029017292, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 25.690457454245692"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 25.690457454245692""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 25.690457454245692 +""", +) + +entry( + index = 3517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.67026e-10,'m^3/(mol*s)'), n=4.65997, w0=(411,'kJ/mol'), E0=(51.5646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23151699577733403, var=53.208954757818184, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 15.205134452477365"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 15.205134452477365""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 15.205134452477365 +""", +) + +entry( + index = 3518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.15328e-10,'m^3/(mol*s)'), n=4.79622, w0=(411,'kJ/mol'), E0=(60.1858,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33183060408077975, var=104.68853603134045, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 21.345676511233922"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 21.345676511233922""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->O_N-7CS->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 21.345676511233922 +""", +) + +entry( + index = 3519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(8.12382e-06,'m^3/(mol*s)'), n=3.19405, w0=(411,'kJ/mol'), E0=(40.3296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12211992696716928, var=3.0338659722284587, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 3.7986808155851226"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 3.7986808155851226""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 3.7986808155851226 +""", +) + +entry( + index = 3520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(7.57945e-09,'m^3/(mol*s)'), n=4.06205, w0=(411,'kJ/mol'), E0=(32.1892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15940919398389175, var=2.7290021046574795, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C + Total Standard Deviation in ln(k): 3.7122861342836786"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C +Total Standard Deviation in ln(k): 3.7122861342836786""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C +Total Standard Deviation in ln(k): 3.7122861342836786 +""", +) + +entry( + index = 3521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.66084e-09,'m^3/(mol*s)'), n=4.17017, w0=(411,'kJ/mol'), E0=(27.0787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09687712429650414, var=3.083764800360268, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.7638552583372524"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.7638552583372524""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.7638552583372524 +""", +) + +entry( + index = 3522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S", + kinetics = ArrheniusBM(A=(3.65882e-10,'m^3/(mol*s)'), n=4.49193, w0=(411,'kJ/mol'), E0=(21.5158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08117233886697968, var=1.4403955172296203, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S + Total Standard Deviation in ln(k): 2.609963048385206"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 2.609963048385206""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 2.609963048385206 +""", +) + +entry( + index = 3523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.18932e-10,'m^3/(mol*s)'), n=4.6492, w0=(411,'kJ/mol'), E0=(19.4772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04785371218015734, var=1.5309714324835766, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.600742891443825"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.600742891443825""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.600742891443825 +""", +) + +entry( + index = 3524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(8.13318e-12,'m^3/(mol*s)'), n=4.85005, w0=(411,'kJ/mol'), E0=(10.5026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01091360129018127, var=0.05638550022493261, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 0.5034581072752423"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.5034581072752423""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.5034581072752423 +""", +) + +entry( + index = 3525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.513e-09,'m^3/(mol*s)'), n=4.09411, w0=(411,'kJ/mol'), E0=(8.65865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.054530343867107, var=0.013066387887629314, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 0.36616877673355175"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.36616877673355175""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.36616877673355175 +""", +) + +entry( + index = 3526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(5.15267e-11,'m^3/(mol*s)'), n=4.80149, w0=(411,'kJ/mol'), E0=(-0.475094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0018966380176238442, var=1.359070081083597, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 2.3418687583510382"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.3418687583510382""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.3418687583510382 +""", +) + +entry( + index = 3527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(4.79581e-10,'m^3/(mol*s)'), n=4.54787, w0=(411,'kJ/mol'), E0=(12.7445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028162318125087883, var=1.2658646553674928, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 2.326300076583019"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 2.326300076583019""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 2.326300076583019 +""", +) + +entry( + index = 3528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.63112e-08,'m^3/(mol*s)'), n=4.14027, w0=(411,'kJ/mol'), E0=(32.4784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04048284840099521, var=0.6010549982754082, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 1.6559414350578325"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 1.6559414350578325""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 1.6559414350578325 +""", +) + +entry( + index = 3529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.70291e-10,'m^3/(mol*s)'), n=4.66928, w0=(411,'kJ/mol'), E0=(14.437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.46648e-08,'m^3/(mol*s)'), n=4.09886, w0=(411,'kJ/mol'), E0=(8.65122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07210062554691894, var=2.377566353505012, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 3.272330358413618"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 3.272330358413618""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 3.272330358413618 +""", +) + +entry( + index = 3531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.40309e-07,'m^3/(mol*s)'), n=3.54925, w0=(411,'kJ/mol'), E0=(6.00074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11065027914872194, var=6.144382924440887, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H_Ext-1C-R + Total Standard Deviation in ln(k): 5.247326189223321"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.247326189223321""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.247326189223321 +""", +) + +entry( + index = 3532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.52343e-12,'m^3/(mol*s)'), n=5.09336, w0=(411,'kJ/mol'), E0=(16.5022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11563081955061064, var=2.078844886828023, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 3.180996808873862"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 3.180996808873862""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 3.180996808873862 +""", +) + +entry( + index = 3533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.18841e-11,'m^3/(mol*s)'), n=4.6405, w0=(411,'kJ/mol'), E0=(27.0356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003970819122215341, var=0.09835687605507987, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 0.6386999391704826"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.6386999391704826""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.6386999391704826 +""", +) + +entry( + index = 3534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.35551e-10,'m^3/(mol*s)'), n=4.5318, w0=(411,'kJ/mol'), E0=(14.7242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10095143570123684, var=13.922460492916114, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 7.733877423984359"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.733877423984359""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.733877423984359 +""", +) + +entry( + index = 3535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(2.74955e-09,'m^3/(mol*s)'), n=4.11528, w0=(411,'kJ/mol'), E0=(28.1532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10663770153442056, var=4.007606458274648, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S + Total Standard Deviation in ln(k): 4.281214501042559"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 4.281214501042559""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 4.281214501042559 +""", +) + +entry( + index = 3536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R", + kinetics = ArrheniusBM(A=(4.79109e-08,'m^3/(mol*s)'), n=3.75425, w0=(411,'kJ/mol'), E0=(32.5507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08747489724492226, var=4.679247806421056, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R + Total Standard Deviation in ln(k): 4.556342704334539"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 4.556342704334539""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 4.556342704334539 +""", +) + +entry( + index = 3537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.09841e-08,'m^3/(mol*s)'), n=3.83808, w0=(411,'kJ/mol'), E0=(29.704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0795268664543376, var=10.115253950309711, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.575773323466166"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.575773323466166""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.575773323466166 +""", +) + +entry( + index = 3538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C", + kinetics = ArrheniusBM(A=(1.75771e-09,'m^3/(mol*s)'), n=4.11603, w0=(411,'kJ/mol'), E0=(9.20149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.058231282783125546, var=6.006393796768506, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C + Total Standard Deviation in ln(k): 5.059503504625911"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C +Total Standard Deviation in ln(k): 5.059503504625911""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C +Total Standard Deviation in ln(k): 5.059503504625911 +""", +) + +entry( + index = 3539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.51176e-08,'m^3/(mol*s)'), n=3.68237, w0=(411,'kJ/mol'), E0=(7.02405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09342143862566966, var=39.598857375220256, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C_Ext-8R!H-R + Total Standard Deviation in ln(k): 12.850048550980473"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 12.850048550980473""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_Sp-9R!H#7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 12.850048550980473 +""", +) + +entry( + index = 3540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C", + kinetics = ArrheniusBM(A=(1.96089e-11,'m^3/(mol*s)'), n=4.60055, w0=(411,'kJ/mol'), E0=(25.0765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040785889923981605, var=14.134747329047368, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C + Total Standard Deviation in ln(k): 7.639520477688432"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C +Total Standard Deviation in ln(k): 7.639520477688432""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C +Total Standard Deviation in ln(k): 7.639520477688432 +""", +) + +entry( + index = 3541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_7C-inRing", + kinetics = ArrheniusBM(A=(3.23866e-13,'m^3/(mol*s)'), n=5.1154, w0=(411,'kJ/mol'), E0=(20.8968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3015993632201501, var=0.8487181825859736, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_7C-inRing + Total Standard Deviation in ln(k): 2.6046676182462365"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_7C-inRing +Total Standard Deviation in ln(k): 2.6046676182462365""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_7C-inRing +Total Standard Deviation in ln(k): 2.6046676182462365 +""", +) + +entry( + index = 3542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(2.27398e-11,'m^3/(mol*s)'), n=4.58069, w0=(411,'kJ/mol'), E0=(24.8183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1337320889182601, var=21.856435134969477, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing + Total Standard Deviation in ln(k): 9.708320460047386"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing +Total Standard Deviation in ln(k): 9.708320460047386""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing +Total Standard Deviation in ln(k): 9.708320460047386 +""", +) + +entry( + index = 3543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.88198e-10,'m^3/(mol*s)'), n=4.11723, w0=(411,'kJ/mol'), E0=(13.6626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0546272852952953, var=54.662904852715975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 14.959136192987575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 14.959136192987575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 14.959136192987575 +""", +) + +entry( + index = 3544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(1.49437e-11,'m^3/(mol*s)'), n=4.47144, w0=(411,'kJ/mol'), E0=(22.0891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03492262874634845, var=43.51599586360695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_9R!H->C + Total Standard Deviation in ln(k): 13.312312042033167"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_9R!H->C +Total Standard Deviation in ln(k): 13.312312042033167""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_9R!H->C +Total Standard Deviation in ln(k): 13.312312042033167 +""", +) + +entry( + index = 3545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.98641e-10,'m^3/(mol*s)'), n=4.35751, w0=(411,'kJ/mol'), E0=(35.2166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025589051391283462, var=104.22666607399238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 20.530927590567053"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 20.530927590567053""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-1C-R_N-Sp-9R!H#7C_N-7C-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 20.530927590567053 +""", +) + +entry( + index = 3546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.22421e-10,'m^3/(mol*s)'), n=4.4089, w0=(411,'kJ/mol'), E0=(3.58784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040872526353443815, var=3.87473252704651, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.048883535570811"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.048883535570811""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.048883535570811 +""", +) + +entry( + index = 3547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(8.5692e-10,'m^3/(mol*s)'), n=4.31286, w0=(411,'kJ/mol'), E0=(19.6937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.031874915572926175, var=21.106269545724807, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C + Total Standard Deviation in ln(k): 9.290153453985074"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 9.290153453985074""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 9.290153453985074 +""", +) + +entry( + index = 3548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(6.09032e-10,'m^3/(mol*s)'), n=4.50494, w0=(411,'kJ/mol'), E0=(9.41668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030162468827010555, var=2.051704972894935, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C + Total Standard Deviation in ln(k): 2.947322285215767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 2.947322285215767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 2.947322285215767 +""", +) + +entry( + index = 3549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C", + kinetics = ArrheniusBM(A=(6.37638e-13,'m^3/(mol*s)'), n=5.25658, w0=(411,'kJ/mol'), E0=(23.065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24596136229557405, var=0.8824257399921884, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C + Total Standard Deviation in ln(k): 2.50119175872405"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 2.50119175872405""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 2.50119175872405 +""", +) + +entry( + index = 3550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(9.76634e-12,'m^3/(mol*s)'), n=4.90596, w0=(411,'kJ/mol'), E0=(27.754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3197337767600749, var=5.645453001835191, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_7C-inRing + Total Standard Deviation in ln(k): 5.566634226574741"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_7C-inRing +Total Standard Deviation in ln(k): 5.566634226574741""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_7C-inRing +Total Standard Deviation in ln(k): 5.566634226574741 +""", +) + +entry( + index = 3551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(2.2926e-15,'m^3/(mol*s)'), n=5.96241, w0=(411,'kJ/mol'), E0=(11.668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1732329051426248, var=0.6536880314587541, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 2.056106431232311"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 2.056106431232311""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 2.056106431232311 +""", +) + +entry( + index = 3552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_Sp-9C=7C", + kinetics = ArrheniusBM(A=(1.36309e-11,'m^3/(mol*s)'), n=4.86518, w0=(411,'kJ/mol'), E0=(27.8395,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21497357412387022, var=1.2256491321759548, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_Sp-9C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_Sp-9C=7C + Total Standard Deviation in ln(k): 2.7595575475243774"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_Sp-9C=7C +Total Standard Deviation in ln(k): 2.7595575475243774""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_Sp-9C=7C +Total Standard Deviation in ln(k): 2.7595575475243774 +""", +) + +entry( + index = 3553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_N-Sp-9C=7C", + kinetics = ArrheniusBM(A=(5.08261e-11,'m^3/(mol*s)'), n=4.73316, w0=(411,'kJ/mol'), E0=(26.6358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21311318420606204, var=1.0302538386671838, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_N-Sp-9C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_N-Sp-9C=7C + Total Standard Deviation in ln(k): 2.5702948449276497"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_N-Sp-9C=7C +Total Standard Deviation in ln(k): 2.5702948449276497""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-7C-inRing_N-Sp-9C=7C +Total Standard Deviation in ln(k): 2.5702948449276497 +""", +) + +entry( + index = 3554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(6.58371e-10,'m^3/(mol*s)'), n=4.303, w0=(411,'kJ/mol'), E0=(14.4895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.050640197048120165, var=0.010229925857226967, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C + Total Standard Deviation in ln(k): 0.3300017882763688"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 0.3300017882763688""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 0.3300017882763688 +""", +) + +entry( + index = 3555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.42e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(20.5016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1094237467875608e-15, var=9.373886225321517e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 6.667863848546485e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 6.667863848546485e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-1C-R_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 6.667863848546485e-14 +""", +) + +entry( + index = 3556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.19632e-12,'m^3/(mol*s)'), n=5.16103, w0=(411,'kJ/mol'), E0=(37.8955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.449811995015737, var=1.4191759524470133, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.5184051823362616"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.5184051823362616""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.5184051823362616 +""", +) + +entry( + index = 3557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.00008e-14,'m^3/(mol*s)'), n=5.68143, w0=(411,'kJ/mol'), E0=(32.6926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38510290689647236, var=1.6435320978363694, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 3.537671944189697"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 3.537671944189697""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 3.537671944189697 +""", +) + +entry( + index = 3558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(3.87901e-12,'m^3/(mol*s)'), n=5.03339, w0=(411,'kJ/mol'), E0=(38.3085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3908640388558565, var=1.7248492124239982, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 3.61495949006485"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.61495949006485""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.61495949006485 +""", +) + +entry( + index = 3559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(3.68997e-12,'m^3/(mol*s)'), n=5.15786, w0=(411,'kJ/mol'), E0=(37.5225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4944454553343976, var=1.982821093522905, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 4.065246460191703"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.065246460191703""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.065246460191703 +""", +) + +entry( + index = 3560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(2.93189e-12,'m^3/(mol*s)'), n=5.15974, w0=(411,'kJ/mol'), E0=(37.758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5336621526725686, var=5.2236466586765635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 5.922741524772066"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 5.922741524772066""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 5.922741524772066 +""", +) + +entry( + index = 3561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(2.28099e-11,'m^3/(mol*s)'), n=4.95793, w0=(411,'kJ/mol'), E0=(39.027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43141909047246085, var=7.439857588470837, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 6.5521034775048"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.5521034775048""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.5521034775048 +""", +) + +entry( + index = 3562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.3025e-12,'m^3/(mol*s)'), n=4.92964, w0=(411,'kJ/mol'), E0=(41.4318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38603945177656407, var=4.514983933633911, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 5.229708007502339"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.229708007502339""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.229708007502339 +""", +) + +entry( + index = 3563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_7R!H->C", + kinetics = ArrheniusBM(A=(3.38233e-11,'m^3/(mol*s)'), n=4.84104, w0=(411,'kJ/mol'), E0=(29.1143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4709846919263683, var=0.8283442939707341, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_7R!H->C + Total Standard Deviation in ln(k): 3.0079566140066647"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 3.0079566140066647""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 3.0079566140066647 +""", +) + +entry( + index = 3564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.9293e-12,'m^3/(mol*s)'), n=5.0769, w0=(411,'kJ/mol'), E0=(30.4617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5747694269945405, var=0.4003681057359179, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_N-7R!H->C + Total Standard Deviation in ln(k): 2.7126333489734393"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.7126333489734393""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Sp-7R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.7126333489734393 +""", +) + +entry( + index = 3565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(10325.9,'m^3/(mol*s)'), n=0.595438, w0=(411,'kJ/mol'), E0=(31.1381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_6R!H->C", + kinetics = ArrheniusBM(A=(2.2465e-11,'m^3/(mol*s)'), n=5.02306, w0=(411,'kJ/mol'), E0=(39.2153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6938769658669114, var=0.1011995161448561, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_6R!H->C + Total Standard Deviation in ln(k): 2.381153206544132"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_6R!H->C +Total Standard Deviation in ln(k): 2.381153206544132""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_6R!H->C +Total Standard Deviation in ln(k): 2.381153206544132 +""", +) + +entry( + index = 3567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.51275e-08,'m^3/(mol*s)'), n=3.98253, w0=(411,'kJ/mol'), E0=(33.9734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-3C-R_N-1C-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(20.0169,'m^3/(mol*s)'), n=1.49142, w0=(411,'kJ/mol'), E0=(69.3277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27224914472728035, var=7.180566400561994, Tref=1000.0, N=567, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 567 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 6.056047242130629"""), + rank = 11, + shortDesc = """BM rule fitted to 567 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.056047242130629""", + longDesc = +""" +BM rule fitted to 567 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 6.056047242130629 +""", +) + +entry( + index = 3569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(5252.87,'m^3/(mol*s)'), n=0.889645, w0=(411,'kJ/mol'), E0=(79.6214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32466012838465935, var=12.651030007060381, Tref=1000.0, N=192, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R',), comment="""BM rule fitted to 192 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R + Total Standard Deviation in ln(k): 7.946228113904205"""), + rank = 11, + shortDesc = """BM rule fitted to 192 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.946228113904205""", + longDesc = +""" +BM rule fitted to 192 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.946228113904205 +""", +) + +entry( + index = 3570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(33.6381,'m^3/(mol*s)'), n=1.64063, w0=(411,'kJ/mol'), E0=(76.2902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03968350472231061, var=13.205348858117071, Tref=1000.0, N=99, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C',), comment="""BM rule fitted to 99 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C + Total Standard Deviation in ln(k): 7.384747099456785"""), + rank = 11, + shortDesc = """BM rule fitted to 99 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 7.384747099456785""", + longDesc = +""" +BM rule fitted to 99 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 7.384747099456785 +""", +) + +entry( + index = 3571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(20.9577,'m^3/(mol*s)'), n=1.69234, w0=(411,'kJ/mol'), E0=(75.6022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.041279663874225256, var=13.349467577404415, Tref=1000.0, N=97, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R',), comment="""BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R + Total Standard Deviation in ln(k): 7.428402906580682"""), + rank = 11, + shortDesc = """BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R +Total Standard Deviation in ln(k): 7.428402906580682""", + longDesc = +""" +BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R +Total Standard Deviation in ln(k): 7.428402906580682 +""", +) + +entry( + index = 3572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(37500.6,'m^3/(mol*s)'), n=1.04579, w0=(411,'kJ/mol'), E0=(105.216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019678596523955393, var=24.22510142186345, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C + Total Standard Deviation in ln(k): 9.916549656279678"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 9.916549656279678""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 9.916549656279678 +""", +) + +entry( + index = 3573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.4009e-09,'m^3/(mol*s)'), n=4.67499, w0=(411,'kJ/mol'), E0=(45.6501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47208022590986704, var=5.321185838896348, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.810593088899188"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.810593088899188""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.810593088899188 +""", +) + +entry( + index = 3574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C", + kinetics = ArrheniusBM(A=(0.00234287,'m^3/(mol*s)'), n=3.10583, w0=(411,'kJ/mol'), E0=(68.0724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2921846222522503, var=13.657044433223511, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C + Total Standard Deviation in ln(k): 8.142718626170355"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 8.142718626170355""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 8.142718626170355 +""", +) + +entry( + index = 3575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.24357e-08,'m^3/(mol*s)'), n=4.58999, w0=(411,'kJ/mol'), E0=(52.8974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44025171135373664, var=14.982910238221939, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 8.866041382146038"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 8.866041382146038""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 8.866041382146038 +""", +) + +entry( + index = 3576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(1.07609e-08,'m^3/(mol*s)'), n=4.68936, w0=(411,'kJ/mol'), E0=(62.3404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39730143546522895, var=7.649488040944861, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 6.542882523544833"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 6.542882523544833""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 6.542882523544833 +""", +) + +entry( + index = 3577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(1.62164e-18,'m^3/(mol*s)'), n=7.52445, w0=(411,'kJ/mol'), E0=(20.7212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5615014974222208, var=4.586152268529774, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 5.704008807784228"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 5.704008807784228""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 5.704008807784228 +""", +) + +entry( + index = 3578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C", + kinetics = ArrheniusBM(A=(2.59284e-08,'m^3/(mol*s)'), n=4.56296, w0=(411,'kJ/mol'), E0=(63.0722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36462907121228155, var=6.015122783103074, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C + Total Standard Deviation in ln(k): 5.8329160269645906"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 5.8329160269645906""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C +Total Standard Deviation in ln(k): 5.8329160269645906 +""", +) + +entry( + index = 3579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C", + kinetics = ArrheniusBM(A=(9.61431e-08,'m^3/(mol*s)'), n=4.42216, w0=(411,'kJ/mol'), E0=(62.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19724899772089458, var=7.203541790322809, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C + Total Standard Deviation in ln(k): 5.876192098381188"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 5.876192098381188""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_Sp-10C=9C +Total Standard Deviation in ln(k): 5.876192098381188 +""", +) + +entry( + index = 3580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C", + kinetics = ArrheniusBM(A=(7.20385e-09,'m^3/(mol*s)'), n=4.70006, w0=(411,'kJ/mol'), E0=(63.271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5427624164777274, var=32.18514599315931, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C + Total Standard Deviation in ln(k): 12.736978474369119"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 12.736978474369119""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_10R!H->C_N-Sp-10C=9C +Total Standard Deviation in ln(k): 12.736978474369119 +""", +) + +entry( + index = 3581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.67335e-07,'m^3/(mol*s)'), n=4.44479, w0=(411,'kJ/mol'), E0=(87.0504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22537971262355658, var=8.942928261280011, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C + Total Standard Deviation in ln(k): 6.561386637669529"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 6.561386637669529""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_9R!H->C_Ext-9C-R_N-10R!H->C +Total Standard Deviation in ln(k): 6.561386637669529 +""", +) + +entry( + index = 3582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(0.123689,'m^3/(mol*s)'), n=2.25961, w0=(411,'kJ/mol'), E0=(12.0119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5696462852944387, var=268.93653918345336, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 34.30749338714958"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 34.30749338714958""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 34.30749338714958 +""", +) + +entry( + index = 3583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.12437e-09,'m^3/(mol*s)'), n=4.94678, w0=(411,'kJ/mol'), E0=(93.4064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.273970459575163, var=37.9419311880943, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C + Total Standard Deviation in ln(k): 13.036939054777118"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 13.036939054777118""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 13.036939054777118 +""", +) + +entry( + index = 3584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.66033e-12,'m^3/(mol*s)'), n=5.67872, w0=(411,'kJ/mol'), E0=(87.9451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3367204721785471, var=48.34664941558689, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 14.785306144217927"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.785306144217927""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.785306144217927 +""", +) + +entry( + index = 3585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(4.13789e-44,'m^3/(mol*s)'), n=14.8066, w0=(411,'kJ/mol'), E0=(-6.38472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8145762100068038, var=96.02669739934738, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 21.691716983887044"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 21.691716983887044""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 21.691716983887044 +""", +) + +entry( + index = 3586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(5.18557e-08,'m^3/(mol*s)'), n=4.42258, w0=(411,'kJ/mol'), E0=(78.6713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12379374704216006, var=131.04700682907477, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 23.26039764783101"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 23.26039764783101""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 23.26039764783101 +""", +) + +entry( + index = 3587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.51833e-08,'m^3/(mol*s)'), n=4.55378, w0=(411,'kJ/mol'), E0=(134.06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2667419930315431, var=281.05945704280515, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 34.27924472128838"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 34.27924472128838""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 34.27924472128838 +""", +) + +entry( + index = 3588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(5.53621e-08,'m^3/(mol*s)'), n=4.41758, w0=(411,'kJ/mol'), E0=(87.7504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14439650323632489, var=165.9813960691782, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 26.190562538369292"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 26.190562538369292""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 26.190562538369292 +""", +) + +entry( + index = 3589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.15655e-08,'m^3/(mol*s)'), n=4.55383, w0=(411,'kJ/mol'), E0=(93.7376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28889089261310374, var=289.1009762823129, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 34.81230615380239"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 34.81230615380239""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_Sp-8R!H=1C_N-8R!H->C_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 34.81230615380239 +""", +) + +entry( + index = 3590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S", + kinetics = ArrheniusBM(A=(0.011637,'m^3/(mol*s)'), n=2.5756, w0=(411,'kJ/mol'), E0=(46.5838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060646804336897085, var=6.195552570934835, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S + Total Standard Deviation in ln(k): 5.14233831178254"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 5.14233831178254""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 5.14233831178254 +""", +) + +entry( + index = 3591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0598104,'m^3/(mol*s)'), n=2.35122, w0=(411,'kJ/mol'), E0=(47.1223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0012765563844866334, var=6.565306705260288, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 5.13991093939855"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.13991093939855""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.13991093939855 +""", +) + +entry( + index = 3592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.08558e-12,'m^3/(mol*s)'), n=5.38325, w0=(411,'kJ/mol'), E0=(20.0512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34988682937668564, var=6.57764357304236, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 6.020640072591391"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.020640072591391""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.020640072591391 +""", +) + +entry( + index = 3593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(1.15754e-10,'m^3/(mol*s)'), n=4.67973, w0=(411,'kJ/mol'), E0=(22.3782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44657974584749516, var=4.827002330841977, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 5.526550833075183"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 5.526550833075183""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 5.526550833075183 +""", +) + +entry( + index = 3594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.19693e-10,'m^3/(mol*s)'), n=4.4272, w0=(411,'kJ/mol'), E0=(16.988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15977005137279168, var=15.931755716398095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.403252861237842"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.403252861237842""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.403252861237842 +""", +) + +entry( + index = 3595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.15424e-09,'m^3/(mol*s)'), n=4.56062, w0=(411,'kJ/mol'), E0=(29.1437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20074769130209835, var=7.608449134696927, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 6.034135618552289"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 6.034135618552289""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 6.034135618552289 +""", +) + +entry( + index = 3596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.48113e-16,'m^3/(mol*s)'), n=6.43675, w0=(411,'kJ/mol'), E0=(4.26069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3552979888889932, var=14.865060664130345, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 8.622011510298307"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.622011510298307""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 8.622011510298307 +""", +) + +entry( + index = 3597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(1.60035e-17,'m^3/(mol*s)'), n=6.7776, w0=(411,'kJ/mol'), E0=(2.6462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27071571045180215, var=29.356408049545838, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.542156432952845"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.542156432952845""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.542156432952845 +""", +) + +entry( + index = 3598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_10R!H->C", + kinetics = ArrheniusBM(A=(3.76224e-09,'m^3/(mol*s)'), n=4.55592, w0=(411,'kJ/mol'), E0=(17.9714,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_N-10R!H->C", + kinetics = ArrheniusBM(A=(5.63976e-10,'m^3/(mol*s)'), n=4.52687, w0=(411,'kJ/mol'), E0=(34.8451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06709017734185449, var=62.00850183324813, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_N-10R!H->C + Total Standard Deviation in ln(k): 15.954950322601578"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_N-10R!H->C +Total Standard Deviation in ln(k): 15.954950322601578""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_Sp-10R!H=9R!H_N-10R!H->C +Total Standard Deviation in ln(k): 15.954950322601578 +""", +) + +entry( + index = 3600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(1.75447e-09,'m^3/(mol*s)'), n=4.4746, w0=(411,'kJ/mol'), E0=(22.7736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21334388429329573, var=41.39056912495362, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 13.433603816263153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 13.433603816263153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1C-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 13.433603816263153 +""", +) + +entry( + index = 3601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C", + kinetics = ArrheniusBM(A=(2.44876e-09,'m^3/(mol*s)'), n=4.52201, w0=(411,'kJ/mol'), E0=(32.4387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36299564452003846, var=11.037508773424626, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C + Total Standard Deviation in ln(k): 7.572329862569377"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 7.572329862569377""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 7.572329862569377 +""", +) + +entry( + index = 3602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(1.18342e-09,'m^3/(mol*s)'), n=4.60424, w0=(411,'kJ/mol'), E0=(34.2009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24026619582245826, var=30.92968667419641, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H + Total Standard Deviation in ln(k): 11.75291069891555"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 11.75291069891555""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 11.75291069891555 +""", +) + +entry( + index = 3603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(3.85991e-10,'m^3/(mol*s)'), n=4.76016, w0=(411,'kJ/mol'), E0=(27.68,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5105887979723079, var=39.76785469209006, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H + Total Standard Deviation in ln(k): 13.925098491448665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 13.925098491448665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 13.925098491448665 +""", +) + +entry( + index = 3604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_N-10R!H->C", + kinetics = ArrheniusBM(A=(7.11069e-09,'m^3/(mol*s)'), n=4.31004, w0=(411,'kJ/mol'), E0=(32.6994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0433128263580208, var=16.26021199937186, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_N-10R!H->C + Total Standard Deviation in ln(k): 8.192710536481593"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 8.192710536481593""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-9R!H-R_N-9R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 8.192710536481593 +""", +) + +entry( + index = 3605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.87919e-07,'m^3/(mol*s)'), n=3.93137, w0=(411,'kJ/mol'), E0=(11.7728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06817605598761044, var=75.54264936789413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 17.595506572904252"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 17.595506572904252""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_8R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 17.595506572904252 +""", +) + +entry( + index = 3606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(6469.88,'m^3/(mol*s)'), n=0.867322, w0=(411,'kJ/mol'), E0=(81.2535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16753921628109694, var=10.217214349002145, Tref=1000.0, N=52, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S',), comment="""BM rule fitted to 52 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S + Total Standard Deviation in ln(k): 6.828963703478152"""), + rank = 11, + shortDesc = """BM rule fitted to 52 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 6.828963703478152""", + longDesc = +""" +BM rule fitted to 52 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 6.828963703478152 +""", +) + +entry( + index = 3607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing", + kinetics = ArrheniusBM(A=(40560.2,'m^3/(mol*s)'), n=0.797162, w0=(411,'kJ/mol'), E0=(90.0255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31122738418750767, var=7.25479930458947, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing + Total Standard Deviation in ln(k): 6.1816790867755325"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing +Total Standard Deviation in ln(k): 6.1816790867755325""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing +Total Standard Deviation in ln(k): 6.1816790867755325 +""", +) + +entry( + index = 3608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(4.19713e-06,'m^3/(mol*s)'), n=3.6071, w0=(411,'kJ/mol'), E0=(62.0573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.047168972417268994, var=1.1292036867066082, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R + Total Standard Deviation in ln(k): 2.2488266105239254"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R +Total Standard Deviation in ln(k): 2.2488266105239254""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R +Total Standard Deviation in ln(k): 2.2488266105239254 +""", +) + +entry( + index = 3609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.13249e-07,'m^3/(mol*s)'), n=4.01512, w0=(411,'kJ/mol'), E0=(51.2654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12381127450075714, var=3.4375790718876784, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.028004665202834"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.028004665202834""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.028004665202834 +""", +) + +entry( + index = 3610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(8.96838e-08,'m^3/(mol*s)'), n=4.16267, w0=(411,'kJ/mol'), E0=(56.7788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003197921883420592, var=6.900825983619603, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 5.2743584066352565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 5.2743584066352565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-11R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 5.2743584066352565 +""", +) + +entry( + index = 3611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(4.86449e-08,'m^3/(mol*s)'), n=4.16503, w0=(411,'kJ/mol'), E0=(60.5551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019042163186911456, var=5.342546177882382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 4.681578975587263"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 4.681578975587263""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-8BrCClFINOPSi-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 4.681578975587263 +""", +) + +entry( + index = 3612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-9R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.87749e-07,'m^3/(mol*s)'), n=4.01512, w0=(411,'kJ/mol'), E0=(66.5117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1322839177514806, var=0.07528652649082723, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-9R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-9R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 0.8824386886275538"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.8824386886275538""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Ext-8BrCClFINOPSi-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.8824386886275538 +""", +) + +entry( + index = 3613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Sp-8BrCClFINOPSi-1C", + kinetics = ArrheniusBM(A=(7.93661e-08,'m^3/(mol*s)'), n=3.99645, w0=(411,'kJ/mol'), E0=(60.8382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17478426858840243, var=14.023231967064651, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Sp-8BrCClFINOPSi-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Sp-8BrCClFINOPSi-1C + Total Standard Deviation in ln(k): 7.946409389219656"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Sp-8BrCClFINOPSi-1C +Total Standard Deviation in ln(k): 7.946409389219656""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_Sp-8BrCClFINOPSi-1C +Total Standard Deviation in ln(k): 7.946409389219656 +""", +) + +entry( + index = 3614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_N-Sp-8BrCClFINOPSi-1C", + kinetics = ArrheniusBM(A=(5.43317e-05,'m^3/(mol*s)'), n=3.7281, w0=(411,'kJ/mol'), E0=(25.8149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1248885203287367, var=97.28449037235157, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_N-Sp-8BrCClFINOPSi-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_N-Sp-8BrCClFINOPSi-1C + Total Standard Deviation in ln(k): 20.08707376963492"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_N-Sp-8BrCClFINOPSi-1C +Total Standard Deviation in ln(k): 20.08707376963492""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_1C-inRing_N-Sp-8BrCClFINOPSi-1C +Total Standard Deviation in ln(k): 20.08707376963492 +""", +) + +entry( + index = 3615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing", + kinetics = ArrheniusBM(A=(96.7596,'m^3/(mol*s)'), n=1.33197, w0=(411,'kJ/mol'), E0=(74.3554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06331840158017249, var=12.094836291050456, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing + Total Standard Deviation in ln(k): 7.131085170781091"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 7.131085170781091""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 7.131085170781091 +""", +) + +entry( + index = 3616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(324.474,'m^3/(mol*s)'), n=1.12401, w0=(411,'kJ/mol'), E0=(73.7628,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15209913595126123, var=14.326296778236355, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 7.970099909720982"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.970099909720982""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.970099909720982 +""", +) + +entry( + index = 3617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(2.29626e-10,'m^3/(mol*s)'), n=4.63687, w0=(411,'kJ/mol'), E0=(33.0035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.609629703458849, var=5.6701024523399255, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 6.305403464290149"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 6.305403464290149""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 6.305403464290149 +""", +) + +entry( + index = 3618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.61662e-11,'m^3/(mol*s)'), n=4.87301, w0=(411,'kJ/mol'), E0=(24.5436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6637406615050379, var=5.146192014609589, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.215475709486839"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.215475709486839""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_8BrCClFINOPSi-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.215475709486839 +""", +) + +entry( + index = 3619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(2353.34,'m^3/(mol*s)'), n=0.872183, w0=(411,'kJ/mol'), E0=(77.3584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21695780403295634, var=16.13323656637427, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 8.597379202539779"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 8.597379202539779""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 8.597379202539779 +""", +) + +entry( + index = 3620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(8.52158e-05,'m^3/(mol*s)'), n=2.929, w0=(411,'kJ/mol'), E0=(61.1123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008674845775895527, var=15.119055176622737, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R + Total Standard Deviation in ln(k): 7.816853456841864"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.816853456841864""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.816853456841864 +""", +) + +entry( + index = 3621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00376563,'m^3/(mol*s)'), n=2.37285, w0=(411,'kJ/mol'), E0=(65.8461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12189730615922362, var=19.05329743213098, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R + Total Standard Deviation in ln(k): 9.056959884531608"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R +Total Standard Deviation in ln(k): 9.056959884531608""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R +Total Standard Deviation in ln(k): 9.056959884531608 +""", +) + +entry( + index = 3622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.14011e-10,'m^3/(mol*s)'), n=4.34787, w0=(411,'kJ/mol'), E0=(62.6217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09573962433355021, var=30.462778220671428, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.30530533446858"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.30530533446858""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.30530533446858 +""", +) + +entry( + index = 3623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=8BrCClFINOPSi", + kinetics = ArrheniusBM(A=(2.91298e-11,'m^3/(mol*s)'), n=4.48318, w0=(411,'kJ/mol'), E0=(63.8574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05350462039137685, var=70.22912082690037, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=8BrCClFINOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=8BrCClFINOPSi + Total Standard Deviation in ln(k): 16.93467833688813"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 16.93467833688813""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 16.93467833688813 +""", +) + +entry( + index = 3624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=8BrCClFINOPSi", + kinetics = ArrheniusBM(A=(6.17522e-11,'m^3/(mol*s)'), n=4.45864, w0=(411,'kJ/mol'), E0=(59.237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17595597897474313, var=128.094963580095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=8BrCClFINOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=8BrCClFINOPSi + Total Standard Deviation in ln(k): 23.13150071936124"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 23.13150071936124""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_Ext-9R!H-R_N-Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 23.13150071936124 +""", +) + +entry( + index = 3625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C", + kinetics = ArrheniusBM(A=(3.86004e-08,'m^3/(mol*s)'), n=3.87163, w0=(411,'kJ/mol'), E0=(35.4503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05342776734525287, var=8.298844706532105, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C + Total Standard Deviation in ln(k): 5.909424391883834"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 5.909424391883834""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C +Total Standard Deviation in ln(k): 5.909424391883834 +""", +) + +entry( + index = 3626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_Sp-10C=8BrCClFINOPSi", + kinetics = ArrheniusBM(A=(7.43634e-10,'m^3/(mol*s)'), n=4.22905, w0=(411,'kJ/mol'), E0=(35.3847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03922117212646119, var=14.4803885908817, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_Sp-10C=8BrCClFINOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_Sp-10C=8BrCClFINOPSi + Total Standard Deviation in ln(k): 7.72718525360974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_Sp-10C=8BrCClFINOPSi +Total Standard Deviation in ln(k): 7.72718525360974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_Sp-10C=8BrCClFINOPSi +Total Standard Deviation in ln(k): 7.72718525360974 +""", +) + +entry( + index = 3627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_N-Sp-10C=8BrCClFINOPSi", + kinetics = ArrheniusBM(A=(6.29991e-10,'m^3/(mol*s)'), n=4.51772, w0=(411,'kJ/mol'), E0=(26.103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2610877587541444, var=4.084554450891674, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_N-Sp-10C=8BrCClFINOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_N-Sp-10C=8BrCClFINOPSi + Total Standard Deviation in ln(k): 4.707625253799294"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_N-Sp-10C=8BrCClFINOPSi +Total Standard Deviation in ln(k): 4.707625253799294""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_10R!H->C_N-Sp-10C=8BrCClFINOPSi +Total Standard Deviation in ln(k): 4.707625253799294 +""", +) + +entry( + index = 3628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.82995e-08,'m^3/(mol*s)'), n=4.11512, w0=(411,'kJ/mol'), E0=(55.1434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12221279317274521, var=27.81317298128985, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_N-10R!H->C + Total Standard Deviation in ln(k): 10.879678426995445"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 10.879678426995445""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Ext-1C-R_N-10R!H->C +Total Standard Deviation in ln(k): 10.879678426995445 +""", +) + +entry( + index = 3629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi", + kinetics = ArrheniusBM(A=(1.2869e-07,'m^3/(mol*s)'), n=3.78867, w0=(411,'kJ/mol'), E0=(52.8847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12115763199005632, var=11.818789889374038, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi + Total Standard Deviation in ln(k): 7.196388018339963"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 7.196388018339963""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 7.196388018339963 +""", +) + +entry( + index = 3630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C", + kinetics = ArrheniusBM(A=(2.24115e-07,'m^3/(mol*s)'), n=3.71236, w0=(411,'kJ/mol'), E0=(47.5877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0910195271964299, var=1.9813824385571999, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C + Total Standard Deviation in ln(k): 3.0505891902437035"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C +Total Standard Deviation in ln(k): 3.0505891902437035""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C +Total Standard Deviation in ln(k): 3.0505891902437035 +""", +) + +entry( + index = 3631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(3.91e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(37.2376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.7755575615602467e-16, var=1.0614185109506929e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 6.601047937526259e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.601047937526259e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_10R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 6.601047937526259e-14 +""", +) + +entry( + index = 3632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_N-10R!H->C", + kinetics = ArrheniusBM(A=(2.21798e-10,'m^3/(mol*s)'), n=4.59504, w0=(411,'kJ/mol'), E0=(57.6849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2527424105035726, var=132.58141849259698, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_N-10R!H->C + Total Standard Deviation in ln(k): 23.71835372644707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_N-10R!H->C +Total Standard Deviation in ln(k): 23.71835372644707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_Sp-10R!H=8BrCClFINOPSi_N-10R!H->C +Total Standard Deviation in ln(k): 23.71835372644707 +""", +) + +entry( + index = 3633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi", + kinetics = ArrheniusBM(A=(0.00236873,'m^3/(mol*s)'), n=2.65003, w0=(411,'kJ/mol'), E0=(65.2677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18325487815644873, var=39.87745120160478, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi + Total Standard Deviation in ln(k): 13.120059851432867"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 13.120059851432867""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi +Total Standard Deviation in ln(k): 13.120059851432867 +""", +) + +entry( + index = 3634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.06435e-11,'m^3/(mol*s)'), n=4.85571, w0=(411,'kJ/mol'), E0=(59.0073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5223025350835504, var=178.26324325969085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi_Ext-9R!H-R + Total Standard Deviation in ln(k): 28.078590190865913"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi_Ext-9R!H-R +Total Standard Deviation in ln(k): 28.078590190865913""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-8BrCClFINOPSi-R_N-Sp-10R!H=8BrCClFINOPSi_Ext-9R!H-R +Total Standard Deviation in ln(k): 28.078590190865913 +""", +) + +entry( + index = 3635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.03866e-07,'m^3/(mol*s)'), n=4.04937, w0=(411,'kJ/mol'), E0=(20.8975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2933733761288204, var=21.006762761331988, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 9.925448406335823"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.925448406335823""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-1C-R_N-8BrCClFINOPSi-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.925448406335823 +""", +) + +entry( + index = 3636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(4.46056e-10,'m^3/(mol*s)'), n=4.67597, w0=(411,'kJ/mol'), E0=(51.0878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5077538087465266, var=8.269647259207813, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R + Total Standard Deviation in ln(k): 7.04077887448117"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.04077887448117""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.04077887448117 +""", +) + +entry( + index = 3637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.76506e-07,'m^3/(mol*s)'), n=3.91312, w0=(411,'kJ/mol'), E0=(55.5235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4583011723953387, var=7.061854676468295, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C + Total Standard Deviation in ln(k): 6.4789236223665885"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C +Total Standard Deviation in ln(k): 6.4789236223665885""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C +Total Standard Deviation in ln(k): 6.4789236223665885 +""", +) + +entry( + index = 3638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + kinetics = ArrheniusBM(A=(7.45352e-10,'m^3/(mol*s)'), n=4.71554, w0=(411,'kJ/mol'), E0=(40.7494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5223057857507183, var=15.741063088599688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + Total Standard Deviation in ln(k): 9.266114242147525"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 9.266114242147525""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 9.266114242147525 +""", +) + +entry( + index = 3639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + kinetics = ArrheniusBM(A=(1.26866e-09,'m^3/(mol*s)'), n=4.54996, w0=(411,'kJ/mol'), E0=(52.9141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5633706940818153, var=9.76882484152542, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + Total Standard Deviation in ln(k): 7.681327662808757"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 7.681327662808757""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 7.681327662808757 +""", +) + +entry( + index = 3640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_8BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(9.56396e-11,'m^3/(mol*s)'), n=4.91735, w0=(411,'kJ/mol'), E0=(49.0215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6794970271192435, var=46.57311433456708, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_8BrCClFINOPSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_8BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 15.388492752167467"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 15.388492752167467""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 15.388492752167467 +""", +) + +entry( + index = 3641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-8BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(1.26606e-10,'m^3/(mol*s)'), n=4.791, w0=(411,'kJ/mol'), E0=(51.1309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48708977245543766, var=12.60346140892303, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-8BrCClFINOPSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-8BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 8.340924629548038"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 8.340924629548038""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_9R!H->C_N-Sp-9C#8BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-8BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 8.340924629548038 +""", +) + +entry( + index = 3642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.66206e-10,'m^3/(mol*s)'), n=4.68725, w0=(411,'kJ/mol'), E0=(59.1703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3991317725637017, var=39.22486419788142, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_N-9R!H->C + Total Standard Deviation in ln(k): 13.558450656949587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_N-9R!H->C +Total Standard Deviation in ln(k): 13.558450656949587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_Sp-6R!H=4C_Ext-1C-R_N-8R!H->S_N-1C-inRing_Ext-8BrCClFINOPSi-R_N-9R!H->C +Total Standard Deviation in ln(k): 13.558450656949587 +""", +) + +entry( + index = 3643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(7651.16,'m^3/(mol*s)'), n=0.712446, w0=(411,'kJ/mol'), E0=(77.521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5658429648140498, var=11.161817925340324, Tref=1000.0, N=93, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C',), comment="""BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C + Total Standard Deviation in ln(k): 8.119396952368943"""), + rank = 11, + shortDesc = """BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 8.119396952368943""", + longDesc = +""" +BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 8.119396952368943 +""", +) + +entry( + index = 3644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(16611.8,'m^3/(mol*s)'), n=0.609645, w0=(411,'kJ/mol'), E0=(77.8521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5802328210143849, var=11.381776159572821, Tref=1000.0, N=91, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R',), comment="""BM rule fitted to 91 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R + Total Standard Deviation in ln(k): 8.221223699137402"""), + rank = 11, + shortDesc = """BM rule fitted to 91 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R +Total Standard Deviation in ln(k): 8.221223699137402""", + longDesc = +""" +BM rule fitted to 91 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R +Total Standard Deviation in ln(k): 8.221223699137402 +""", +) + +entry( + index = 3645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(29965.9,'m^3/(mol*s)'), n=0.512746, w0=(411,'kJ/mol'), E0=(75.1912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6261196681886954, var=12.214284741970879, Tref=1000.0, N=73, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 73 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 8.579501781396168"""), + rank = 11, + shortDesc = """BM rule fitted to 73 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.579501781396168""", + longDesc = +""" +BM rule fitted to 73 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.579501781396168 +""", +) + +entry( + index = 3646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(110.14,'m^3/(mol*s)'), n=1.19476, w0=(411,'kJ/mol'), E0=(69.8552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5305151890726874, var=12.883252547638923, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 8.528598074832075"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 8.528598074832075""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 8.528598074832075 +""", +) + +entry( + index = 3647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(171.693,'m^3/(mol*s)'), n=1.39828, w0=(411,'kJ/mol'), E0=(73.094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.48393330404920976, var=7.621404730388639, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C + Total Standard Deviation in ln(k): 6.750363254571633"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C +Total Standard Deviation in ln(k): 6.750363254571633""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C +Total Standard Deviation in ln(k): 6.750363254571633 +""", +) + +entry( + index = 3648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C", + kinetics = ArrheniusBM(A=(0.000125092,'m^3/(mol*s)'), n=3.14719, w0=(411,'kJ/mol'), E0=(46.2487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33219369432586915, var=7.173180190047492, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C + Total Standard Deviation in ln(k): 6.20389805103059"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 6.20389805103059""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 6.20389805103059 +""", +) + +entry( + index = 3649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.68217e-16,'m^3/(mol*s)'), n=6.63509, w0=(411,'kJ/mol'), E0=(22.6287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2908159727466974, var=6.168082901662626, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 5.7095783443713355"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.7095783443713355""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.7095783443713355 +""", +) + +entry( + index = 3650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.37861e-07,'m^3/(mol*s)'), n=4.04327, w0=(411,'kJ/mol'), E0=(50.9549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2494539794380264, var=0.7323467694219887, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C + Total Standard Deviation in ln(k): 2.34236617310327"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C +Total Standard Deviation in ln(k): 2.34236617310327""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C +Total Standard Deviation in ln(k): 2.34236617310327 +""", +) + +entry( + index = 3651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(4.94711e-07,'m^3/(mol*s)'), n=3.90645, w0=(411,'kJ/mol'), E0=(57.2797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39368151692310965, var=1.5293847883801506, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_Sp-10C=9R!H + Total Standard Deviation in ln(k): 3.468371285868026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 3.468371285868026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_Sp-10C=9R!H +Total Standard Deviation in ln(k): 3.468371285868026 +""", +) + +entry( + index = 3652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_N-Sp-10C=9R!H", + kinetics = ArrheniusBM(A=(3.71215e-08,'m^3/(mol*s)'), n=4.18435, w0=(411,'kJ/mol'), E0=(44.3129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09374705334334507, var=0.1751773389942495, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_N-Sp-10C=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_N-Sp-10C=9R!H + Total Standard Deviation in ln(k): 1.0746110290147557"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 1.0746110290147557""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_10R!H->C_N-Sp-10C=9R!H +Total Standard Deviation in ln(k): 1.0746110290147557 +""", +) + +entry( + index = 3653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(8.61797e-07,'m^3/(mol*s)'), n=3.92909, w0=(411,'kJ/mol'), E0=(71.4286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.41301482685021146, var=56.03764155375104, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_N-10R!H->C + Total Standard Deviation in ln(k): 16.044830443407996"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_N-10R!H->C +Total Standard Deviation in ln(k): 16.044830443407996""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_Ext-9R!H-R_N-10R!H->C +Total Standard Deviation in ln(k): 16.044830443407996 +""", +) + +entry( + index = 3654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(0.0022754,'m^3/(mol*s)'), n=2.78892, w0=(411,'kJ/mol'), E0=(23.473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5138056668509827, var=1.0701040535110107, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 3.3647839289190626"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 3.3647839289190626""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 3.3647839289190626 +""", +) + +entry( + index = 3655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(97206.4,'m^3/(mol*s)'), n=0.337493, w0=(411,'kJ/mol'), E0=(-35.2222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23974672977443848, var=13.752470905387273, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 8.03680324326764"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 8.03680324326764""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 8.03680324326764 +""", +) + +entry( + index = 3656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.65337e-06,'m^3/(mol*s)'), n=3.64821, w0=(411,'kJ/mol'), E0=(63.1129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30162826419700967, var=8.94531435006651, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C + Total Standard Deviation in ln(k): 6.753765645495558"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 6.753765645495558""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 6.753765645495558 +""", +) + +entry( + index = 3657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(3.7226e-08,'m^3/(mol*s)'), n=4.19356, w0=(411,'kJ/mol'), E0=(72.689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21675817886348678, var=15.490661731127071, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 8.43489053572204"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 8.43489053572204""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 8.43489053572204 +""", +) + +entry( + index = 3658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(2.66719e-07,'m^3/(mol*s)'), n=3.90687, w0=(411,'kJ/mol'), E0=(67.1162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26565002852633024, var=99.3055601182565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 20.6450834891125"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 20.6450834891125""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 20.6450834891125 +""", +) + +entry( + index = 3659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(1.81531e-07,'m^3/(mol*s)'), n=4.03807, w0=(411,'kJ/mol'), E0=(82.1784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22033584679605422, var=1.0004526672265435, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 2.5587964202577536"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.5587964202577536""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.5587964202577536 +""", +) + +entry( + index = 3660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(2.84891e-07,'m^3/(mol*s)'), n=3.90188, w0=(411,'kJ/mol'), E0=(49.369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.379949794819279, var=2.3879047270950773, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_9R!H->C + Total Standard Deviation in ln(k): 4.05253411840666"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 4.05253411840666""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_9R!H->C +Total Standard Deviation in ln(k): 4.05253411840666 +""", +) + +entry( + index = 3661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.11103e-07,'m^3/(mol*s)'), n=4.03813, w0=(411,'kJ/mol'), E0=(41.79,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24167983742152482, var=1.5982545777560897, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 3.1416638305599416"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 3.1416638305599416""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_Sp-8R!H=1C_N-8R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 3.1416638305599416 +""", +) + +entry( + index = 3662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(0.00106369,'m^3/(mol*s)'), n=2.53257, w0=(411,'kJ/mol'), E0=(56.3237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.41705626220596564, var=14.227971337533955, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C + Total Standard Deviation in ln(k): 8.60973740281264"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 8.60973740281264""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 8.60973740281264 +""", +) + +entry( + index = 3663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.94718e-11,'m^3/(mol*s)'), n=4.56943, w0=(411,'kJ/mol'), E0=(42.9429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13602557481915567, var=13.457883983877153, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.696141173867979"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.696141173867979""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.696141173867979 +""", +) + +entry( + index = 3664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H", + kinetics = ArrheniusBM(A=(3.85385e-09,'m^3/(mol*s)'), n=4.27399, w0=(411,'kJ/mol'), E0=(44.9116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16076594286166315, var=5.061651115451432, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H + Total Standard Deviation in ln(k): 4.914210262834083"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 4.914210262834083""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 4.914210262834083 +""", +) + +entry( + index = 3665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(6.25301e-09,'m^3/(mol*s)'), n=4.15515, w0=(411,'kJ/mol'), E0=(33.0787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13042160763185495, var=4.027585867714223, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R + Total Standard Deviation in ln(k): 4.350964470350214"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R +Total Standard Deviation in ln(k): 4.350964470350214""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R +Total Standard Deviation in ln(k): 4.350964470350214 +""", +) + +entry( + index = 3666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.20888e-08,'m^3/(mol*s)'), n=3.94294, w0=(411,'kJ/mol'), E0=(29.1485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25975377016324563, var=24.08560756066241, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 10.491304031777283"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 10.491304031777283""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 10.491304031777283 +""", +) + +entry( + index = 3667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S", + kinetics = ArrheniusBM(A=(2.78258e-08,'m^3/(mol*s)'), n=4.09377, w0=(411,'kJ/mol'), E0=(49.8161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1456353512833483, var=4.208362716344563, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S + Total Standard Deviation in ln(k): 4.478490510090831"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S +Total Standard Deviation in ln(k): 4.478490510090831""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S +Total Standard Deviation in ln(k): 4.478490510090831 +""", +) + +entry( + index = 3668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.57141e-08,'m^3/(mol*s)'), n=3.9589, w0=(411,'kJ/mol'), E0=(45.4149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24616745077407406, var=18.765400470744936, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 9.302832982246192"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 9.302832982246192""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 9.302832982246192 +""", +) + +entry( + index = 3669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S", + kinetics = ArrheniusBM(A=(3.60055e-08,'m^3/(mol*s)'), n=3.9888, w0=(411,'kJ/mol'), E0=(56.9452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25500146817768554, var=12.639599526471114, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S + Total Standard Deviation in ln(k): 7.7679843461540266"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S +Total Standard Deviation in ln(k): 7.7679843461540266""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S +Total Standard Deviation in ln(k): 7.7679843461540266 +""", +) + +entry( + index = 3670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.99875e-08,'m^3/(mol*s)'), n=4.00202, w0=(411,'kJ/mol'), E0=(52.9596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2432514693826349, var=50.75607401756615, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 14.893578297245627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 14.893578297245627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_Sp-10R!H#8R!H_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 14.893578297245627 +""", +) + +entry( + index = 3671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H", + kinetics = ArrheniusBM(A=(1.18155e-08,'m^3/(mol*s)'), n=3.81159, w0=(411,'kJ/mol'), E0=(49.8615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.279086721698947, var=14.54176869779095, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H + Total Standard Deviation in ln(k): 8.346013722550628"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 8.346013722550628""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 8.346013722550628 +""", +) + +entry( + index = 3672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C", + kinetics = ArrheniusBM(A=(3.12818e-11,'m^3/(mol*s)'), n=4.50282, w0=(411,'kJ/mol'), E0=(42.4209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18103285772604585, var=14.206973145331926, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C + Total Standard Deviation in ln(k): 8.011131671883625"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C +Total Standard Deviation in ln(k): 8.011131671883625""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C +Total Standard Deviation in ln(k): 8.011131671883625 +""", +) + +entry( + index = 3673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.3437e-10,'m^3/(mol*s)'), n=4.13411, w0=(411,'kJ/mol'), E0=(33.6299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26675293984411297, var=18.55120358388426, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 9.30484965285558"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 9.30484965285558""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 9.30484965285558 +""", +) + +entry( + index = 3674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(3.26807e-08,'m^3/(mol*s)'), n=3.46026, w0=(411,'kJ/mol'), E0=(43.7868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40216125133343766, var=23.634845965242263, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 10.75661183116393"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 10.75661183116393""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 10.75661183116393 +""", +) + +entry( + index = 3675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.50436e-10,'m^3/(mol*s)'), n=3.96748, w0=(411,'kJ/mol'), E0=(13.8981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14216440655602225, var=32.30704013132019, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.751967302796587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.751967302796587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.751967302796587 +""", +) + +entry( + index = 3676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_9R!H->S", + kinetics = ArrheniusBM(A=(3.28996e-07,'m^3/(mol*s)'), n=3.52451, w0=(411,'kJ/mol'), E0=(77.2308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_9R!H->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_9R!H->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_9R!H->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_9R!H->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_N-9R!H->S", + kinetics = ArrheniusBM(A=(3.83752e-09,'m^3/(mol*s)'), n=3.71334, w0=(411,'kJ/mol'), E0=(49.2498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4494146611512638, var=171.42736818812543, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_N-9R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_N-9R!H->S + Total Standard Deviation in ln(k): 27.377233993225758"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_N-9R!H->S +Total Standard Deviation in ln(k): 27.377233993225758""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-8R!H-inRing_N-9R!H->S +Total Standard Deviation in ln(k): 27.377233993225758 +""", +) + +entry( + index = 3678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_9R!H->S", + kinetics = ArrheniusBM(A=(2.16412e-09,'m^3/(mol*s)'), n=3.9115, w0=(411,'kJ/mol'), E0=(8.35619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38333523669596387, var=4.186877265345429, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_9R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_9R!H->S + Total Standard Deviation in ln(k): 5.0652147682898505"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_9R!H->S +Total Standard Deviation in ln(k): 5.0652147682898505""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_9R!H->S +Total Standard Deviation in ln(k): 5.0652147682898505 +""", +) + +entry( + index = 3679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(8.3407e-11,'m^3/(mol*s)'), n=4.35731, w0=(411,'kJ/mol'), E0=(48.25,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01358895996320999, var=81.8317665007895, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-9R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-9R!H->S + Total Standard Deviation in ln(k): 18.169159513064795"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-9R!H->S +Total Standard Deviation in ln(k): 18.169159513064795""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-1C-R_N-9R!H->S +Total Standard Deviation in ln(k): 18.169159513064795 +""", +) + +entry( + index = 3680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.01759e-09,'m^3/(mol*s)'), n=3.82429, w0=(411,'kJ/mol'), E0=(60.7295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33080589712369185, var=178.44171644439376, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-9R!H-R + Total Standard Deviation in ln(k): 27.610838404829742"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 27.610838404829742""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_Ext-9R!H-R +Total Standard Deviation in ln(k): 27.610838404829742 +""", +) + +entry( + index = 3681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C", + kinetics = ArrheniusBM(A=(3.20152e-09,'m^3/(mol*s)'), n=4.09164, w0=(411,'kJ/mol'), E0=(56.5463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14948223831407184, var=10.274211765867593, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C + Total Standard Deviation in ln(k): 6.80144331361529"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C +Total Standard Deviation in ln(k): 6.80144331361529""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C +Total Standard Deviation in ln(k): 6.80144331361529 +""", +) + +entry( + index = 3682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.03254e-09,'m^3/(mol*s)'), n=4.14787, w0=(411,'kJ/mol'), E0=(54.9213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11818904284677363, var=17.9812048809137, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_8R!H-inRing + Total Standard Deviation in ln(k): 8.797886300183254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 8.797886300183254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 8.797886300183254 +""", +) + +entry( + index = 3683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(2.83467e-09,'m^3/(mol*s)'), n=4.10709, w0=(411,'kJ/mol'), E0=(57.5389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18106062191470826, var=51.52055762683904, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_N-8R!H-inRing + Total Standard Deviation in ln(k): 14.844477984107794"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 14.844477984107794""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_9R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 14.844477984107794 +""", +) + +entry( + index = 3684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.6853e-09,'m^3/(mol*s)'), n=4.18784, w0=(411,'kJ/mol'), E0=(55.3996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1316729700417758, var=18.92933762189435, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C + Total Standard Deviation in ln(k): 9.053009641059457"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 9.053009641059457""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C +Total Standard Deviation in ln(k): 9.053009641059457 +""", +) + +entry( + index = 3685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_8R!H-inRing", + kinetics = ArrheniusBM(A=(5.04956e-10,'m^3/(mol*s)'), n=4.27714, w0=(411,'kJ/mol'), E0=(52.7884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0443084223411536, var=75.50447253432843, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_8R!H-inRing + Total Standard Deviation in ln(k): 17.531134269144133"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 17.531134269144133""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 17.531134269144133 +""", +) + +entry( + index = 3686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.09522e-09,'m^3/(mol*s)'), n=4.08854, w0=(411,'kJ/mol'), E0=(58.0947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2193120135360099, var=51.52865336987032, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_N-8R!H-inRing + Total Standard Deviation in ln(k): 14.941717523391427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 14.941717523391427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_10R!H->C_N-9R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 14.941717523391427 +""", +) + +entry( + index = 3687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.12681e-07,'m^3/(mol*s)'), n=3.643, w0=(411,'kJ/mol'), E0=(54.9645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3518745794159682, var=22.087899112166173, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C + Total Standard Deviation in ln(k): 10.30591378086083"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C +Total Standard Deviation in ln(k): 10.30591378086083""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C +Total Standard Deviation in ln(k): 10.30591378086083 +""", +) + +entry( + index = 3688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S", + kinetics = ArrheniusBM(A=(3.19443e-09,'m^3/(mol*s)'), n=4.10776, w0=(411,'kJ/mol'), E0=(72.1211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30788110105212174, var=31.06776897187529, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S + Total Standard Deviation in ln(k): 11.947656949464152"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S +Total Standard Deviation in ln(k): 11.947656949464152""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S +Total Standard Deviation in ln(k): 11.947656949464152 +""", +) + +entry( + index = 3689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.99129e-09,'m^3/(mol*s)'), n=4.01116, w0=(411,'kJ/mol'), E0=(71.0234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23932474660864983, var=86.94973603325397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 19.294840025055095"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 19.294840025055095""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 19.294840025055095 +""", +) + +entry( + index = 3690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S", + kinetics = ArrheniusBM(A=(0.472656,'m^3/(mol*s)'), n=1.72411, w0=(411,'kJ/mol'), E0=(50.7121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4546406006425637, var=17.400702358213966, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S + Total Standard Deviation in ln(k): 9.504894861027502"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S +Total Standard Deviation in ln(k): 9.504894861027502""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S +Total Standard Deviation in ln(k): 9.504894861027502 +""", +) + +entry( + index = 3691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.77477e-07,'m^3/(mol*s)'), n=3.59941, w0=(411,'kJ/mol'), E0=(23.8406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0231739659382268, var=88.90566700522707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 21.473396145632606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 21.473396145632606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-8R!H-R_N-Sp-10R!H#8R!H_N-10R!H->C_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 21.473396145632606 +""", +) + +entry( + index = 3692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.07596e-05,'m^3/(mol*s)'), n=3.22148, w0=(411,'kJ/mol'), E0=(14.1525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9099876489029748, var=5.11782109377754, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 6.821633452423975"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.821633452423975""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.821633452423975 +""", +) + +entry( + index = 3693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_8R!H->S", + kinetics = ArrheniusBM(A=(2.81099e-05,'m^3/(mol*s)'), n=3.15774, w0=(411,'kJ/mol'), E0=(8.52304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.908150842267833, var=26.317023590256536, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_8R!H->S + Total Standard Deviation in ln(k): 12.56610113155828"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 12.56610113155828""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 12.56610113155828 +""", +) + +entry( + index = 3694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(5.75536e-06,'m^3/(mol*s)'), n=3.40713, w0=(411,'kJ/mol'), E0=(13.1068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0381137507008469, var=2.32406682953567, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_N-8R!H->S + Total Standard Deviation in ln(k): 5.664522658046442"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 5.664522658046442""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 5.664522658046442 +""", +) + +entry( + index = 3695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_8R!H->S", + kinetics = ArrheniusBM(A=(2.20389e-08,'m^3/(mol*s)'), n=4.05896, w0=(411,'kJ/mol'), E0=(22.0839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3167618880315094, var=5.251690777777983, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_8R!H->S + Total Standard Deviation in ln(k): 5.390048864449142"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_8R!H->S +Total Standard Deviation in ln(k): 5.390048864449142""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_8R!H->S +Total Standard Deviation in ln(k): 5.390048864449142 +""", +) + +entry( + index = 3696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.6563e-07,'m^3/(mol*s)'), n=3.84199, w0=(411,'kJ/mol'), E0=(31.0486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5593642996902077, var=0.5946041364115664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_N-8R!H->S + Total Standard Deviation in ln(k): 2.9513007606671584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_N-8R!H->S +Total Standard Deviation in ln(k): 2.9513007606671584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-Sp-8R!H=1C_N-8R!H->S +Total Standard Deviation in ln(k): 2.9513007606671584 +""", +) + +entry( + index = 3697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(65629.9,'m^3/(mol*s)'), n=0.486785, w0=(411,'kJ/mol'), E0=(66.7889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9651225078772905, var=5.1810843538083535, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 6.988107988785453"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 6.988107988785453""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 6.988107988785453 +""", +) + +entry( + index = 3698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Int-12R!H-9R!H_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(6.88e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(48.0437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Int-12R!H-9R!H_Ext-12R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Int-12R!H-9R!H_Ext-12R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Int-12R!H-9R!H_Ext-12R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Int-12R!H-9R!H_Ext-12R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000316273,'m^3/(mol*s)'), n=2.88224, w0=(411,'kJ/mol'), E0=(17.6407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.57539,'m^3/(mol*s)'), n=1.71428, w0=(411,'kJ/mol'), E0=(5.79357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.44e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(38.6336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(3.31e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(49.426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.0210985,'m^3/(mol*s)'), n=2.67464, w0=(411,'kJ/mol'), E0=(31.0591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6911820029714031, var=30.472798516827673, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 12.803211359712064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 12.803211359712064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 12.803211359712064 +""", +) + +entry( + index = 3704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.000598734,'m^3/(mol*s)'), n=2.75017, w0=(411,'kJ/mol'), E0=(77.8069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19892014655255494, var=6.468447933731697, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 5.598470873509679"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.598470873509679""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.598470873509679 +""", +) + +entry( + index = 3705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.31599e-08,'m^3/(mol*s)'), n=4.01939, w0=(411,'kJ/mol'), E0=(70.0276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06827529051204777, var=6.201876763092779, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.164051496391608"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.164051496391608""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.164051496391608 +""", +) + +entry( + index = 3706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H#8R!H", + kinetics = ArrheniusBM(A=(2.36624e-08,'m^3/(mol*s)'), n=4.19983, w0=(411,'kJ/mol'), E0=(74.0561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07488490633699617, var=40.85945774288286, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H#8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H#8R!H + Total Standard Deviation in ln(k): 13.002700930103948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H#8R!H +Total Standard Deviation in ln(k): 13.002700930103948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H#8R!H +Total Standard Deviation in ln(k): 13.002700930103948 +""", +) + +entry( + index = 3707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H", + kinetics = ArrheniusBM(A=(3.81785e-09,'m^3/(mol*s)'), n=4.08889, w0=(411,'kJ/mol'), E0=(67.5617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053620892632541065, var=5.205327923220307, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H + Total Standard Deviation in ln(k): 4.708566579978738"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H +Total Standard Deviation in ln(k): 4.708566579978738""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H +Total Standard Deviation in ln(k): 4.708566579978738 +""", +) + +entry( + index = 3708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C", + kinetics = ArrheniusBM(A=(1.0817e-09,'m^3/(mol*s)'), n=4.25808, w0=(411,'kJ/mol'), E0=(69.5742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012353145795985596, var=9.496893061678948, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C + Total Standard Deviation in ln(k): 6.209036053368107"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C +Total Standard Deviation in ln(k): 6.209036053368107""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C +Total Standard Deviation in ln(k): 6.209036053368107 +""", +) + +entry( + index = 3709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_8R!H-inRing", + kinetics = ArrheniusBM(A=(4.93005e-10,'m^3/(mol*s)'), n=4.40165, w0=(411,'kJ/mol'), E0=(67.8701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08544135280443149, var=11.440433144552857, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_8R!H-inRing + Total Standard Deviation in ln(k): 6.995434424769638"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 6.995434424769638""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_8R!H-inRing +Total Standard Deviation in ln(k): 6.995434424769638 +""", +) + +entry( + index = 3710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.51936e-10,'m^3/(mol*s)'), n=4.2753, w0=(411,'kJ/mol'), E0=(69.8763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04916553683176905, var=49.54330662589924, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_N-8R!H-inRing + Total Standard Deviation in ln(k): 14.234261561375325"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 14.234261561375325""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_9R!H->C_N-8R!H-inRing +Total Standard Deviation in ln(k): 14.234261561375325 +""", +) + +entry( + index = 3711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.6135e-09,'m^3/(mol*s)'), n=4.17154, w0=(411,'kJ/mol'), E0=(59.7754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14713857007042588, var=4.523484681194912, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_N-9R!H->C + Total Standard Deviation in ln(k): 4.633462757551543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 4.633462757551543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H#8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 4.633462757551543 +""", +) + +entry( + index = 3712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_8R!H->C", + kinetics = ArrheniusBM(A=(5.76983e-08,'m^3/(mol*s)'), n=4.08295, w0=(411,'kJ/mol'), E0=(55.9095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2215816926069028, var=3.216690143337548, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_8R!H->C + Total Standard Deviation in ln(k): 4.152257049392274"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 4.152257049392274""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 4.152257049392274 +""", +) + +entry( + index = 3713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.79422e-09,'m^3/(mol*s)'), n=4.31881, w0=(411,'kJ/mol'), E0=(59.3901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026596715399788206, var=18.098460325861286, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C + Total Standard Deviation in ln(k): 8.595427065387943"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 8.595427065387943""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 8.595427065387943 +""", +) + +entry( + index = 3714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(4.38324e+06,'m^3/(mol*s)'), n=0.185796, w0=(411,'kJ/mol'), E0=(86.8117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5053476877354155, var=6.896911543149401, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 6.534547382802616"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 6.534547382802616""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 6.534547382802616 +""", +) + +entry( + index = 3715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C", + kinetics = ArrheniusBM(A=(9.36849e+09,'m^3/(mol*s)'), n=-0.80019, w0=(411,'kJ/mol'), E0=(92.3742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5689793439331944, var=13.033709234975728, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C + Total Standard Deviation in ln(k): 8.667136783983157"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 8.667136783983157""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 8.667136783983157 +""", +) + +entry( + index = 3716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.75119e-08,'m^3/(mol*s)'), n=4.15929, w0=(411,'kJ/mol'), E0=(56.1361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09876968837010311, var=22.739678337982898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 9.807972562246263"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.807972562246263""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.807972562246263 +""", +) + +entry( + index = 3717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.67362e-07,'m^3/(mol*s)'), n=4.03585, w0=(411,'kJ/mol'), E0=(58.9793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25023959648572275, var=4.076225098664842, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C + Total Standard Deviation in ln(k): 4.676235354861424"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 4.676235354861424""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-5C-R_N-Sp-6R!H=4C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 4.676235354861424 +""", +) + +entry( + index = 3718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.030514,'m^3/(mol*s)'), n=2.2784, w0=(411,'kJ/mol'), E0=(65.4226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1811928933227201, var=6.661794628256616, Tref=1000.0, N=280, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C',), comment="""BM rule fitted to 280 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C + Total Standard Deviation in ln(k): 5.629570492704435"""), + rank = 11, + shortDesc = """BM rule fitted to 280 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 5.629570492704435""", + longDesc = +""" +BM rule fitted to 280 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 5.629570492704435 +""", +) + +entry( + index = 3719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.034269,'m^3/(mol*s)'), n=2.30302, w0=(411,'kJ/mol'), E0=(65.7608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13017922007781, var=6.572973757551483, Tref=1000.0, N=187, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing',), comment="""BM rule fitted to 187 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 5.466785458930178"""), + rank = 11, + shortDesc = """BM rule fitted to 187 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 5.466785458930178""", + longDesc = +""" +BM rule fitted to 187 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 5.466785458930178 +""", +) + +entry( + index = 3720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C", + kinetics = ArrheniusBM(A=(0.927619,'m^3/(mol*s)'), n=1.98971, w0=(411,'kJ/mol'), E0=(71.3729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19953552207113995, var=7.274117179100385, Tref=1000.0, N=93, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C',), comment="""BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C + Total Standard Deviation in ln(k): 5.90823057326459"""), + rank = 11, + shortDesc = """BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C +Total Standard Deviation in ln(k): 5.90823057326459""", + longDesc = +""" +BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C +Total Standard Deviation in ln(k): 5.90823057326459 +""", +) + +entry( + index = 3721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.366063,'m^3/(mol*s)'), n=2.05392, w0=(411,'kJ/mol'), E0=(68.9924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2674280824834716, var=8.01120266887056, Tref=1000.0, N=91, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R',), comment="""BM rule fitted to 91 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R + Total Standard Deviation in ln(k): 6.346145656189235"""), + rank = 11, + shortDesc = """BM rule fitted to 91 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 6.346145656189235""", + longDesc = +""" +BM rule fitted to 91 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R +Total Standard Deviation in ln(k): 6.346145656189235 +""", +) + +entry( + index = 3722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(172.776,'m^3/(mol*s)'), n=1.49648, w0=(411,'kJ/mol'), E0=(89.839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2630449401069404, var=17.345082915709188, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 9.010122992781652"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 9.010122992781652""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 9.010122992781652 +""", +) + +entry( + index = 3723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.42319e-08,'m^3/(mol*s)'), n=4.3922, w0=(411,'kJ/mol'), E0=(48.9258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10462608865352843, var=0.6190767013005687, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.8402337936164601"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8402337936164601""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8402337936164601 +""", +) + +entry( + index = 3724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(0.00022431,'m^3/(mol*s)'), n=3.18042, w0=(411,'kJ/mol'), E0=(58.7661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.056065762283266825, var=7.734524157139991, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 5.716239977092589"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 5.716239977092589""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 5.716239977092589 +""", +) + +entry( + index = 3725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.61627e-10,'m^3/(mol*s)'), n=4.74386, w0=(411,'kJ/mol'), E0=(44.5791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08133677489580682, var=8.340323395329992, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.993962091520611"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.993962091520611""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.993962091520611 +""", +) + +entry( + index = 3726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.52076e-09,'m^3/(mol*s)'), n=4.68462, w0=(411,'kJ/mol'), E0=(52.5037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04720805043105085, var=5.055312045899864, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 4.626063768992985"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 4.626063768992985""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 4.626063768992985 +""", +) + +entry( + index = 3727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(5.57787e-20,'m^3/(mol*s)'), n=7.69562, w0=(411,'kJ/mol'), E0=(14.7811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08609667299230374, var=4.552367495323839, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 4.493681747761879"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 4.493681747761879""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 4.493681747761879 +""", +) + +entry( + index = 3728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(3.44832e-08,'m^3/(mol*s)'), n=4.27935, w0=(411,'kJ/mol'), E0=(55.052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0011588944142258153, var=2.0620601589123977, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 2.881686347973892"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.881686347973892""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.881686347973892 +""", +) + +entry( + index = 3729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.27114e-07,'m^3/(mol*s)'), n=4.13937, w0=(411,'kJ/mol'), E0=(55.8615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1527060293844748, var=1.1668299676089073, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 2.5491963984485135"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 2.5491963984485135""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 2.5491963984485135 +""", +) + +entry( + index = 3730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(9.51212e-09,'m^3/(mol*s)'), n=4.41726, w0=(411,'kJ/mol'), E0=(54.2598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1529074105887881, var=12.413721400469235, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 7.447494907965058"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 7.447494907965058""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 7.447494907965058 +""", +) + +entry( + index = 3731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.21051e-07,'m^3/(mol*s)'), n=4.162, w0=(411,'kJ/mol'), E0=(77.9557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13395015158052428, var=27.304849914650223, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 10.812109428317278"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.812109428317278""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.812109428317278 +""", +) + +entry( + index = 3732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.71384e-06,'m^3/(mol*s)'), n=3.53143, w0=(411,'kJ/mol'), E0=(18.1241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2663957563346463, var=113.09101773671323, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 21.988543032101386"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 21.988543032101386""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 21.988543032101386 +""", +) + +entry( + index = 3733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.65788e-07,'m^3/(mol*s)'), n=4.02341, w0=(411,'kJ/mol'), E0=(87.5742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08456944043360885, var=27.238769135882563, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 10.675353610577377"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 10.675353610577377""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 10.675353610577377 +""", +) + +entry( + index = 3734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.30458e-08,'m^3/(mol*s)'), n=4.18324, w0=(411,'kJ/mol'), E0=(87.2304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07928920463379063, var=34.98536444867813, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 12.056911793026677"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.056911793026677""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.056911793026677 +""", +) + +entry( + index = 3735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.16362e-08,'m^3/(mol*s)'), n=4.2433, w0=(411,'kJ/mol'), E0=(92.1748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06617229088933878, var=68.22043815904192, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 16.72450465013717"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 16.72450465013717""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 16.72450465013717 +""", +) + +entry( + index = 3736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(6.85094e-08,'m^3/(mol*s)'), n=4.13979, w0=(411,'kJ/mol'), E0=(64.0524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10835866602799787, var=96.59409529735271, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 19.975254401825445"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 19.975254401825445""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 19.975254401825445 +""", +) + +entry( + index = 3737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.65412e-08,'m^3/(mol*s)'), n=4.27098, w0=(411,'kJ/mol'), E0=(120.838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02146738076921503, var=210.68637747380708, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 29.15274737769851"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 29.15274737769851""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 29.15274737769851 +""", +) + +entry( + index = 3738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(7.27812e-08,'m^3/(mol*s)'), n=4.13479, w0=(411,'kJ/mol'), E0=(77.6317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15331870705884162, var=99.99390097828962, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 20.431962300538885"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 20.431962300538885""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 20.431962300538885 +""", +) + +entry( + index = 3739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.47631e-08,'m^3/(mol*s)'), n=4.27104, w0=(411,'kJ/mol'), E0=(85.5127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.022209562758788732, var=178.2578475089639, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 26.82167009527306"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 26.82167009527306""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 26.82167009527306 +""", +) + +entry( + index = 3740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(0.0193102,'m^3/(mol*s)'), n=2.34527, w0=(411,'kJ/mol'), E0=(60.8875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2599510085398454, var=5.242917714758483, Tref=1000.0, N=67, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 5.243469031516772"""), + rank = 11, + shortDesc = """BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.243469031516772""", + longDesc = +""" +BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.243469031516772 +""", +) + +entry( + index = 3741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + kinetics = ArrheniusBM(A=(4.35204e-13,'m^3/(mol*s)'), n=5.44403, w0=(411,'kJ/mol'), E0=(26.1328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08596341036053931, var=3.056715181843135, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + Total Standard Deviation in ln(k): 3.720959850962602"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 3.720959850962602""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 3.720959850962602 +""", +) + +entry( + index = 3742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.90782e-13,'m^3/(mol*s)'), n=5.4845, w0=(411,'kJ/mol'), E0=(24.9825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06245749012989579, var=3.275065290373734, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 3.784925795781333"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.784925795781333""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.784925795781333 +""", +) + +entry( + index = 3743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.15101e-17,'m^3/(mol*s)'), n=6.52284, w0=(411,'kJ/mol'), E0=(16.7401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15453095327649669, var=3.337144709634605, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.050489393909991"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.050489393909991""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.050489393909991 +""", +) + +entry( + index = 3744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(9.98947e-19,'m^3/(mol*s)'), n=7.08126, w0=(411,'kJ/mol'), E0=(10.2595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14484900183074848, var=4.24732563561212, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 4.495508920183674"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.495508920183674""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.495508920183674 +""", +) + +entry( + index = 3745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.56483e-17,'m^3/(mol*s)'), n=6.69306, w0=(411,'kJ/mol'), E0=(6.03299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007360677094023042, var=7.238098697503656, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 5.411976239651457"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.411976239651457""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.411976239651457 +""", +) + +entry( + index = 3746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(7.32244e-08,'m^3/(mol*s)'), n=3.96287, w0=(411,'kJ/mol'), E0=(32.503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10759136282593704, var=4.425249779325684, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 4.48754643031799"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 4.48754643031799""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 4.48754643031799 +""", +) + +entry( + index = 3747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.00602e-07,'m^3/(mol*s)'), n=3.99034, w0=(411,'kJ/mol'), E0=(31.1017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(8.88617e-09,'m^3/(mol*s)'), n=4.19181, w0=(411,'kJ/mol'), E0=(31.0837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07584279282852734, var=13.33797521369291, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 7.512091402476189"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 7.512091402476189""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 7.512091402476189 +""", +) + +entry( + index = 3749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.38301e-09,'m^3/(mol*s)'), n=4.24407, w0=(411,'kJ/mol'), E0=(44.9701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09778243077230897, var=28.038487299586915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 10.861033550570966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.861033550570966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.861033550570966 +""", +) + +entry( + index = 3750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(2.68276e-09,'m^3/(mol*s)'), n=4.43042, w0=(411,'kJ/mol'), E0=(39.4509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04474471080568395, var=6.100788582994725, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 5.064074322559297"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 5.064074322559297""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 5.064074322559297 +""", +) + +entry( + index = 3751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(6.02146e-09,'m^3/(mol*s)'), n=4.32145, w0=(411,'kJ/mol'), E0=(42.5802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.047737387878576884, var=15.741113119598198, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 8.073743972970968"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 8.073743972970968""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 8.073743972970968 +""", +) + +entry( + index = 3752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.96764e-09,'m^3/(mol*s)'), n=4.47737, w0=(411,'kJ/mol'), E0=(36.8645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13033623363060878, var=23.05149087017923, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 9.952605645333568"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 9.952605645333568""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 9.952605645333568 +""", +) + +entry( + index = 3753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.07598e-08,'m^3/(mol*s)'), n=4.02725, w0=(411,'kJ/mol'), E0=(45.3593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2152498755966216, var=5.939890622075256, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 5.4267472763542415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 5.4267472763542415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 5.4267472763542415 +""", +) + +entry( + index = 3754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.12611e-09,'m^3/(mol*s)'), n=4.14441, w0=(411,'kJ/mol'), E0=(30.0824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13889220008236763, var=3.317825065427574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.0005798579170975"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.0005798579170975""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.0005798579170975 +""", +) + +entry( + index = 3755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.18457e-08,'m^3/(mol*s)'), n=4.00662, w0=(411,'kJ/mol'), E0=(26.4906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3297802185359096, var=24.127928426870692, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 10.675889849076471"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 10.675889849076471""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 10.675889849076471 +""", +) + +entry( + index = 3756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + kinetics = ArrheniusBM(A=(3.41816,'m^3/(mol*s)'), n=1.67917, w0=(411,'kJ/mol'), E0=(69.958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33606913042104947, var=5.375188510892572, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S',), comment="""BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + Total Standard Deviation in ln(k): 5.492263375526413"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 5.492263375526413""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 5.492263375526413 +""", +) + +entry( + index = 3757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing", + kinetics = ArrheniusBM(A=(3.09446e-05,'m^3/(mol*s)'), n=3.10166, w0=(411,'kJ/mol'), E0=(58.3086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15976624119049967, var=4.973792887595363, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing + Total Standard Deviation in ln(k): 4.872383267116739"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 4.872383267116739""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 4.872383267116739 +""", +) + +entry( + index = 3758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.30307e-05,'m^3/(mol*s)'), n=3.16402, w0=(411,'kJ/mol'), E0=(56.0623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20973485904421374, var=5.6278493987462825, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 5.282822823919417"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.282822823919417""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.282822823919417 +""", +) + +entry( + index = 3759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.38057e-05,'m^3/(mol*s)'), n=2.89263, w0=(411,'kJ/mol'), E0=(57.3751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2994596410981355, var=8.147870777757609, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.474822275280577"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.474822275280577""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.474822275280577 +""", +) + +entry( + index = 3760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(4.80752e-10,'m^3/(mol*s)'), n=4.31425, w0=(411,'kJ/mol'), E0=(47.7188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12119351983306961, var=5.817282226557571, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R + Total Standard Deviation in ln(k): 5.1397354324847875"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.1397354324847875""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.1397354324847875 +""", +) + +entry( + index = 3761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + kinetics = ArrheniusBM(A=(1.57392e-12,'m^3/(mol*s)'), n=4.98828, w0=(411,'kJ/mol'), E0=(40.3473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0050590443405504806, var=7.167810849121788, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + Total Standard Deviation in ln(k): 5.37994179915636"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 5.37994179915636""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 5.37994179915636 +""", +) + +entry( + index = 3762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.13747e-10,'m^3/(mol*s)'), n=4.30754, w0=(411,'kJ/mol'), E0=(58.9975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12241564742247442, var=3.7691620939739985, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.199635839334988"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.199635839334988""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.199635839334988 +""", +) + +entry( + index = 3763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C", + kinetics = ArrheniusBM(A=(3.83667e-10,'m^3/(mol*s)'), n=4.20039, w0=(411,'kJ/mol'), E0=(61.7019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17361920000424297, var=2.1738120766706435, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C + Total Standard Deviation in ln(k): 3.3919811176281907"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C +Total Standard Deviation in ln(k): 3.3919811176281907""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C +Total Standard Deviation in ln(k): 3.3919811176281907 +""", +) + +entry( + index = 3764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C", + kinetics = ArrheniusBM(A=(8.11831e-10,'m^3/(mol*s)'), n=4.17585, w0=(411,'kJ/mol'), E0=(58.3746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09584758610892669, var=19.193109320994477, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C + Total Standard Deviation in ln(k): 9.023555630637036"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C +Total Standard Deviation in ln(k): 9.023555630637036""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C +Total Standard Deviation in ln(k): 9.023555630637036 +""", +) + +entry( + index = 3765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C", + kinetics = ArrheniusBM(A=(3.08696e-09,'m^3/(mol*s)'), n=3.94625, w0=(411,'kJ/mol'), E0=(43.2255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.265779006258012, var=29.265787837310814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C + Total Standard Deviation in ln(k): 11.512974809452036"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 11.512974809452036""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 11.512974809452036 +""", +) + +entry( + index = 3766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + kinetics = ArrheniusBM(A=(2.61144e-09,'m^3/(mol*s)'), n=4.23493, w0=(411,'kJ/mol'), E0=(35.2116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.062031707389107946, var=0.19939009085873796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C + Total Standard Deviation in ln(k): 1.051035272325174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 1.051035272325174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 1.051035272325174 +""", +) + +entry( + index = 3767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.06148e-07,'m^3/(mol*s)'), n=3.83232, w0=(411,'kJ/mol'), E0=(60.1532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.41899182399332174, var=2.982545985678785, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + Total Standard Deviation in ln(k): 4.514930613663361"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 4.514930613663361""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 4.514930613663361 +""", +) + +entry( + index = 3768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(3.62823e-10,'m^3/(mol*s)'), n=4.52232, w0=(411,'kJ/mol'), E0=(46.7195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013562554841452266, var=3.7117767862237203, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R + Total Standard Deviation in ln(k): 3.896393765703432"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 3.896393765703432""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 3.896393765703432 +""", +) + +entry( + index = 3769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.29385e-08,'m^3/(mol*s)'), n=4.01784, w0=(411,'kJ/mol'), E0=(53.5981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2635507099133803, var=10.308457673747236, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.09874791271773"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.09874791271773""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.09874791271773 +""", +) + +entry( + index = 3770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(5.17061e-09,'m^3/(mol*s)'), n=4.05721, w0=(411,'kJ/mol'), E0=(45.2806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1892311028397735, var=2.5617258861030225, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C + Total Standard Deviation in ln(k): 3.6841122065461778"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 3.6841122065461778""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 3.6841122065461778 +""", +) + +entry( + index = 3771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(2.72566e-10,'m^3/(mol*s)'), n=4.57291, w0=(411,'kJ/mol'), E0=(56.5043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16969528413441273, var=51.52183588554736, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C + Total Standard Deviation in ln(k): 14.816100365017"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 14.816100365017""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 14.816100365017 +""", +) + +entry( + index = 3772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.29315e-09,'m^3/(mol*s)'), n=4.31224, w0=(411,'kJ/mol'), E0=(53.7034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01309545074014308, var=27.13100581796511, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-9R!H->C + Total Standard Deviation in ln(k): 10.475053362911254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.475053362911254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.475053362911254 +""", +) + +entry( + index = 3773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_7C-inRing", + kinetics = ArrheniusBM(A=(1.63886e-09,'m^3/(mol*s)'), n=4.38078, w0=(411,'kJ/mol'), E0=(45.2403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07690116790430956, var=12.480999547070217, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_7C-inRing + Total Standard Deviation in ln(k): 7.275638941632056"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 7.275638941632056""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 7.275638941632056 +""", +) + +entry( + index = 3774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(1.31797e-08,'m^3/(mol*s)'), n=4.13797, w0=(411,'kJ/mol'), E0=(46.4209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05122295668993393, var=1.1159952165432987, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing + Total Standard Deviation in ln(k): 2.2465165592753054"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 2.2465165592753054""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 2.2465165592753054 +""", +) + +entry( + index = 3775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(2.29e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(48.9528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.216449660062578e-16, var=3.7599699192678625e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C + Total Standard Deviation in ln(k): 4.06862782259891e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C +Total Standard Deviation in ln(k): 4.06862782259891e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C +Total Standard Deviation in ln(k): 4.06862782259891e-14 +""", +) + +entry( + index = 3776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(8.52176e-09,'m^3/(mol*s)'), n=4.20798, w0=(411,'kJ/mol'), E0=(41.5098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07879718045848792, var=1.4152373117845238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C + Total Standard Deviation in ln(k): 2.5828908324450146"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 2.5828908324450146""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 2.5828908324450146 +""", +) + +entry( + index = 3777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.2746e-09,'m^3/(mol*s)'), n=4.45094, w0=(411,'kJ/mol'), E0=(52.7651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1480162224968532, var=3.7658399917682663, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 4.262243303087055"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 4.262243303087055""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 4.262243303087055 +""", +) + +entry( + index = 3778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.15013e-08,'m^3/(mol*s)'), n=4.20394, w0=(411,'kJ/mol'), E0=(52.7004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15391503733653958, var=3.9447913385330104, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 4.368425529056575"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.368425529056575""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.368425529056575 +""", +) + +entry( + index = 3779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_Sp-8C#7C", + kinetics = ArrheniusBM(A=(3.1168e-09,'m^3/(mol*s)'), n=4.43275, w0=(411,'kJ/mol'), E0=(45.2414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1304409889037211, var=5.682449728374043, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_Sp-8C#7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_Sp-8C#7C + Total Standard Deviation in ln(k): 5.106606490802312"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_Sp-8C#7C +Total Standard Deviation in ln(k): 5.106606490802312""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_Sp-8C#7C +Total Standard Deviation in ln(k): 5.106606490802312 +""", +) + +entry( + index = 3780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C", + kinetics = ArrheniusBM(A=(9.00445e-10,'m^3/(mol*s)'), n=4.48773, w0=(411,'kJ/mol'), E0=(52.9233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20445421066381528, var=5.0011662207804575, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C + Total Standard Deviation in ln(k): 4.996950710922718"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C +Total Standard Deviation in ln(k): 4.996950710922718""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C +Total Standard Deviation in ln(k): 4.996950710922718 +""", +) + +entry( + index = 3781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing", + kinetics = ArrheniusBM(A=(3.99377e-10,'m^3/(mol*s)'), n=4.63456, w0=(411,'kJ/mol'), E0=(51.6276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2840060553722963, var=26.79118386473691, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing + Total Standard Deviation in ln(k): 11.090132068630643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing +Total Standard Deviation in ln(k): 11.090132068630643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing +Total Standard Deviation in ln(k): 11.090132068630643 +""", +) + +entry( + index = 3782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(5.29189e-10,'m^3/(mol*s)'), n=4.50821, w0=(411,'kJ/mol'), E0=(52.7645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13978145212070345, var=3.804784676628748, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing + Total Standard Deviation in ln(k): 4.261617306178533"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 4.261617306178533""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 4.261617306178533 +""", +) + +entry( + index = 3783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.72415e-10,'m^3/(mol*s)'), n=4.40445, w0=(411,'kJ/mol'), E0=(59.8608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05722583401292807, var=1.609910260551631, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.687436257278292"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.687436257278292""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-1C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.687436257278292 +""", +) + +entry( + index = 3784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(0.0922434,'m^3/(mol*s)'), n=2.10989, w0=(411,'kJ/mol'), E0=(61.2126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47352639540738023, var=4.068585412990507, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R + Total Standard Deviation in ln(k): 5.233462766287225"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.233462766287225""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.233462766287225 +""", +) + +entry( + index = 3785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(3.25e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(50.3406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.04061e-07,'m^3/(mol*s)'), n=3.87793, w0=(411,'kJ/mol'), E0=(15.3974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(4.66e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(44.5105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-7C-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.24e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(42.7346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Sp-7C-1C", + kinetics = ArrheniusBM(A=(6.75e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(49.1962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-Sp-7C-1C", + kinetics = ArrheniusBM(A=(2.64812e-06,'m^3/(mol*s)'), n=3.85628, w0=(411,'kJ/mol'), E0=(27.0474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2829560847653553, var=57.874395540495605, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-Sp-7C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-Sp-7C-1C + Total Standard Deviation in ln(k): 15.962011742871328"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-Sp-7C-1C +Total Standard Deviation in ln(k): 15.962011742871328""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-Sp-7C-1C +Total Standard Deviation in ln(k): 15.962011742871328 +""", +) + +entry( + index = 3791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C", + kinetics = ArrheniusBM(A=(0.000282533,'m^3/(mol*s)'), n=2.81572, w0=(411,'kJ/mol'), E0=(58.7263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012322497447524375, var=6.193127825476289, Tref=1000.0, N=94, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C',), comment="""BM rule fitted to 94 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C + Total Standard Deviation in ln(k): 5.019943902714717"""), + rank = 11, + shortDesc = """BM rule fitted to 94 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C +Total Standard Deviation in ln(k): 5.019943902714717""", + longDesc = +""" +BM rule fitted to 94 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C +Total Standard Deviation in ln(k): 5.019943902714717 +""", +) + +entry( + index = 3792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing", + kinetics = ArrheniusBM(A=(5.87677e-05,'m^3/(mol*s)'), n=3.01382, w0=(411,'kJ/mol'), E0=(57.3078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07054610292171049, var=6.358183653702226, Tref=1000.0, N=86, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing',), comment="""BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing + Total Standard Deviation in ln(k): 5.232279025992995"""), + rank = 11, + shortDesc = """BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 5.232279025992995""", + longDesc = +""" +BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 5.232279025992995 +""", +) + +entry( + index = 3793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.74618e-06,'m^3/(mol*s)'), n=3.36639, w0=(411,'kJ/mol'), E0=(54.2647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05461450322069255, var=7.799728606387409, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 5.736045333467286"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.736045333467286""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.736045333467286 +""", +) + +entry( + index = 3794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(0.152902,'m^3/(mol*s)'), n=2.19006, w0=(411,'kJ/mol'), E0=(82.3215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12780354463703755, var=17.897965306595598, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 8.802344033271519"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.802344033271519""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.802344033271519 +""", +) + +entry( + index = 3795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.1168e-09,'m^3/(mol*s)'), n=4.52423, w0=(411,'kJ/mol'), E0=(41.6756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17478693713887442, var=0.15919083243250232, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.2390269111563925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.2390269111563925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.2390269111563925 +""", +) + +entry( + index = 3796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(3.7081e-07,'m^3/(mol*s)'), n=3.7996, w0=(411,'kJ/mol'), E0=(54.1059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0929129463532514, var=7.475733778193747, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 5.714753787045121"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 5.714753787045121""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 5.714753787045121 +""", +) + +entry( + index = 3797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.1263e-14,'m^3/(mol*s)'), n=5.85462, w0=(411,'kJ/mol'), E0=(34.9662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2796618304492766, var=7.986780879877178, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.368228319860465"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.368228319860465""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.368228319860465 +""", +) + +entry( + index = 3798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.25231e-13,'m^3/(mol*s)'), n=5.59735, w0=(411,'kJ/mol'), E0=(43.6942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21350089877245448, var=5.7874972151171225, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 5.359269229656601"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.359269229656601""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.359269229656601 +""", +) + +entry( + index = 3799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.70301e-22,'m^3/(mol*s)'), n=8.23192, w0=(411,'kJ/mol'), E0=(-12.4277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24408399946858642, var=4.742948184606646, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 4.979250726214747"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 4.979250726214747""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 4.979250726214747 +""", +) + +entry( + index = 3800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.68792e-09,'m^3/(mol*s)'), n=4.41248, w0=(411,'kJ/mol'), E0=(51.9561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09217228699387099, var=3.0790801222171122, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 3.7493590136570503"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 3.7493590136570503""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 3.7493590136570503 +""", +) + +entry( + index = 3801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(9.99449e-09,'m^3/(mol*s)'), n=4.27139, w0=(411,'kJ/mol'), E0=(49.8543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05491432521416958, var=0.011583393255320894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 0.3537376570620288"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 0.3537376570620288""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 0.3537376570620288 +""", +) + +entry( + index = 3802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(7.48209e-10,'m^3/(mol*s)'), n=4.54929, w0=(411,'kJ/mol'), E0=(54.0853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.239269624656178, var=17.251837986169342, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 8.927913648772705"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 8.927913648772705""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 8.927913648772705 +""", +) + +entry( + index = 3803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.73948e-08,'m^3/(mol*s)'), n=4.29402, w0=(411,'kJ/mol'), E0=(77.9331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03176154575950779, var=20.900353173849474, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 9.244830999901186"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 9.244830999901186""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 9.244830999901186 +""", +) + +entry( + index = 3804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.18715e-11,'m^3/(mol*s)'), n=4.73849, w0=(411,'kJ/mol'), E0=(16.9065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41795249439890164, var=96.0766095789214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 20.700279812826185"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 20.700279812826185""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 20.700279812826185 +""", +) + +entry( + index = 3805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(7.98321e-07,'m^3/(mol*s)'), n=3.70207, w0=(411,'kJ/mol'), E0=(88.1164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05136046416112538, var=29.661082398562375, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 11.047232354654067"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 11.047232354654067""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 11.047232354654067 +""", +) + +entry( + index = 3806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.46987e-06,'m^3/(mol*s)'), n=3.6069, w0=(411,'kJ/mol'), E0=(89.5175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07034499642970012, var=38.128492806402015, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 12.555639208247424"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.555639208247424""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.555639208247424 +""", +) + +entry( + index = 3807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00021265,'m^3/(mol*s)'), n=2.99636, w0=(411,'kJ/mol'), E0=(98.4509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11931731970153718, var=74.36630353262319, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 17.587805515561552"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 17.587805515561552""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 17.587805515561552 +""", +) + +entry( + index = 3808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(5.38625e-09,'m^3/(mol*s)'), n=4.27181, w0=(411,'kJ/mol'), E0=(54.3357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04008094999829327, var=74.76621868619893, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 17.43514118239291"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 17.43514118239291""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 17.43514118239291 +""", +) + +entry( + index = 3809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.6551e-09,'m^3/(mol*s)'), n=4.40301, w0=(411,'kJ/mol'), E0=(118.415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053980772351658234, var=231.87189205094336, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 30.66241327918004"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 30.66241327918004""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 30.66241327918004 +""", +) + +entry( + index = 3810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(5.71678e-09,'m^3/(mol*s)'), n=4.26681, w0=(411,'kJ/mol'), E0=(75.7756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06830362021840847, var=113.15065230613571, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 21.496444323194535"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 21.496444323194535""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 21.496444323194535 +""", +) + +entry( + index = 3811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.73192e-09,'m^3/(mol*s)'), n=4.40307, w0=(411,'kJ/mol'), E0=(83.4658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055096579586009393, var=195.71794675293634, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 28.184523071674427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 28.184523071674427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 28.184523071674427 +""", +) + +entry( + index = 3812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(3.98081e-10,'m^3/(mol*s)'), n=4.39165, w0=(411,'kJ/mol'), E0=(38.1536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024406518274090745, var=4.0378059641556545, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 4.089696239890868"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.089696239890868""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.089696239890868 +""", +) + +entry( + index = 3813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + kinetics = ArrheniusBM(A=(1.14165e-14,'m^3/(mol*s)'), n=5.73878, w0=(411,'kJ/mol'), E0=(16.4482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13904719329995682, var=1.7246081401676008, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + Total Standard Deviation in ln(k): 2.9820698496543336"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 2.9820698496543336""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 2.9820698496543336 +""", +) + +entry( + index = 3814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.6676e-14,'m^3/(mol*s)'), n=5.6847, w0=(411,'kJ/mol'), E0=(15.816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09418470347670728, var=1.8459761093320914, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 2.9604124452083087"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.9604124452083087""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.9604124452083087 +""", +) + +entry( + index = 3815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.83381e-14,'m^3/(mol*s)'), n=5.61192, w0=(411,'kJ/mol'), E0=(18.0008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09826271029083519, var=1.9084483657254363, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.0163646213596773"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.0163646213596773""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.0163646213596773 +""", +) + +entry( + index = 3816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.03723e-16,'m^3/(mol*s)'), n=6.14985, w0=(411,'kJ/mol'), E0=(10.7242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15158837062750424, var=1.7406206679522096, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 3.02577408989965"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.02577408989965""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.02577408989965 +""", +) + +entry( + index = 3817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.5464e-14,'m^3/(mol*s)'), n=5.51973, w0=(411,'kJ/mol'), E0=(6.72563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045383159427070996, var=2.4811590608136114, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.2718256563959334"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.2718256563959334""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.2718256563959334 +""", +) + +entry( + index = 3818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(1.11584e-08,'m^3/(mol*s)'), n=4.08077, w0=(411,'kJ/mol'), E0=(27.0745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04122441706956414, var=1.6650182779113436, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 2.690400617450852"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.690400617450852""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.690400617450852 +""", +) + +entry( + index = 3819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(2.29439e-09,'m^3/(mol*s)'), n=4.25438, w0=(411,'kJ/mol'), E0=(20.6821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.73675e-09,'m^3/(mol*s)'), n=4.32383, w0=(411,'kJ/mol'), E0=(26.9752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01056651468181308, var=5.74378448656184, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 4.83113598432023"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 4.83113598432023""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 4.83113598432023 +""", +) + +entry( + index = 3821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.11624e-10,'m^3/(mol*s)'), n=4.3761, w0=(411,'kJ/mol'), E0=(35.4274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0372275252067942, var=10.259972358462736, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 6.514941834279382"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 6.514941834279382""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 6.514941834279382 +""", +) + +entry( + index = 3822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(1.24166e-10,'m^3/(mol*s)'), n=4.68494, w0=(411,'kJ/mol'), E0=(32.038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10851333086355279, var=3.6123011677304695, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 4.082857021937762"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 4.082857021937762""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 4.082857021937762 +""", +) + +entry( + index = 3823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(4.73855e-10,'m^3/(mol*s)'), n=4.45347, w0=(411,'kJ/mol'), E0=(33.0557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015663225233693047, var=8.12492721206789, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 5.75370341375821"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 5.75370341375821""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 5.75370341375821 +""", +) + +entry( + index = 3824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(3.83629e-10,'m^3/(mol*s)'), n=4.60939, w0=(411,'kJ/mol'), E0=(33.7552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1731264068195045, var=13.080571172881964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 7.685530816493402"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 7.685530816493402""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 7.685530816493402 +""", +) + +entry( + index = 3825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.47225e-09,'m^3/(mol*s)'), n=4.15927, w0=(411,'kJ/mol'), E0=(42.6769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13708986857926964, var=1.5870291462555695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 2.8699589315033958"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 2.8699589315033958""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 2.8699589315033958 +""", +) + +entry( + index = 3826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.67485e-10,'m^3/(mol*s)'), n=4.27643, w0=(411,'kJ/mol'), E0=(20.8671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.054917490044396514, var=0.39076323414976954, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 1.3911647453679674"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.3911647453679674""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.3911647453679674 +""", +) + +entry( + index = 3827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.86064e-09,'m^3/(mol*s)'), n=4.13864, w0=(411,'kJ/mol'), E0=(21.9983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21448933157086314, var=18.209245579998225, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 9.093582104632635"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 9.093582104632635""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 9.093582104632635 +""", +) + +entry( + index = 3828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + kinetics = ArrheniusBM(A=(9.38619e-10,'m^3/(mol*s)'), n=4.25968, w0=(411,'kJ/mol'), E0=(43.4971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011122911603423769, var=4.060122997069836, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + Total Standard Deviation in ln(k): 4.067437453058797"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 4.067437453058797""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 4.067437453058797 +""", +) + +entry( + index = 3829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.32137e-11,'m^3/(mol*s)'), n=4.75109, w0=(411,'kJ/mol'), E0=(37.2163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002075869371781775, var=4.57169043925694, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 4.2916424097822965"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.2916424097822965""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.2916424097822965 +""", +) + +entry( + index = 3830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.01993e-10,'m^3/(mol*s)'), n=4.42305, w0=(411,'kJ/mol'), E0=(37.8076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08849011525676898, var=6.628874257129128, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.383848242470708"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.383848242470708""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.383848242470708 +""", +) + +entry( + index = 3831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.64026e-22,'m^3/(mol*s)'), n=7.76491, w0=(411,'kJ/mol'), E0=(3.90517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3535834501728037, var=5.6351658729480425, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R + Total Standard Deviation in ln(k): 5.647341857856654"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.647341857856654""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.647341857856654 +""", +) + +entry( + index = 3832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + kinetics = ArrheniusBM(A=(2.7238e-21,'m^3/(mol*s)'), n=7.38057, w0=(411,'kJ/mol'), E0=(4.51138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1466958984872865, var=6.5252884143094105, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + Total Standard Deviation in ln(k): 5.489607063196943"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 5.489607063196943""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 5.489607063196943 +""", +) + +entry( + index = 3833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.24177e-09,'m^3/(mol*s)'), n=3.86453, w0=(411,'kJ/mol'), E0=(49.1076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10797737006638058, var=10.314205212339854, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.709654244294085"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.709654244294085""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.709654244294085 +""", +) + +entry( + index = 3834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C", + kinetics = ArrheniusBM(A=(3.02265e-11,'m^3/(mol*s)'), n=4.33241, w0=(411,'kJ/mol'), E0=(28.4128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.046081185033367486, var=51.11284510911301, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C + Total Standard Deviation in ln(k): 14.448284080040157"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C +Total Standard Deviation in ln(k): 14.448284080040157""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C +Total Standard Deviation in ln(k): 14.448284080040157 +""", +) + +entry( + index = 3835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C", + kinetics = ArrheniusBM(A=(3.92946e-10,'m^3/(mol*s)'), n=4.30787, w0=(411,'kJ/mol'), E0=(60.6244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02705740241241801, var=9.647573710816966, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C + Total Standard Deviation in ln(k): 6.294799558529087"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C +Total Standard Deviation in ln(k): 6.294799558529087""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C +Total Standard Deviation in ln(k): 6.294799558529087 +""", +) + +entry( + index = 3836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C", + kinetics = ArrheniusBM(A=(2.42351e-10,'m^3/(mol*s)'), n=4.07828, w0=(411,'kJ/mol'), E0=(34.1215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.170154480953466, var=42.52507967782069, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C + Total Standard Deviation in ln(k): 13.500653146108464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 13.500653146108464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 13.500653146108464 +""", +) + +entry( + index = 3837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + kinetics = ArrheniusBM(A=(5.09339e-10,'m^3/(mol*s)'), n=4.36695, w0=(411,'kJ/mol'), E0=(32.1609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007002806136814929, var=0.44478729309637965, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C + Total Standard Deviation in ln(k): 1.3546004330534285"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 1.3546004330534285""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 1.3546004330534285 +""", +) + +entry( + index = 3838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.14552e-08,'m^3/(mol*s)'), n=3.96435, w0=(411,'kJ/mol'), E0=(62.9946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30325318528934164, var=5.85639068565555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + Total Standard Deviation in ln(k): 5.613397705883565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 5.613397705883565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 5.613397705883565 +""", +) + +entry( + index = 3839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(5.09303e-24,'m^3/(mol*s)'), n=8.37009, w0=(411,'kJ/mol'), E0=(1.49973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2845330994883589, var=3.895033769026005, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R + Total Standard Deviation in ln(k): 4.6714203398311085"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 4.6714203398311085""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 4.6714203398311085 +""", +) + +entry( + index = 3840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.19347e-09,'m^3/(mol*s)'), n=4.08685, w0=(411,'kJ/mol'), E0=(50.248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22512722906943705, var=8.320564629557728, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.348382606603297"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.348382606603297""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.348382606603297 +""", +) + +entry( + index = 3841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(4.06524e-10,'m^3/(mol*s)'), n=4.18923, w0=(411,'kJ/mol'), E0=(33.7706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10046822503524204, var=7.741444812749251, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C + Total Standard Deviation in ln(k): 5.830297746361639"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 5.830297746361639""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 5.830297746361639 +""", +) + +entry( + index = 3842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(1.32268e-10,'m^3/(mol*s)'), n=4.70494, w0=(411,'kJ/mol'), E0=(58.9202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2201811404549339, var=34.81174200290171, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C + Total Standard Deviation in ln(k): 12.381451852545634"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 12.381451852545634""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 12.381451852545634 +""", +) + +entry( + index = 3843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Sp-9R!H#7C", + kinetics = ArrheniusBM(A=(1.66e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(39.3296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.665334536938671e-16, var=3.759969919267869e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Sp-9R!H#7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Sp-9R!H#7C + Total Standard Deviation in ln(k): 3.929152568249067e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Sp-9R!H#7C +Total Standard Deviation in ln(k): 3.929152568249067e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_Sp-9R!H#7C +Total Standard Deviation in ln(k): 3.929152568249067e-14 +""", +) + +entry( + index = 3844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C", + kinetics = ArrheniusBM(A=(1.90879e-24,'m^3/(mol*s)'), n=8.45597, w0=(411,'kJ/mol'), E0=(2.97773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22659063787754075, var=4.279516540974913, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C + Total Standard Deviation in ln(k): 4.716517139524485"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C +Total Standard Deviation in ln(k): 4.716517139524485""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C +Total Standard Deviation in ln(k): 4.716517139524485 +""", +) + +entry( + index = 3845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C", + kinetics = ArrheniusBM(A=(1.04469e-10,'m^3/(mol*s)'), n=4.5394, w0=(411,'kJ/mol'), E0=(38.6178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10784717904991879, var=1.0950606398679807, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C + Total Standard Deviation in ln(k): 2.36883074283695"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C +Total Standard Deviation in ln(k): 2.36883074283695""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C +Total Standard Deviation in ln(k): 2.36883074283695 +""", +) + +entry( + index = 3846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(1.29034e-10,'m^3/(mol*s)'), n=4.51281, w0=(411,'kJ/mol'), E0=(37.562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14241945942955198, var=5.528323900113727, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_7C-inRing + Total Standard Deviation in ln(k): 5.071448737792521"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_7C-inRing +Total Standard Deviation in ln(k): 5.071448737792521""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_7C-inRing +Total Standard Deviation in ln(k): 5.071448737792521 +""", +) + +entry( + index = 3847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(1.79995e-10,'m^3/(mol*s)'), n=4.47202, w0=(411,'kJ/mol'), E0=(40.5006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06430739228114818, var=1.4152586607311384, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_N-7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 2.546502317664698"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 2.546502317664698""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_9R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 2.546502317664698 +""", +) + +entry( + index = 3848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.39821e-10,'m^3/(mol*s)'), n=4.44427, w0=(411,'kJ/mol'), E0=(53.6469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04382367448100855, var=20.28454571065161, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_N-9R!H->C + Total Standard Deviation in ln(k): 9.139109303872994"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_N-9R!H->C +Total Standard Deviation in ln(k): 9.139109303872994""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-Sp-9R!H#7C_N-9R!H->C +Total Standard Deviation in ln(k): 9.139109303872994 +""", +) + +entry( + index = 3849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R", + kinetics = ArrheniusBM(A=(8.80095e-11,'m^3/(mol*s)'), n=4.63733, w0=(411,'kJ/mol'), E0=(47.1603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2188114447647736, var=3.3999072634073966, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R + Total Standard Deviation in ln(k): 4.246275920740678"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 4.246275920740678""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 4.246275920740678 +""", +) + +entry( + index = 3850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.40172e-10,'m^3/(mol*s)'), n=4.53865, w0=(411,'kJ/mol'), E0=(45.1536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23579381949142547, var=2.8380851967623615, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 3.9697472773963485"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 3.9697472773963485""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 3.9697472773963485 +""", +) + +entry( + index = 3851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C", + kinetics = ArrheniusBM(A=(6.08682e-10,'m^3/(mol*s)'), n=4.56477, w0=(411,'kJ/mol'), E0=(43.8722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19890258811826325, var=1.6017191970757962, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C + Total Standard Deviation in ln(k): 3.0369288231346014"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C +Total Standard Deviation in ln(k): 3.0369288231346014""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C +Total Standard Deviation in ln(k): 3.0369288231346014 +""", +) + +entry( + index = 3852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C", + kinetics = ArrheniusBM(A=(3.96162e-11,'m^3/(mol*s)'), n=4.69198, w0=(411,'kJ/mol'), E0=(44.3594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2696951133852835, var=2.8818076915576154, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C + Total Standard Deviation in ln(k): 4.080841702386648"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C +Total Standard Deviation in ln(k): 4.080841702386648""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C +Total Standard Deviation in ln(k): 4.080841702386648 +""", +) + +entry( + index = 3853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing", + kinetics = ArrheniusBM(A=(3.14001e-11,'m^3/(mol*s)'), n=4.76658, w0=(411,'kJ/mol'), E0=(44.0065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34147119614955784, var=16.52356984990657, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing + Total Standard Deviation in ln(k): 9.007054367419935"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing +Total Standard Deviation in ln(k): 9.007054367419935""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing +Total Standard Deviation in ln(k): 9.007054367419935 +""", +) + +entry( + index = 3854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(4.15933e-11,'m^3/(mol*s)'), n=4.64023, w0=(411,'kJ/mol'), E0=(44.5153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20020601376240862, var=0.5837364208349529, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing + Total Standard Deviation in ln(k): 2.0347008156547717"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 2.0347008156547717""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 2.0347008156547717 +""", +) + +entry( + index = 3855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.05134e-10,'m^3/(mol*s)'), n=4.53648, w0=(411,'kJ/mol'), E0=(56.6269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13115558885279385, var=1.6181089114382758, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.8796581052651185"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.8796581052651185""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.8796581052651185 +""", +) + +entry( + index = 3856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.02744e-05,'m^3/(mol*s)'), n=2.98048, w0=(411,'kJ/mol'), E0=(48.9229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31333389991173694, var=1.3286334461132085, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.0980563187064067"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0980563187064067""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0980563187064067 +""", +) + +entry( + index = 3857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.36e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(30.8991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(7.79e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(43.3104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.12e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(37.598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.02e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(50.1146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Ext-7R!H-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(1.62e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(41.9067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(1.91717e-08,'m^3/(mol*s)'), n=4.28468, w0=(411,'kJ/mol'), E0=(33.3115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1498534359706704, var=68.83050364261818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 17.00863055421359"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 17.00863055421359""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 17.00863055421359 +""", +) + +entry( + index = 3863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing", + kinetics = ArrheniusBM(A=(151.957,'m^3/(mol*s)'), n=1.2226, w0=(411,'kJ/mol'), E0=(68.5428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6471667073872623, var=3.880464301469427, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing + Total Standard Deviation in ln(k): 5.575153409341861"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing +Total Standard Deviation in ln(k): 5.575153409341861""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing +Total Standard Deviation in ln(k): 5.575153409341861 +""", +) + +entry( + index = 3864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00197271,'m^3/(mol*s)'), n=2.53202, w0=(411,'kJ/mol'), E0=(54.7894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5195182544149944, var=2.961098432132741, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.755038792178019"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.755038792178019""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.755038792178019 +""", +) + +entry( + index = 3865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.06e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(47.3585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(3.61e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(23.9007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.96e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(41.2436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.7e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(44.9388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(4.3e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(45.4525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(7.05196e-08,'m^3/(mol*s)'), n=4.11187, w0=(411,'kJ/mol'), E0=(34.233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37036097221239944, var=21.025778232402846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 10.1230423072624"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 10.1230423072624""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_1C-inRing_Ext-6C-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 10.1230423072624 +""", +) + +entry( + index = 3871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing", + kinetics = ArrheniusBM(A=(5.73096e-05,'m^3/(mol*s)'), n=2.95241, w0=(411,'kJ/mol'), E0=(58.552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2184571276710834, var=6.68935174582776, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing + Total Standard Deviation in ln(k): 5.7338901829293185"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 5.7338901829293185""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing +Total Standard Deviation in ln(k): 5.7338901829293185 +""", +) + +entry( + index = 3872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.66332e-05,'m^3/(mol*s)'), n=3.00219, w0=(411,'kJ/mol'), E0=(58.0058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21839178151694238, var=6.789974579128614, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 5.772577467452986"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.772577467452986""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.772577467452986 +""", +) + +entry( + index = 3873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(0.775297,'m^3/(mol*s)'), n=1.9741, w0=(411,'kJ/mol'), E0=(83.8177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2935063572494641, var=13.268060173495007, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 8.039770554359583"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.039770554359583""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.039770554359583 +""", +) + +entry( + index = 3874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.1023e-09,'m^3/(mol*s)'), n=4.35142, w0=(411,'kJ/mol'), E0=(45.9499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022160927853751632, var=7.537348471063834, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.559526886821747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.559526886821747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.559526886821747 +""", +) + +entry( + index = 3875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.307183,'m^3/(mol*s)'), n=2.06843, w0=(411,'kJ/mol'), E0=(85.3691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30140125132975853, var=15.706234602679759, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 8.702273623086873"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 8.702273623086873""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 8.702273623086873 +""", +) + +entry( + index = 3876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.46547e-11,'m^3/(mol*s)'), n=5.02285, w0=(411,'kJ/mol'), E0=(42.4895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05394458871920024, var=7.104571661939692, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.479040709298438"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.479040709298438""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.479040709298438 +""", +) + +entry( + index = 3877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(7.29633e-11,'m^3/(mol*s)'), n=4.86744, w0=(411,'kJ/mol'), E0=(50.8493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013659714288583674, var=5.692695206702093, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 4.817492418774227"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 4.817492418774227""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 4.817492418774227 +""", +) + +entry( + index = 3878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.53329e-22,'m^3/(mol*s)'), n=8.23426, w0=(411,'kJ/mol'), E0=(7.1909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018420156773097135, var=7.96988510914808, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 5.7058463796225904"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 5.7058463796225904""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 5.7058463796225904 +""", +) + +entry( + index = 3879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(9.9719e-09,'m^3/(mol*s)'), n=4.23863, w0=(411,'kJ/mol'), E0=(54.519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09032003416710409, var=1.0084362125511936, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 2.2401082625077158"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.2401082625077158""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.2401082625077158 +""", +) + +entry( + index = 3880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(3.67596e-08,'m^3/(mol*s)'), n=4.09858, w0=(411,'kJ/mol'), E0=(54.5859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.233892340074576, var=5.7555687111572595, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 5.397182284118208"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 5.397182284118208""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 5.397182284118208 +""", +) + +entry( + index = 3881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(2.75314e-09,'m^3/(mol*s)'), n=4.37648, w0=(411,'kJ/mol'), E0=(54.4722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0533334509775491, var=0.27118066117914186, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 1.1779696271681184"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 1.1779696271681184""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 1.1779696271681184 +""", +) + +entry( + index = 3882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(6.39988e-08,'m^3/(mol*s)'), n=4.12122, w0=(411,'kJ/mol'), E0=(78.316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22112528365461787, var=68.07547466793268, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 17.096231888762365"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 17.096231888762365""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 17.096231888762365 +""", +) + +entry( + index = 3883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.92743e-09,'m^3/(mol*s)'), n=4.12165, w0=(411,'kJ/mol'), E0=(5.04228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16362208774423806, var=57.57193985665755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 15.622273799388743"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.622273799388743""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 15.622273799388743 +""", +) + +entry( + index = 3884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.23239e-06,'m^3/(mol*s)'), n=3.54424, w0=(411,'kJ/mol'), E0=(90.0247,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20232713454616055, var=23.753238061485543, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 10.278895878707248"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.278895878707248""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.278895878707248 +""", +) + +entry( + index = 3885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000211624,'m^3/(mol*s)'), n=2.98621, w0=(411,'kJ/mol'), E0=(99.5372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24279733744038606, var=51.012337084755906, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 14.928447157517983"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 14.928447157517983""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 14.928447157517983 +""", +) + +entry( + index = 3886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.98257e-08,'m^3/(mol*s)'), n=4.09901, w0=(411,'kJ/mol'), E0=(59.0793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14661170457081504, var=40.31775321536542, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 13.09768954147771"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 13.09768954147771""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 13.09768954147771 +""", +) + +entry( + index = 3887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.34337e-08,'m^3/(mol*s)'), n=4.2302, w0=(411,'kJ/mol'), E0=(118.845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09360301799184477, var=133.83924376453314, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 23.427745471965114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 23.427745471965114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 23.427745471965114 +""", +) + +entry( + index = 3888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(2.10599e-08,'m^3/(mol*s)'), n=4.09401, w0=(411,'kJ/mol'), E0=(76.1968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2204502701834313, var=48.8040533337003, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 14.558953931782401"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 14.558953931782401""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 14.558953931782401 +""", +) + +entry( + index = 3889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.00597e-08,'m^3/(mol*s)'), n=4.23026, w0=(411,'kJ/mol'), E0=(83.8929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09527000639936402, var=106.87334843899635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 20.964236272127078"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 20.964236272127078""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 20.964236272127078 +""", +) + +entry( + index = 3890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(9.34095e-09,'m^3/(mol*s)'), n=4.34594, w0=(411,'kJ/mol'), E0=(35.854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0005286997528180862, var=1.3102658455031067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 2.2960853719729006"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 2.2960853719729006""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 2.2960853719729006 +""", +) + +entry( + index = 3891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.98626e-08,'m^3/(mol*s)'), n=4.22798, w0=(411,'kJ/mol'), E0=(80.123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10366143088055377, var=7.111502110299268, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 5.606563032683131"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 5.606563032683131""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 5.606563032683131 +""", +) + +entry( + index = 3892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(3.30376e-09,'m^3/(mol*s)'), n=4.07517, w0=(411,'kJ/mol'), E0=(41.8855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12254636530583654, var=4.5003364677938436, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 4.560749728579127"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.560749728579127""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.560749728579127 +""", +) + +entry( + index = 3893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + kinetics = ArrheniusBM(A=(1.67069e-13,'m^3/(mol*s)'), n=5.36152, w0=(411,'kJ/mol'), E0=(21.376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019957030283096165, var=0.8379292626372071, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + Total Standard Deviation in ln(k): 1.8852472340103417"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 1.8852472340103417""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 1.8852472340103417 +""", +) + +entry( + index = 3894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.85104e-13,'m^3/(mol*s)'), n=5.33836, w0=(411,'kJ/mol'), E0=(20.2397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006358681780329906, var=0.9325245609814243, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 1.951895350118359"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 1.951895350118359""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 1.951895350118359 +""", +) + +entry( + index = 3895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.61313e-12,'m^3/(mol*s)'), n=4.99252, w0=(411,'kJ/mol'), E0=(24.676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016812509976839116, var=0.872819260771678, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9151621545121071"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9151621545121071""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9151621545121071 +""", +) + +entry( + index = 3896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(3.06654e-10,'m^3/(mol*s)'), n=4.28292, w0=(411,'kJ/mol'), E0=(30.1331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06292230589578686, var=0.815358626601896, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.9683161034266299"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.9683161034266299""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.9683161034266299 +""", +) + +entry( + index = 3897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.14835e-10,'m^3/(mol*s)'), n=4.10363, w0=(411,'kJ/mol'), E0=(25.4095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1687619546750348, var=2.9653139764148286, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.8761962640952152"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.8761962640952152""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.8761962640952152 +""", +) + +entry( + index = 3898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.08267e-14,'m^3/(mol*s)'), n=5.71761, w0=(411,'kJ/mol'), E0=(16.0158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07464887847722437, var=0.49015810511939933, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.5911009312892053"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.5911009312892053""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.5911009312892053 +""", +) + +entry( + index = 3899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(3.59396e-09,'m^3/(mol*s)'), n=4.15527, w0=(411,'kJ/mol'), E0=(31.9164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07685440384373968, var=0.2973560394660745, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 1.2862908147616203"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 1.2862908147616203""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 1.2862908147616203 +""", +) + +entry( + index = 3900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.11017e-09,'m^3/(mol*s)'), n=4.16328, w0=(411,'kJ/mol'), E0=(25.069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11634517768650426, var=0.029840528274162535, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 0.6386307480435982"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.6386307480435982""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.6386307480435982 +""", +) + +entry( + index = 3901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.33347e-08,'m^3/(mol*s)'), n=3.90877, w0=(411,'kJ/mol'), E0=(26.7182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_Sp-9C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_Sp-9C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(2.57579e-09,'m^3/(mol*s)'), n=4.15103, w0=(411,'kJ/mol'), E0=(25.5799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10808553920325745, var=0.014870993777105664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 0.5160425018440856"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 0.5160425018440856""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Ext-1C-R_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 0.5160425018440856 +""", +) + +entry( + index = 3903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.74748e-09,'m^3/(mol*s)'), n=4.28067, w0=(411,'kJ/mol'), E0=(37.7705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09784181545506133, var=0.1813205362550425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 1.0994849693933684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 1.0994849693933684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 1.0994849693933684 +""", +) + +entry( + index = 3904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(5.67739e-10,'m^3/(mol*s)'), n=4.43659, w0=(411,'kJ/mol'), E0=(32.1809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05409009438322263, var=1.593301613352833, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 2.6664026954535824"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.6664026954535824""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.6664026954535824 +""", +) + +entry( + index = 3905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.65416e-14,'m^3/(mol*s)'), n=5.53209, w0=(411,'kJ/mol'), E0=(7.19224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021063782757460067, var=1.2465152218850184, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 2.2911595920996564"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 2.2911595920996564""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 2.2911595920996564 +""", +) + +entry( + index = 3906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.7877e-10,'m^3/(mol*s)'), n=4.20329, w0=(411,'kJ/mol'), E0=(36.3595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08731931862547891, var=3.2117578492389773, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.8121567589712098"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.8121567589712098""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.8121567589712098 +""", +) + +entry( + index = 3907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.78903e-08,'m^3/(mol*s)'), n=3.96584, w0=(411,'kJ/mol'), E0=(24.7171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3764186118251676, var=1.8676739897973682, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.6855038890890506"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.6855038890890506""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.6855038890890506 +""", +) + +entry( + index = 3908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + kinetics = ArrheniusBM(A=(1.49043e-09,'m^3/(mol*s)'), n=4.14358, w0=(411,'kJ/mol'), E0=(45.5879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12230813948976617, var=5.0013079821804, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + Total Standard Deviation in ln(k): 4.790617087030491"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 4.790617087030491""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 4.790617087030491 +""", +) + +entry( + index = 3909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.44863e-11,'m^3/(mol*s)'), n=4.60955, w0=(411,'kJ/mol'), E0=(39.5904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12437667691893524, var=5.993136796821268, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 5.2202728942841725"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.2202728942841725""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.2202728942841725 +""", +) + +entry( + index = 3910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.76434e-13,'m^3/(mol*s)'), n=5.02601, w0=(411,'kJ/mol'), E0=(35.1197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05120362430879079, var=9.632652288675759, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.35065124109044"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.35065124109044""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.35065124109044 +""", +) + +entry( + index = 3911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(3.77673e-24,'m^3/(mol*s)'), n=8.1604, w0=(411,'kJ/mol'), E0=(1.25604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2595383995343319, var=5.8838246005796275, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R + Total Standard Deviation in ln(k): 5.514911461030502"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.514911461030502""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 5.514911461030502 +""", +) + +entry( + index = 3912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.24883e-11,'m^3/(mol*s)'), n=4.39266, w0=(411,'kJ/mol'), E0=(54.5354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15342622266160938, var=1.2490868086281322, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.6260361101855305"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6260361101855305""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6260361101855305 +""", +) + +entry( + index = 3913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-10R!H=7C", + kinetics = ArrheniusBM(A=(1.10923e-10,'m^3/(mol*s)'), n=4.15961, w0=(411,'kJ/mol'), E0=(58.2569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21214522871888788, var=2.3763646831695917, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-10R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-10R!H=7C + Total Standard Deviation in ln(k): 3.6234199511071705"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-10R!H=7C +Total Standard Deviation in ln(k): 3.6234199511071705""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_Sp-10R!H=7C +Total Standard Deviation in ln(k): 3.6234199511071705 +""", +) + +entry( + index = 3914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-10R!H=7C", + kinetics = ArrheniusBM(A=(2.35169e-10,'m^3/(mol*s)'), n=4.13507, w0=(411,'kJ/mol'), E0=(55.1633,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1439835717497476, var=2.0400640274500663, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-10R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-10R!H=7C + Total Standard Deviation in ln(k): 3.225147116856812"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-10R!H=7C +Total Standard Deviation in ln(k): 3.225147116856812""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_Ext-8R!H-R_N-Sp-10R!H=7C +Total Standard Deviation in ln(k): 3.225147116856812 +""", +) + +entry( + index = 3915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + kinetics = ArrheniusBM(A=(3.95311e-11,'m^3/(mol*s)'), n=4.43852, w0=(411,'kJ/mol'), E0=(32.1705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07442799552355968, var=9.57008039591311, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + Total Standard Deviation in ln(k): 6.388762542143428"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 6.388762542143428""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 6.388762542143428 +""", +) + +entry( + index = 3916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C#7C", + kinetics = ArrheniusBM(A=(7.55302e-10,'m^3/(mol*s)'), n=4.19415, w0=(411,'kJ/mol'), E0=(31.019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1119451515803208, var=9.130479528556563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C#7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C#7C + Total Standard Deviation in ln(k): 6.338913729103858"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C#7C +Total Standard Deviation in ln(k): 6.338913729103858""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C#7C +Total Standard Deviation in ln(k): 6.338913729103858 +""", +) + +entry( + index = 3917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C", + kinetics = ArrheniusBM(A=(1.80171e-12,'m^3/(mol*s)'), n=4.76145, w0=(411,'kJ/mol'), E0=(30.9917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20463212884250526, var=17.5151164572186, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C + Total Standard Deviation in ln(k): 8.904180890464147"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C +Total Standard Deviation in ln(k): 8.904180890464147""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C +Total Standard Deviation in ln(k): 8.904180890464147 +""", +) + +entry( + index = 3918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_7C-inRing", + kinetics = ArrheniusBM(A=(1.94135e-11,'m^3/(mol*s)'), n=4.54944, w0=(411,'kJ/mol'), E0=(32.5953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0893769736119049, var=7.585704592965513, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_7C-inRing + Total Standard Deviation in ln(k): 5.746038256187916"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_7C-inRing +Total Standard Deviation in ln(k): 5.746038256187916""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_7C-inRing +Total Standard Deviation in ln(k): 5.746038256187916 +""", +) + +entry( + index = 3919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(8.92951e-10,'m^3/(mol*s)'), n=3.90547, w0=(411,'kJ/mol'), E0=(38.7527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29146057616421844, var=79.8763108719935, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_N-7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_N-7C-inRing + Total Standard Deviation in ln(k): 18.649341677824424"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 18.649341677824424""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 18.649341677824424 +""", +) + +entry( + index = 3920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(3.07255e-08,'m^3/(mol*s)'), n=3.79154, w0=(411,'kJ/mol'), E0=(59.3527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47145704979429726, var=22.476182175710573, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + Total Standard Deviation in ln(k): 10.688824417538896"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 10.688824417538896""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 10.688824417538896 +""", +) + +entry( + index = 3921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(4.87427e-15,'m^3/(mol*s)'), n=5.7231, w0=(411,'kJ/mol'), E0=(31.5424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1947321807785159, var=3.95640900125507, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R + Total Standard Deviation in ln(k): 4.476840042246072"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 4.476840042246072""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 4.476840042246072 +""", +) + +entry( + index = 3922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_7C-inRing", + kinetics = ArrheniusBM(A=(4.75e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(41.84,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1657341758563686e-15, var=1.802115760122465e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_7C-inRing + Total Standard Deviation in ln(k): 2.984112643942199e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 2.984112643942199e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_7C-inRing +Total Standard Deviation in ln(k): 2.984112643942199e-14 +""", +) + +entry( + index = 3923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(5.64405e-14,'m^3/(mol*s)'), n=5.40908, w0=(411,'kJ/mol'), E0=(34.75,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1621460915157573, var=4.722834590689869, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing + Total Standard Deviation in ln(k): 4.7641092765550965"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 4.7641092765550965""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing +Total Standard Deviation in ln(k): 4.7641092765550965 +""", +) + +entry( + index = 3924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.34892e-07,'m^3/(mol*s)'), n=3.5311, w0=(411,'kJ/mol'), E0=(53.142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12151829069462448, var=7.474726035586983, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.786257054148251"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.786257054148251""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.786257054148251 +""", +) + +entry( + index = 3925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(1.49681e-09,'m^3/(mol*s)'), n=4.01643, w0=(411,'kJ/mol'), E0=(38.8277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19610295560658875, var=26.257513735506226, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_Sp-9R!H=7C + Total Standard Deviation in ln(k): 10.76540171030852"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 10.76540171030852""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_Sp-9R!H=7C +Total Standard Deviation in ln(k): 10.76540171030852 +""", +) + +entry( + index = 3926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_N-Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(7.89014e-11,'m^3/(mol*s)'), n=4.53213, w0=(411,'kJ/mol'), E0=(53.477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09195937644079279, var=17.984060494155564, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_N-Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_N-Sp-9R!H=7C + Total Standard Deviation in ln(k): 8.73265760948516"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 8.73265760948516""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Ext-8R!H-R_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 8.73265760948516 +""", +) + +entry( + index = 3927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(6.61373e-15,'m^3/(mol*s)'), n=5.68252, w0=(411,'kJ/mol'), E0=(34.8112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18680179571119634, var=4.585149722604054, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C + Total Standard Deviation in ln(k): 4.7620829921985415"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C +Total Standard Deviation in ln(k): 4.7620829921985415""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C +Total Standard Deviation in ln(k): 4.7620829921985415 +""", +) + +entry( + index = 3928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_9R!H->C", + kinetics = ArrheniusBM(A=(6.61632e-10,'m^3/(mol*s)'), n=4.29922, w0=(411,'kJ/mol'), E0=(44.8428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06336140826523876, var=12.480960973649793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_9R!H->C + Total Standard Deviation in ln(k): 7.2416085006807345"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_9R!H->C +Total Standard Deviation in ln(k): 7.2416085006807345""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_9R!H->C +Total Standard Deviation in ln(k): 7.2416085006807345 +""", +) + +entry( + index = 3929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.74319e-10,'m^3/(mol*s)'), n=4.27146, w0=(411,'kJ/mol'), E0=(49.8109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06458548572549251, var=5.091041020652375, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_N-9R!H->C + Total Standard Deviation in ln(k): 4.685626073449752"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_N-9R!H->C +Total Standard Deviation in ln(k): 4.685626073449752""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_Sp-9R!H=7C_N-9R!H->C +Total Standard Deviation in ln(k): 4.685626073449752 +""", +) + +entry( + index = 3930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C", + kinetics = ArrheniusBM(A=(2.46632e-09,'m^3/(mol*s)'), n=4.16719, w0=(411,'kJ/mol'), E0=(38.1672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14117783341552229, var=5.528326459166341, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C + Total Standard Deviation in ln(k): 5.068330165402172"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 5.068330165402172""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-7C-R_N-7C-inRing_N-Sp-9R!H=7C +Total Standard Deviation in ln(k): 5.068330165402172 +""", +) + +entry( + index = 3931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R", + kinetics = ArrheniusBM(A=(2.46775e-10,'m^3/(mol*s)'), n=4.46023, w0=(411,'kJ/mol'), E0=(49.2189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0681440257229306, var=2.5342642207886796, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R + Total Standard Deviation in ln(k): 3.3626285992095846"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 3.3626285992095846""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 3.3626285992095846 +""", +) + +entry( + index = 3932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(5.96542e-10,'m^3/(mol*s)'), n=4.37713, w0=(411,'kJ/mol'), E0=(47.5864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08763418951409788, var=1.69107000640107, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 2.8271669064031832"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.8271669064031832""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.8271669064031832 +""", +) + +entry( + index = 3933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C", + kinetics = ArrheniusBM(A=(9.01604e-10,'m^3/(mol*s)'), n=4.39197, w0=(411,'kJ/mol'), E0=(42.4677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04389007093546295, var=1.3326244990186136, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C + Total Standard Deviation in ln(k): 2.4245298296310427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C +Total Standard Deviation in ln(k): 2.4245298296310427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_Sp-8C#7C +Total Standard Deviation in ln(k): 2.4245298296310427 +""", +) + +entry( + index = 3934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C", + kinetics = ArrheniusBM(A=(1.4696e-10,'m^3/(mol*s)'), n=4.51835, w0=(411,'kJ/mol'), E0=(48.8533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12343781955501519, var=1.1458570563148391, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C + Total Standard Deviation in ln(k): 2.456108183575478"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C +Total Standard Deviation in ln(k): 2.456108183575478""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C +Total Standard Deviation in ln(k): 2.456108183575478 +""", +) + +entry( + index = 3935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing", + kinetics = ArrheniusBM(A=(1.1566e-10,'m^3/(mol*s)'), n=4.59378, w0=(411,'kJ/mol'), E0=(48.4878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1896222457934071, var=3.188589969111131, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing + Total Standard Deviation in ln(k): 4.056217719754768"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing +Total Standard Deviation in ln(k): 4.056217719754768""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_7C-inRing +Total Standard Deviation in ln(k): 4.056217719754768 +""", +) + +entry( + index = 3936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(1.5335e-10,'m^3/(mol*s)'), n=4.46743, w0=(411,'kJ/mol'), E0=(49.0075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05945516121154567, var=2.2880872251199436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing + Total Standard Deviation in ln(k): 3.181832235112445"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 3.181832235112445""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_8R!H->C_N-Sp-8C#7C_N-7C-inRing +Total Standard Deviation in ln(k): 3.181832235112445 +""", +) + +entry( + index = 3937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.81453e-10,'m^3/(mol*s)'), n=4.36367, w0=(411,'kJ/mol'), E0=(57.1201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021643936672683262, var=4.835896702769604, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 4.462928973402635"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 4.462928973402635""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 4.462928973402635 +""", +) + +entry( + index = 3938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.05134e+06,'m^3/(mol*s)'), n=0.284346, w0=(411,'kJ/mol'), E0=(87.5296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3302878970055627, var=7.6509996219771, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C + Total Standard Deviation in ln(k): 6.37505459720936"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 6.37505459720936""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 6.37505459720936 +""", +) + +entry( + index = 3939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.60766e+06,'m^3/(mol*s)'), n=0.0116814, w0=(411,'kJ/mol'), E0=(86.7653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4279022167926948, var=8.846459510592199, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 7.037814408595165"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.037814408595165""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.037814408595165 +""", +) + +entry( + index = 3940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.32789e+07,'m^3/(mol*s)'), n=-0.201646, w0=(411,'kJ/mol'), E0=(86.1223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4867387811086907, var=9.915943598231566, Tref=1000.0, N=67, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 7.535790585440958"""), + rank = 11, + shortDesc = """BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.535790585440958""", + longDesc = +""" +BM rule fitted to 67 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.535790585440958 +""", +) + +entry( + index = 3941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(745424,'m^3/(mol*s)'), n=0.505173, w0=(411,'kJ/mol'), E0=(86.663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3610947653972292, var=9.79001749903339, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 7.179889596860712"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 7.179889596860712""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 7.179889596860712 +""", +) + +entry( + index = 3942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C", + kinetics = ArrheniusBM(A=(2955,'m^3/(mol*s)'), n=1.22448, w0=(411,'kJ/mol'), E0=(87.8751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33738468399352284, var=7.328565961107016, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C + Total Standard Deviation in ln(k): 6.274783540595735"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 6.274783540595735""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C +Total Standard Deviation in ln(k): 6.274783540595735 +""", +) + +entry( + index = 3943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C", + kinetics = ArrheniusBM(A=(5.36973e-05,'m^3/(mol*s)'), n=3.46132, w0=(411,'kJ/mol'), E0=(57.026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08162856639624666, var=6.549620471416624, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C + Total Standard Deviation in ln(k): 5.335660278307353"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 5.335660278307353""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 5.335660278307353 +""", +) + +entry( + index = 3944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(9.02681e-15,'m^3/(mol*s)'), n=6.28858, w0=(411,'kJ/mol'), E0=(26.6292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0030794990006740774, var=8.159319046034625, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 5.734167313103083"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 5.734167313103083""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 5.734167313103083 +""", +) + +entry( + index = 3945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(5.65586e-08,'m^3/(mol*s)'), n=4.30314, w0=(411,'kJ/mol'), E0=(50.5645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018951933101720764, var=0.6796129871581271, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 1.7002943173617502"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 1.7002943173617502""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 1.7002943173617502 +""", +) + +entry( + index = 3946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(2.0181e-07,'m^3/(mol*s)'), n=4.16712, w0=(411,'kJ/mol'), E0=(57.5207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14292842695087804, var=0.01795176653435344, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 0.6277194813094413"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 0.6277194813094413""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 0.6277194813094413 +""", +) + +entry( + index = 3947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.51225e-08,'m^3/(mol*s)'), n=4.44502, w0=(411,'kJ/mol'), E0=(42.9606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20106058320688305, var=1.0413515723441538, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 2.550942032732818"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 2.550942032732818""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 2.550942032732818 +""", +) + +entry( + index = 3948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.51733e-07,'m^3/(mol*s)'), n=4.18976, w0=(411,'kJ/mol'), E0=(71.0028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17193662528807108, var=79.6459343261515, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 18.323173743278204"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 18.323173743278204""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_7R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 18.323173743278204 +""", +) + +entry( + index = 3949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.46521e-06,'m^3/(mol*s)'), n=3.86501, w0=(411,'kJ/mol'), E0=(74.0975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11527802233511267, var=8.591827565273224, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C + Total Standard Deviation in ln(k): 6.165886525503709"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 6.165886525503709""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 6.165886525503709 +""", +) + +entry( + index = 3950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(7.78057e-11,'m^3/(mol*s)'), n=5.11033, w0=(411,'kJ/mol'), E0=(72.2415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5387895173660268, var=17.68216647636547, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 9.783687230770616"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.783687230770616""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 9.783687230770616 +""", +) + +entry( + index = 3951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_Sp-9R!H=8C", + kinetics = ArrheniusBM(A=(1.08825e-07,'m^3/(mol*s)'), n=4.16754, w0=(411,'kJ/mol'), E0=(71.377,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11094961046256079, var=73.31452027516266, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_Sp-9R!H=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_Sp-9R!H=8C + Total Standard Deviation in ln(k): 17.444091182942543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_Sp-9R!H=8C +Total Standard Deviation in ln(k): 17.444091182942543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_Sp-9R!H=8C +Total Standard Deviation in ln(k): 17.444091182942543 +""", +) + +entry( + index = 3952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_N-Sp-9R!H=8C", + kinetics = ArrheniusBM(A=(7.38726e-08,'m^3/(mol*s)'), n=4.29874, w0=(411,'kJ/mol'), E0=(88.7255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005489623257470892, var=0.9562071086133055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_N-Sp-9R!H=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_N-Sp-9R!H=8C + Total Standard Deviation in ln(k): 1.9741401180850227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_N-Sp-9R!H=8C +Total Standard Deviation in ln(k): 1.9741401180850227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_8R!H->C_N-7R!H->C_Ext-8C-R_N-Sp-9R!H=8C +Total Standard Deviation in ln(k): 1.9741401180850227 +""", +) + +entry( + index = 3953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.18271e+15,'m^3/(mol*s)'), n=-2.31615, w0=(411,'kJ/mol'), E0=(85.2248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45897248750014163, var=22.55208898566646, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C + Total Standard Deviation in ln(k): 10.673491587254754"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 10.673491587254754""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C +Total Standard Deviation in ln(k): 10.673491587254754 +""", +) + +entry( + index = 3954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_7R!H->C", + kinetics = ArrheniusBM(A=(2.08162e+08,'m^3/(mol*s)'), n=-0.296151, w0=(411,'kJ/mol'), E0=(-45.3546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05682784655782794, var=5.278637457695401, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_7R!H->C + Total Standard Deviation in ln(k): 4.748719618128699"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 4.748719618128699""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 4.748719618128699 +""", +) + +entry( + index = 3955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.66554e-08,'m^3/(mol*s)'), n=4.2988, w0=(411,'kJ/mol'), E0=(49.7221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006076010417879086, var=0.2750106230948474, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_N-7R!H->C + Total Standard Deviation in ln(k): 1.0665786067491227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 1.0665786067491227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_Sp-7R!H=1C_N-8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 1.0665786067491227 +""", +) + +entry( + index = 3956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(120424,'m^3/(mol*s)'), n=0.351051, w0=(411,'kJ/mol'), E0=(78.7939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45495488589165545, var=9.527743333936018, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 7.331127079097729"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 7.331127079097729""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 7.331127079097729 +""", +) + +entry( + index = 3957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing", + kinetics = ArrheniusBM(A=(1.32533,'m^3/(mol*s)'), n=2.30864, w0=(411,'kJ/mol'), E0=(29.9984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36924741432064495, var=16.198740721883084, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing + Total Standard Deviation in ln(k): 8.996346743300027"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing +Total Standard Deviation in ln(k): 8.996346743300027""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing +Total Standard Deviation in ln(k): 8.996346743300027 +""", +) + +entry( + index = 3958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing", + kinetics = ArrheniusBM(A=(0.379481,'m^3/(mol*s)'), n=1.90447, w0=(411,'kJ/mol'), E0=(65.5508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31199752405832537, var=8.554944909286522, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing + Total Standard Deviation in ln(k): 6.647530413655894"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing +Total Standard Deviation in ln(k): 6.647530413655894""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing +Total Standard Deviation in ln(k): 6.647530413655894 +""", +) + +entry( + index = 3959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.76497e-06,'m^3/(mol*s)'), n=3.25682, w0=(411,'kJ/mol'), E0=(56.4767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15323712268226433, var=8.421099365736753, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.2025847845879145"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.2025847845879145""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.2025847845879145 +""", +) + +entry( + index = 3960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H", + kinetics = ArrheniusBM(A=(4.27282e-10,'m^3/(mol*s)'), n=4.49182, w0=(411,'kJ/mol'), E0=(41.7456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031902555612574685, var=3.1565505430069827, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H + Total Standard Deviation in ln(k): 3.6419066031214595"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 3.6419066031214595""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 3.6419066031214595 +""", +) + +entry( + index = 3961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.3894e-09,'m^3/(mol*s)'), n=4.26366, w0=(411,'kJ/mol'), E0=(33.6799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053435375585986905, var=7.105355971756138, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.47805621933818"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.47805621933818""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.47805621933818 +""", +) + +entry( + index = 3962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.18572e-10,'m^3/(mol*s)'), n=4.2036, w0=(411,'kJ/mol'), E0=(29.4223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09866120430623702, var=39.35811932885573, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 12.824808419681869"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 12.824808419681869""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 12.824808419681869 +""", +) + +entry( + index = 3963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S", + kinetics = ArrheniusBM(A=(1.23657e-09,'m^3/(mol*s)'), n=4.3861, w0=(411,'kJ/mol'), E0=(45.678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.049979734850005335, var=1.0031974324344972, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S + Total Standard Deviation in ln(k): 2.133514745257806"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S +Total Standard Deviation in ln(k): 2.133514745257806""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S +Total Standard Deviation in ln(k): 2.133514745257806 +""", +) + +entry( + index = 3964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.90714e-09,'m^3/(mol*s)'), n=4.21956, w0=(411,'kJ/mol'), E0=(42.1385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07715478569695507, var=5.305001797444909, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 4.81128025776809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.81128025776809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.81128025776809 +""", +) + +entry( + index = 3965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.50619e-08,'m^3/(mol*s)'), n=4.10345, w0=(411,'kJ/mol'), E0=(52.3801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0626663226950887, var=7.60450762432449, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S + Total Standard Deviation in ln(k): 5.685764995843589"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S +Total Standard Deviation in ln(k): 5.685764995843589""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S +Total Standard Deviation in ln(k): 5.685764995843589 +""", +) + +entry( + index = 3966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.35679e-09,'m^3/(mol*s)'), n=4.26268, w0=(411,'kJ/mol'), E0=(47.8495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.054783092322799584, var=30.45404053701155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 11.200812501543762"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 11.200812501543762""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 11.200812501543762 +""", +) + +entry( + index = 3967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H", + kinetics = ArrheniusBM(A=(0.00012437,'m^3/(mol*s)'), n=2.85167, w0=(411,'kJ/mol'), E0=(61.7804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22025659424806396, var=10.732219643696656, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H + Total Standard Deviation in ln(k): 7.120933995583748"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 7.120933995583748""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 7.120933995583748 +""", +) + +entry( + index = 3968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.49367, w0=(411,'kJ/mol'), E0=(65.7497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3166976685826254, var=13.81356963616006, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 8.246643637423839"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 8.246643637423839""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 8.246643637423839 +""", +) + +entry( + index = 3969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(2.18601e-09,'m^3/(mol*s)'), n=4.14514, w0=(411,'kJ/mol'), E0=(49.6264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1471272128817701, var=12.109418622543304, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 7.345861754955162"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 7.345861754955162""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 7.345861754955162 +""", +) + +entry( + index = 3970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S", + kinetics = ArrheniusBM(A=(5.59657e-09,'m^3/(mol*s)'), n=4.18371, w0=(411,'kJ/mol'), E0=(60.4846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08690602285379215, var=8.59268365979763, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S + Total Standard Deviation in ln(k): 6.094892843443033"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S +Total Standard Deviation in ln(k): 6.094892843443033""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S +Total Standard Deviation in ln(k): 6.094892843443033 +""", +) + +entry( + index = 3971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.25573e-08,'m^3/(mol*s)'), n=4.04585, w0=(411,'kJ/mol'), E0=(68.1563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S", + kinetics = ArrheniusBM(A=(1.31438e-09,'m^3/(mol*s)'), n=4.1501, w0=(411,'kJ/mol'), E0=(45.3645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16494757736884355, var=17.197549682358186, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S + Total Standard Deviation in ln(k): 8.728063177496658"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S +Total Standard Deviation in ln(k): 8.728063177496658""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S +Total Standard Deviation in ln(k): 8.728063177496658 +""", +) + +entry( + index = 3973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.44939e-10,'m^3/(mol*s)'), n=4.35683, w0=(411,'kJ/mol'), E0=(39.0152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17902824144998178, var=30.921738797832155, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R + Total Standard Deviation in ln(k): 11.597613914077696"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R +Total Standard Deviation in ln(k): 11.597613914077696""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R +Total Standard Deviation in ln(k): 11.597613914077696 +""", +) + +entry( + index = 3974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.80419e-10,'m^3/(mol*s)'), n=4.22815, w0=(411,'kJ/mol'), E0=(23.4564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18119320032201156, var=52.3336210932949, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R_Ext-1C-R + Total Standard Deviation in ln(k): 14.957909838756812"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R_Ext-1C-R +Total Standard Deviation in ln(k): 14.957909838756812""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-8C-R_Ext-1C-R +Total Standard Deviation in ln(k): 14.957909838756812 +""", +) + +entry( + index = 3975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.0307e-09,'m^3/(mol*s)'), n=3.97401, w0=(411,'kJ/mol'), E0=(46.1921,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2954627204216251, var=117.8990340373985, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 22.51004706348953"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 22.51004706348953""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_9R!H->C_N-8R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 22.51004706348953 +""", +) + +entry( + index = 3976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.08036,'m^3/(mol*s)'), n=1.73567, w0=(411,'kJ/mol'), E0=(75.0096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40324113235691816, var=21.86446768654481, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 10.387200931259462"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 10.387200931259462""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 10.387200931259462 +""", +) + +entry( + index = 3977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(289138,'m^3/(mol*s)'), n=0.27065, w0=(411,'kJ/mol'), E0=(84.5489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6111933818185181, var=48.5482630663782, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 15.503970891384185"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 15.503970891384185""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 15.503970891384185 +""", +) + +entry( + index = 3978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_8R!H->S", + kinetics = ArrheniusBM(A=(1.35689e-09,'m^3/(mol*s)'), n=4.27183, w0=(411,'kJ/mol'), E0=(71.4705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12203905041203353, var=31.82973827378384, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_8R!H->S + Total Standard Deviation in ln(k): 11.616915119635948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 11.616915119635948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 11.616915119635948 +""", +) + +entry( + index = 3979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(2.16559e-07,'m^3/(mol*s)'), n=3.84894, w0=(411,'kJ/mol'), E0=(17.5049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7742009919462998, var=116.94789547169445, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_N-8R!H->S + Total Standard Deviation in ln(k): 23.62492496114877"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 23.62492496114877""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 23.62492496114877 +""", +) + +entry( + index = 3980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(2.89e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(40.5848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4561858258069119e-28, var=5.846445383819224e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C + Total Standard Deviation in ln(k): 4.847333917080097e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C +Total Standard Deviation in ln(k): 4.847333917080097e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_8R!H->C +Total Standard Deviation in ln(k): 4.847333917080097e-14 +""", +) + +entry( + index = 3981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.10338e-08,'m^3/(mol*s)'), n=4.055, w0=(411,'kJ/mol'), E0=(73.8711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2536549202219733, var=83.5836682335619, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 18.96543477512499"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 18.96543477512499""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing_N-9R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 18.96543477512499 +""", +) + +entry( + index = 3982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.823e-10,'m^3/(mol*s)'), n=4.37018, w0=(411,'kJ/mol'), E0=(41.9474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.034444188270423885, var=14.305145566482562, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R + Total Standard Deviation in ln(k): 7.668881011222549"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 7.668881011222549""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 7.668881011222549 +""", +) + +entry( + index = 3983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S", + kinetics = ArrheniusBM(A=(5.05504e-10,'m^3/(mol*s)'), n=4.17217, w0=(411,'kJ/mol'), E0=(39.242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15403753021924627, var=42.69689429105399, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S + Total Standard Deviation in ln(k): 13.486541437103435"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 13.486541437103435""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_8R!H->S +Total Standard Deviation in ln(k): 13.486541437103435 +""", +) + +entry( + index = 3984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S", + kinetics = ArrheniusBM(A=(4.40675e-11,'m^3/(mol*s)'), n=4.61797, w0=(411,'kJ/mol'), E0=(44.2738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22441004624527108, var=45.91545679737039, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S + Total Standard Deviation in ln(k): 14.148118687595202"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 14.148118687595202""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-8R!H->S +Total Standard Deviation in ln(k): 14.148118687595202 +""", +) + +entry( + index = 3985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C", + kinetics = ArrheniusBM(A=(1.29507e-09,'m^3/(mol*s)'), n=4.40854, w0=(411,'kJ/mol'), E0=(49.9548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10611472673100714, var=5.091231617924253, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C + Total Standard Deviation in ln(k): 4.7900555714129895"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C +Total Standard Deviation in ln(k): 4.7900555714129895""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_8R!H->C +Total Standard Deviation in ln(k): 4.7900555714129895 +""", +) + +entry( + index = 3986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.42608e-10,'m^3/(mol*s)'), n=4.53781, w0=(411,'kJ/mol'), E0=(49.929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17295852061562128, var=39.428027548276106, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C + Total Standard Deviation in ln(k): 13.022649749774281"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 13.022649749774281""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 13.022649749774281 +""", +) + +entry( + index = 3987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0118503,'m^3/(mol*s)'), n=2.4605, w0=(411,'kJ/mol'), E0=(35.0086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6682563627317755, var=2.702118259161303, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.9744438885956646"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.9744438885956646""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.9744438885956646 +""", +) + +entry( + index = 3988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S", + kinetics = ArrheniusBM(A=(5.79541e-07,'m^3/(mol*s)'), n=3.61906, w0=(411,'kJ/mol'), E0=(4.31816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5078216761985389, var=13.206498966653095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S + Total Standard Deviation in ln(k): 8.561290896195167"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 8.561290896195167""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 8.561290896195167 +""", +) + +entry( + index = 3989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(2.79112e-06,'m^3/(mol*s)'), n=3.57646, w0=(411,'kJ/mol'), E0=(16.0632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7568052089005413, var=0.007683021040878213, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S + Total Standard Deviation in ln(k): 2.077241356144997"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 2.077241356144997""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 2.077241356144997 +""", +) + +entry( + index = 3990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->S", + kinetics = ArrheniusBM(A=(2.73909e-09,'m^3/(mol*s)'), n=4.31963, w0=(411,'kJ/mol'), E0=(41.1452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005530598686215382, var=7.074260692252575, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->S + Total Standard Deviation in ln(k): 5.345986567375102"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->S +Total Standard Deviation in ln(k): 5.345986567375102""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->S +Total Standard Deviation in ln(k): 5.345986567375102 +""", +) + +entry( + index = 3991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->S", + kinetics = ArrheniusBM(A=(4.64233e-08,'m^3/(mol*s)'), n=4.10266, w0=(411,'kJ/mol'), E0=(33.6297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26667869660439114, var=0.5277535392696878, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->S + Total Standard Deviation in ln(k): 2.1264198013359694"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->S +Total Standard Deviation in ln(k): 2.1264198013359694""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->S +Total Standard Deviation in ln(k): 2.1264198013359694 +""", +) + +entry( + index = 3992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(0.00381371,'m^3/(mol*s)'), n=2.68107, w0=(411,'kJ/mol'), E0=(75.8928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0024069403180596994, var=3.640740445276497, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 3.8312273441380182"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 3.8312273441380182""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 3.8312273441380182 +""", +) + +entry( + index = 3993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.48656e-08,'m^3/(mol*s)'), n=4.20856, w0=(411,'kJ/mol'), E0=(66.2241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15306068463343767, var=3.2814306619599773, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.0160959644858965"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.0160959644858965""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.0160959644858965 +""", +) + +entry( + index = 3994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(9.98239e-09,'m^3/(mol*s)'), n=4.25572, w0=(411,'kJ/mol'), E0=(66.9387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18927265721686937, var=4.886448913708881, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 4.907089206459184"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 4.907089206459184""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 4.907089206459184 +""", +) + +entry( + index = 3995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_7R!H-inRing", + kinetics = ArrheniusBM(A=(3.7766e-10,'m^3/(mol*s)'), n=4.66231, w0=(411,'kJ/mol'), E0=(62.0274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32902648683975055, var=2.8408133682092984, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_7R!H-inRing + Total Standard Deviation in ln(k): 4.205623072493846"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_7R!H-inRing +Total Standard Deviation in ln(k): 4.205623072493846""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_7R!H-inRing +Total Standard Deviation in ln(k): 4.205623072493846 +""", +) + +entry( + index = 3996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(3.89844e-08,'m^3/(mol*s)'), n=4.08664, w0=(411,'kJ/mol'), E0=(69.0782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1298680758271037, var=9.56948141469629, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing + Total Standard Deviation in ln(k): 6.527865142561912"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.527865142561912""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.527865142561912 +""", +) + +entry( + index = 3997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(5.01626e-10,'m^3/(mol*s)'), n=4.53596, w0=(411,'kJ/mol'), E0=(64.7483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17236477702872577, var=27.788869886752416, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_Sp-8C=7R!H + Total Standard Deviation in ln(k): 11.001068264042244"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.001068264042244""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.001068264042244 +""", +) + +entry( + index = 3998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(4.05749e-09,'m^3/(mol*s)'), n=4.4605, w0=(411,'kJ/mol'), E0=(66.1122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1578493683322499, var=28.445979785311593, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 11.0888154199422"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.0888154199422""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_8R!H->C_N-7R!H-inRing_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.0888154199422 +""", +) + +entry( + index = 3999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.60984e-09,'m^3/(mol*s)'), n=4.43221, w0=(411,'kJ/mol'), E0=(60.7376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08215432342504662, var=1.2577344418724632, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.4547034330317"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.4547034330317""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.4547034330317 +""", +) + +entry( + index = 4000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_7R!H->C", + kinetics = ArrheniusBM(A=(1.95173e-08,'m^3/(mol*s)'), n=4.34362, w0=(411,'kJ/mol'), E0=(46.3348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.042382911068486295, var=0.0004974306264616185, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_7R!H->C + Total Standard Deviation in ln(k): 0.15120163913114296"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 0.15120163913114296""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 0.15120163913114296 +""", +) + +entry( + index = 4001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.69244e-10,'m^3/(mol*s)'), n=4.57948, w0=(411,'kJ/mol'), E0=(53.5669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29220157715610967, var=4.251940215265994, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_N-7R!H->C + Total Standard Deviation in ln(k): 4.867985317907034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 4.867985317907034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 4.867985317907034 +""", +) + +entry( + index = 4002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(1.47977e+06,'m^3/(mol*s)'), n=0.496203, w0=(411,'kJ/mol'), E0=(84.8836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2539694331174476, var=4.4407234096060275, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 4.862697195687424"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.862697195687424""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.862697195687424 +""", +) + +entry( + index = 4003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.345e-08,'m^3/(mol*s)'), n=4.41996, w0=(411,'kJ/mol'), E0=(49.6893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13749891630384242, var=9.466237680916, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.513493506300124"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.513493506300124""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.513493506300124 +""", +) + +entry( + index = 4004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_7R!H->C", + kinetics = ArrheniusBM(A=(0.000609139,'m^3/(mol*s)'), n=3.24709, w0=(411,'kJ/mol'), E0=(-16.9609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0607656969010413, var=3.7042662888052784, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_7R!H->C + Total Standard Deviation in ln(k): 4.0110850944607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 4.0110850944607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 4.0110850944607 +""", +) + +entry( + index = 4005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.08923e-07,'m^3/(mol*s)'), n=4.29652, w0=(411,'kJ/mol'), E0=(59.7013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008729637128591221, var=11.387694474933816, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_N-7R!H->C + Total Standard Deviation in ln(k): 6.787044232381176"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 6.787044232381176""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 6.787044232381176 +""", +) + +entry( + index = 4006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.95728e-09,'m^3/(mol*s)'), n=3.98872, w0=(411,'kJ/mol'), E0=(25.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20925788817670748, var=0.13445046584330864, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 1.2608595774538465"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.2608595774538465""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.2608595774538465 +""", +) + +entry( + index = 4007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.85e-10,'m^3/(mol*s)'), n=4.37, w0=(411,'kJ/mol'), E0=(26.1183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30872157887383644, var=4.715862423527474e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 0.7756961259237111"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.7756961259237111""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.7756961259237111 +""", +) + +entry( + index = 4008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.21554e-12,'m^3/(mol*s)'), n=5.23272, w0=(411,'kJ/mol'), E0=(31.997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.27269e-08,'m^3/(mol*s)'), n=4.03642, w0=(411,'kJ/mol'), E0=(34.8287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051948685683626754, var=4.842909310341997, Tref=1000.0, N=113, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 113 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.5422668516778035"""), + rank = 11, + shortDesc = """BM rule fitted to 113 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.5422668516778035""", + longDesc = +""" +BM rule fitted to 113 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.5422668516778035 +""", +) + +entry( + index = 4010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(2.30651e-06,'m^3/(mol*s)'), n=3.50977, w0=(411,'kJ/mol'), E0=(56.7671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27392281628316717, var=14.181950617870363, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 8.237866218113762"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 8.237866218113762""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 8.237866218113762 +""", +) + +entry( + index = 4011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.33789e-10,'m^3/(mol*s)'), n=4.6573, w0=(411,'kJ/mol'), E0=(39.1432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2172025334895161, var=0.06270455017533869, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0477382459978424"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0477382459978424""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0477382459978424 +""", +) + +entry( + index = 4012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + kinetics = ArrheniusBM(A=(3.98944e-10,'m^3/(mol*s)'), n=4.56933, w0=(411,'kJ/mol'), E0=(36.399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06738780385952874, var=3.5396902795383904, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C + Total Standard Deviation in ln(k): 3.9410376215886083"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 3.9410376215886083""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 3.9410376215886083 +""", +) + +entry( + index = 4013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.46922e-13,'m^3/(mol*s)'), n=5.33401, w0=(411,'kJ/mol'), E0=(29.148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4123315559436242, var=3.1089373453526075, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.570793697786603"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.570793697786603""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.570793697786603 +""", +) + +entry( + index = 4014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(7.94526e-11,'m^3/(mol*s)'), n=4.74938, w0=(411,'kJ/mol'), E0=(35.9266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18801264768051168, var=1.892427265916794, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 3.230217847666781"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 3.230217847666781""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 3.230217847666781 +""", +) + +entry( + index = 4015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(2.12376e-24,'m^3/(mol*s)'), n=8.74473, w0=(411,'kJ/mol'), E0=(2.68601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4234094005028662, var=5.543288857444134, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 5.7838290837369515"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.7838290837369515""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.7838290837369515 +""", +) + +entry( + index = 4016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(7.19351e-10,'m^3/(mol*s)'), n=4.54371, w0=(411,'kJ/mol'), E0=(39.4888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19724038496857485, var=1.2405115117969507, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 2.7284177520825277"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.7284177520825277""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.7284177520825277 +""", +) + +entry( + index = 4017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(2.63462e-09,'m^3/(mol*s)'), n=4.40447, w0=(411,'kJ/mol'), E0=(40.6132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07148841342145652, var=0.3804785828406962, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 1.4161987846215327"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 1.4161987846215327""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 1.4161987846215327 +""", +) + +entry( + index = 4018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(1.97331e-10,'m^3/(mol*s)'), n=4.68236, w0=(411,'kJ/mol'), E0=(38.3689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32474180052472856, var=7.783452392934333, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 6.408912366488517"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 6.408912366488517""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 6.408912366488517 +""", +) + +entry( + index = 4019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.59304e-09,'m^3/(mol*s)'), n=4.4271, w0=(411,'kJ/mol'), E0=(63.1399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10358543650570753, var=35.2692359358299, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 12.165967111032446"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 12.165967111032446""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 12.165967111032446 +""", +) + +entry( + index = 4020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.60969e-11,'m^3/(mol*s)'), n=4.8965, w0=(411,'kJ/mol'), E0=(18.0243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6959791039247812, var=37.47662593906282, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 14.021309637209441"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 14.021309637209441""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 14.021309637209441 +""", +) + +entry( + index = 4021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.0359056,'m^3/(mol*s)'), n=2.31968, w0=(411,'kJ/mol'), E0=(90.4656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019226777967442894, var=27.151407086579233, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + Total Standard Deviation in ln(k): 10.494383978300837"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 10.494383978300837""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 10.494383978300837 +""", +) + +entry( + index = 4022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O", + kinetics = ArrheniusBM(A=(32.0805,'m^3/(mol*s)'), n=1.40286, w0=(411,'kJ/mol'), E0=(121.19,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13334421615451028, var=72.91203007566058, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O + Total Standard Deviation in ln(k): 17.45317614023278"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O +Total Standard Deviation in ln(k): 17.45317614023278""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O +Total Standard Deviation in ln(k): 17.45317614023278 +""", +) + +entry( + index = 4023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.220991,'m^3/(mol*s)'), n=2.22332, w0=(411,'kJ/mol'), E0=(163.337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_6OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O", + kinetics = ArrheniusBM(A=(0.0302757,'m^3/(mol*s)'), n=2.36229, w0=(411,'kJ/mol'), E0=(83.2268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08042937148299921, var=24.358673259735752, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O + Total Standard Deviation in ln(k): 10.096354917416901"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O +Total Standard Deviation in ln(k): 10.096354917416901""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O +Total Standard Deviation in ln(k): 10.096354917416901 +""", +) + +entry( + index = 4025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.5146,'m^3/(mol*s)'), n=1.85749, w0=(411,'kJ/mol'), E0=(88.4014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1380069831680298, var=31.437607612278402, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R + Total Standard Deviation in ln(k): 11.587150376426981"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 11.587150376426981""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 11.587150376426981 +""", +) + +entry( + index = 4026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(470185,'m^3/(mol*s)'), n=0.286359, w0=(411,'kJ/mol'), E0=(104.937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.296848402280998, var=68.82710988204742, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 17.377554603396096"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 17.377554603396096""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 17.377554603396096 +""", +) + +entry( + index = 4027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.42114e-09,'m^3/(mol*s)'), n=4.40489, w0=(411,'kJ/mol'), E0=(24.931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10602575252476078, var=91.53462917590166, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 19.44644493478766"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 19.44644493478766""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 19.44644493478766 +""", +) + +entry( + index = 4028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(9.65542e-10,'m^3/(mol*s)'), n=4.53608, w0=(411,'kJ/mol'), E0=(99.1007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14668052357954553, var=189.94947809242066, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 27.998235904645743"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 27.998235904645743""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 27.998235904645743 +""", +) + +entry( + index = 4029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.50432e-09,'m^3/(mol*s)'), n=4.39989, w0=(411,'kJ/mol'), E0=(58.3208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03964563088873515, var=74.24262105732723, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 17.373243112509392"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 17.373243112509392""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 17.373243112509392 +""", +) + +entry( + index = 4030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(8.787e-10,'m^3/(mol*s)'), n=4.53614, w0=(411,'kJ/mol'), E0=(68.1893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1409788512347769, var=123.72242092786792, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 22.65300290895011"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 22.65300290895011""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_N-6OS->O_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 22.65300290895011 +""", +) + +entry( + index = 4031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(2.91996e-08,'m^3/(mol*s)'), n=3.91847, w0=(411,'kJ/mol'), E0=(33.8144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01863949355332604, var=3.9726714683871256, Tref=1000.0, N=86, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C',), comment="""BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 4.042582962143629"""), + rank = 11, + shortDesc = """BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 4.042582962143629""", + longDesc = +""" +BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 4.042582962143629 +""", +) + +entry( + index = 4032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Sp-6R!H#1C", + kinetics = ArrheniusBM(A=(319457,'m^3/(mol*s)'), n=0.201358, w0=(411,'kJ/mol'), E0=(36.0622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Sp-6R!H#1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Sp-6R!H#1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Sp-6R!H#1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Sp-6R!H#1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C", + kinetics = ArrheniusBM(A=(1.81238e-09,'m^3/(mol*s)'), n=4.26427, w0=(411,'kJ/mol'), E0=(30.809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.048938690046777075, var=3.9267077403287876, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C + Total Standard Deviation in ln(k): 4.095528972369833"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C +Total Standard Deviation in ln(k): 4.095528972369833""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C +Total Standard Deviation in ln(k): 4.095528972369833 +""", +) + +entry( + index = 4034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S", + kinetics = ArrheniusBM(A=(1.9387e-08,'m^3/(mol*s)'), n=4.02986, w0=(411,'kJ/mol'), E0=(34.3365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026207020724455507, var=2.025109848298653, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S + Total Standard Deviation in ln(k): 2.9187121883746325"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S +Total Standard Deviation in ln(k): 2.9187121883746325""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S +Total Standard Deviation in ln(k): 2.9187121883746325 +""", +) + +entry( + index = 4035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.87483e-09,'m^3/(mol*s)'), n=4.23215, w0=(411,'kJ/mol'), E0=(31.1619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014491948224072767, var=2.121841679454586, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 2.956617852714416"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.956617852714416""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.956617852714416 +""", +) + +entry( + index = 4036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.48921e-10,'m^3/(mol*s)'), n=4.42544, w0=(411,'kJ/mol'), E0=(30.0312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017621991059668423, var=2.353919957745343, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.120039123516446"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.120039123516446""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.120039123516446 +""", +) + +entry( + index = 4037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.79707e-11,'m^3/(mol*s)'), n=4.97848, w0=(411,'kJ/mol'), E0=(19.1439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014346401021486014, var=2.319501924089678, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 3.0892399364407437"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 3.0892399364407437""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 3.0892399364407437 +""", +) + +entry( + index = 4038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.34845e-09,'m^3/(mol*s)'), n=4.38785, w0=(411,'kJ/mol'), E0=(14.9711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11411624316448843, var=3.7274439464937967, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.157183930579679"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.157183930579679""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.157183930579679 +""", +) + +entry( + index = 4039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.75069e-09,'m^3/(mol*s)'), n=4.39407, w0=(411,'kJ/mol'), E0=(17.3613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005597685700131299, var=3.6321479040477826, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 3.8347277068777434"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 3.8347277068777434""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 3.8347277068777434 +""", +) + +entry( + index = 4040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(3.47248e-09,'m^3/(mol*s)'), n=4.40806, w0=(411,'kJ/mol'), E0=(18.1768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(1.24307e-09,'m^3/(mol*s)'), n=4.38708, w0=(411,'kJ/mol'), E0=(16.9536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0032140371811025543, var=9.496063217080648, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 6.185803544300926"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 6.185803544300926""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 6.185803544300926 +""", +) + +entry( + index = 4042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.11525e-10,'m^3/(mol*s)'), n=4.37852, w0=(411,'kJ/mol'), E0=(28.5329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01579546600269717, var=15.357815374471826, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 7.896053156926943"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 7.896053156926943""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 7.896053156926943 +""", +) + +entry( + index = 4043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(7.6308e-13,'m^3/(mol*s)'), n=5.39721, w0=(411,'kJ/mol'), E0=(11.355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0761755690286433, var=4.915636940058378, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C + Total Standard Deviation in ln(k): 4.636141300744701"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 4.636141300744701""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 4.636141300744701 +""", +) + +entry( + index = 4044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(4.82136e-10,'m^3/(mol*s)'), n=4.58655, w0=(411,'kJ/mol'), E0=(32.7904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060218362093335004, var=11.740854737662575, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 7.020513261025704"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 7.020513261025704""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 7.020513261025704 +""", +) + +entry( + index = 4045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(1.57232e-10,'m^3/(mol*s)'), n=4.74247, w0=(411,'kJ/mol'), E0=(26.2675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12853171348951553, var=18.11378164286707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 8.855154346421713"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 8.855154346421713""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 8.855154346421713 +""", +) + +entry( + index = 4046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.67024e-09,'m^3/(mol*s)'), n=4.29235, w0=(411,'kJ/mol'), E0=(42.5961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03932991527885946, var=1.5547585262905264, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 2.598522179432107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 2.598522179432107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 2.598522179432107 +""", +) + +entry( + index = 4047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.69268e-10,'m^3/(mol*s)'), n=4.40951, w0=(411,'kJ/mol'), E0=(23.1841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0115463975851448, var=1.8538794225060542, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 2.758603016143999"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.758603016143999""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.758603016143999 +""", +) + +entry( + index = 4048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.55023e-09,'m^3/(mol*s)'), n=4.27172, w0=(411,'kJ/mol'), E0=(23.168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.052165503354544326, var=19.08633336299042, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 8.889337337319105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.889337337319105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.889337337319105 +""", +) + +entry( + index = 4049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S", + kinetics = ArrheniusBM(A=(1.61724e-10,'m^3/(mol*s)'), n=4.56104, w0=(411,'kJ/mol'), E0=(28.1292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07697207634757301, var=4.12112613468981, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S + Total Standard Deviation in ln(k): 4.263121042465197"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S +Total Standard Deviation in ln(k): 4.263121042465197""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S +Total Standard Deviation in ln(k): 4.263121042465197 +""", +) + +entry( + index = 4050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F", + kinetics = ArrheniusBM(A=(3.77956e-09,'m^3/(mol*s)'), n=4.54498, w0=(411,'kJ/mol'), E0=(28.2699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23878847931135608, var=0.9821105476412838, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F + Total Standard Deviation in ln(k): 2.5866934015945624"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F +Total Standard Deviation in ln(k): 2.5866934015945624""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F +Total Standard Deviation in ln(k): 2.5866934015945624 +""", +) + +entry( + index = 4051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.80315e-12,'m^3/(mol*s)'), n=5.43911, w0=(411,'kJ/mol'), E0=(19.4089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3040105247186992, var=0.03705901132631488, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 1.1497714201383062"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 1.1497714201383062""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 1.1497714201383062 +""", +) + +entry( + index = 4052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(7.06201e-13,'m^3/(mol*s)'), n=5.55511, w0=(411,'kJ/mol'), E0=(19.7959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(2.83532e-12,'m^3/(mol*s)'), n=5.38311, w0=(411,'kJ/mol'), E0=(19.1976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2812008366684447, var=0.0031836182242857914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 0.8196490572200973"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 0.8196490572200973""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 0.8196490572200973 +""", +) + +entry( + index = 4054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.80997e-13,'m^3/(mol*s)'), n=5.80104, w0=(411,'kJ/mol'), E0=(21.1084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(2.3871e-11,'m^3/(mol*s)'), n=5.04243, w0=(411,'kJ/mol'), E0=(16.5445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.26081e-11,'m^3/(mol*s)'), n=5.30889, w0=(411,'kJ/mol'), E0=(24.4947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_6CClFO->F_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F", + kinetics = ArrheniusBM(A=(4.14419e-10,'m^3/(mol*s)'), n=4.3769, w0=(411,'kJ/mol'), E0=(29.7713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04411932217797399, var=2.465022716396771, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F + Total Standard Deviation in ln(k): 3.258364987184734"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F +Total Standard Deviation in ln(k): 3.258364987184734""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F +Total Standard Deviation in ln(k): 3.258364987184734 +""", +) + +entry( + index = 4058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O", + kinetics = ArrheniusBM(A=(1.32215e-12,'m^3/(mol*s)'), n=5.03443, w0=(411,'kJ/mol'), E0=(25.5425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18042419209200558, var=0.0003166544297916116, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O + Total Standard Deviation in ln(k): 0.4890009486812238"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O +Total Standard Deviation in ln(k): 0.4890009486812238""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O +Total Standard Deviation in ln(k): 0.4890009486812238 +""", +) + +entry( + index = 4059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.06e-12,'m^3/(mol*s)'), n=5.06, w0=(411,'kJ/mol'), E0=(25.1256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16888642194652267, var=4.65266101047289e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O_Ext-1C-R + Total Standard Deviation in ln(k): 0.4243514179658222"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.4243514179658222""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_6CClO->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.4243514179658222 +""", +) + +entry( + index = 4060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O", + kinetics = ArrheniusBM(A=(3.15999e-10,'m^3/(mol*s)'), n=4.42294, w0=(411,'kJ/mol'), E0=(29.0341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03404182581180695, var=2.961733746435222, Tref=1000.0, N=57, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O',), comment="""BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O + Total Standard Deviation in ln(k): 3.5356188252505425"""), + rank = 11, + shortDesc = """BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O +Total Standard Deviation in ln(k): 3.5356188252505425""", + longDesc = +""" +BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O +Total Standard Deviation in ln(k): 3.5356188252505425 +""", +) + +entry( + index = 4061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing", + kinetics = ArrheniusBM(A=(4.86813e-11,'m^3/(mol*s)'), n=4.65208, w0=(411,'kJ/mol'), E0=(27.0114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05915866407129055, var=2.905080174512258, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing + Total Standard Deviation in ln(k): 3.5655696144719404"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing +Total Standard Deviation in ln(k): 3.5655696144719404""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing +Total Standard Deviation in ln(k): 3.5655696144719404 +""", +) + +entry( + index = 4062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.5595e-09,'m^3/(mol*s)'), n=4.04373, w0=(411,'kJ/mol'), E0=(29.9725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04139297400619676, var=2.597434836457146, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.3349456226593825"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.3349456226593825""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.3349456226593825 +""", +) + +entry( + index = 4063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.41835e-10,'m^3/(mol*s)'), n=4.23979, w0=(411,'kJ/mol'), E0=(27.0055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0902013077655105, var=3.8558303344630978, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.163188040241939"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.163188040241939""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.163188040241939 +""", +) + +entry( + index = 4064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C", + kinetics = ArrheniusBM(A=(1.4638e-11,'m^3/(mol*s)'), n=4.65839, w0=(411,'kJ/mol'), E0=(25.0281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0167545411961048, var=0.9719484042306744, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C + Total Standard Deviation in ln(k): 2.0185139016151052"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C +Total Standard Deviation in ln(k): 2.0185139016151052""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C +Total Standard Deviation in ln(k): 2.0185139016151052 +""", +) + +entry( + index = 4065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.76175e-11,'m^3/(mol*s)'), n=4.63168, w0=(411,'kJ/mol'), E0=(25.3334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006293484453990912, var=0.913239172863197, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R + Total Standard Deviation in ln(k): 1.9316087453057451"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.9316087453057451""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.9316087453057451 +""", +) + +entry( + index = 4066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_9R!H->O", + kinetics = ArrheniusBM(A=(1.40297e-12,'m^3/(mol*s)'), n=4.93716, w0=(411,'kJ/mol'), E0=(22.1688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02315999404905347, var=0.1497982533942967, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_9R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_9R!H->O + Total Standard Deviation in ln(k): 0.8340991802025468"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_9R!H->O +Total Standard Deviation in ln(k): 0.8340991802025468""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_9R!H->O +Total Standard Deviation in ln(k): 0.8340991802025468 +""", +) + +entry( + index = 4067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O", + kinetics = ArrheniusBM(A=(4.01925e-11,'m^3/(mol*s)'), n=4.60304, w0=(411,'kJ/mol'), E0=(31.3716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08036427212158805, var=8.793832584875977, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O + Total Standard Deviation in ln(k): 6.146841258241666"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O +Total Standard Deviation in ln(k): 6.146841258241666""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O +Total Standard Deviation in ln(k): 6.146841258241666 +""", +) + +entry( + index = 4068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C", + kinetics = ArrheniusBM(A=(1.9088e-14,'m^3/(mol*s)'), n=5.53255, w0=(411,'kJ/mol'), E0=(25.4802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11263890581019309, var=18.670838947857995, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C + Total Standard Deviation in ln(k): 8.945425724237229"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C +Total Standard Deviation in ln(k): 8.945425724237229""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C +Total Standard Deviation in ln(k): 8.945425724237229 +""", +) + +entry( + index = 4069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(3.41649e-07,'m^3/(mol*s)'), n=3.35493, w0=(411,'kJ/mol'), E0=(44.569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06876888532251843, var=14.412932283424023, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C + Total Standard Deviation in ln(k): 7.783636141549579"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 7.783636141549579""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 7.783636141549579 +""", +) + +entry( + index = 4070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.9262e-11,'m^3/(mol*s)'), n=4.46549, w0=(411,'kJ/mol'), E0=(33.7666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04696817792038878, var=43.89181243072021, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C_Ext-7R!H-R + Total Standard Deviation in ln(k): 13.399560042979502"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 13.399560042979502""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_9BrCClFINPSSi->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 13.399560042979502 +""", +) + +entry( + index = 4071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_N-9BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(9.65824e-09,'m^3/(mol*s)'), n=4.09742, w0=(411,'kJ/mol'), E0=(47.7981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07517547635398665, var=90.35704899297127, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_N-9BrCClFINPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_N-9BrCClFINPSSi->C + Total Standard Deviation in ln(k): 19.24515798751142"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_N-9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 19.24515798751142""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_N-9BrCClFINPSSi->C +Total Standard Deviation in ln(k): 19.24515798751142 +""", +) + +entry( + index = 4072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C", + kinetics = ArrheniusBM(A=(7.73852e-12,'m^3/(mol*s)'), n=4.85409, w0=(411,'kJ/mol'), E0=(10.2285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.042724131768945836, var=5.287787688214738, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C + Total Standard Deviation in ln(k): 4.717273489963099"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C +Total Standard Deviation in ln(k): 4.717273489963099""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C +Total Standard Deviation in ln(k): 4.717273489963099 +""", +) + +entry( + index = 4073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.67945e-10,'m^3/(mol*s)'), n=4.44095, w0=(411,'kJ/mol'), E0=(24.2793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01920951624543648, var=31.550289583609555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.308790768849352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.308790768849352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_6CCl->C_Ext-6C-R_N-9R!H->O_N-Sp-9BrBrCCClClFFIINNPPSSSiSi=6C_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.308790768849352 +""", +) + +entry( + index = 4074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6CCl->C", + kinetics = ArrheniusBM(A=(2.57753e-08,'m^3/(mol*s)'), n=4.03231, w0=(411,'kJ/mol'), E0=(11.8651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R", + kinetics = ArrheniusBM(A=(7.92742e-07,'m^3/(mol*s)'), n=3.4452, w0=(411,'kJ/mol'), E0=(40.6139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1690339665202749, var=0.8917627132730936, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R + Total Standard Deviation in ln(k): 2.3178437176612308"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R +Total Standard Deviation in ln(k): 2.3178437176612308""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R +Total Standard Deviation in ln(k): 2.3178437176612308 +""", +) + +entry( + index = 4076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.50265e-12,'m^3/(mol*s)'), n=5.05328, w0=(411,'kJ/mol'), E0=(11.5341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027299193633994932, var=1.1222505579390802, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.1923336648826517"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1923336648826517""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1923336648826517 +""", +) + +entry( + index = 4077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl", + kinetics = ArrheniusBM(A=(1.07303e-09,'m^3/(mol*s)'), n=4.32231, w0=(411,'kJ/mol'), E0=(32.2409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02274764845859001, var=4.562157584486565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl + Total Standard Deviation in ln(k): 4.3391102086652005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 4.3391102086652005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 4.3391102086652005 +""", +) + +entry( + index = 4078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl", + kinetics = ArrheniusBM(A=(5.6637e-11,'m^3/(mol*s)'), n=4.83801, w0=(411,'kJ/mol'), E0=(27.5065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09342421327220435, var=0.6976920648325089, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl + Total Standard Deviation in ln(k): 1.9092485833429722"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 1.9092485833429722""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 1.9092485833429722 +""", +) + +entry( + index = 4079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.75102e-12,'m^3/(mol*s)'), n=5.09583, w0=(411,'kJ/mol'), E0=(29.5544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14174198496805418, var=0.7610847240436267, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C + Total Standard Deviation in ln(k): 2.1050699277565457"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C +Total Standard Deviation in ln(k): 2.1050699277565457""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C +Total Standard Deviation in ln(k): 2.1050699277565457 +""", +) + +entry( + index = 4080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing", + kinetics = ArrheniusBM(A=(1.46684e-13,'m^3/(mol*s)'), n=5.45858, w0=(411,'kJ/mol'), E0=(23.3674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2208209803952562, var=0.44091268596834987, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing + Total Standard Deviation in ln(k): 1.8859958640244656"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing +Total Standard Deviation in ln(k): 1.8859958640244656""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing +Total Standard Deviation in ln(k): 1.8859958640244656 +""", +) + +entry( + index = 4081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(1.41278e-16,'m^3/(mol*s)'), n=6.34708, w0=(411,'kJ/mol'), E0=(7.84742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17860357059727816, var=0.17043749617033838, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C + Total Standard Deviation in ln(k): 1.2763890503054791"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.2763890503054791""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.2763890503054791 +""", +) + +entry( + index = 4082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_Sp-8C=6CCl", + kinetics = ArrheniusBM(A=(1.49623e-10,'m^3/(mol*s)'), n=4.6051, w0=(411,'kJ/mol'), E0=(37.7136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1094549150069023, var=0.2243328508113026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_Sp-8C=6CCl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_Sp-8C=6CCl + Total Standard Deviation in ln(k): 1.2245308412610563"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_Sp-8C=6CCl +Total Standard Deviation in ln(k): 1.2245308412610563""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_Sp-8C=6CCl +Total Standard Deviation in ln(k): 1.2245308412610563 +""", +) + +entry( + index = 4083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_N-Sp-8C=6CCl", + kinetics = ArrheniusBM(A=(5.56898e-10,'m^3/(mol*s)'), n=4.47308, w0=(411,'kJ/mol'), E0=(33.0159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07310023124304037, var=0.5145133825981143, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_N-Sp-8C=6CCl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_N-Sp-8C=6CCl + Total Standard Deviation in ln(k): 1.6216571386058298"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_N-Sp-8C=6CCl +Total Standard Deviation in ln(k): 1.6216571386058298""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_8R!H->C_N-Sp-8C=6CCl +Total Standard Deviation in ln(k): 1.6216571386058298 +""", +) + +entry( + index = 4084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.18195e-10,'m^3/(mol*s)'), n=4.57734, w0=(411,'kJ/mol'), E0=(31.6634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055008046452780415, var=0.5231015097610969, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 1.588150988679541"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 1.588150988679541""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_7R!H->C_N-6CCl-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 1.588150988679541 +""", +) + +entry( + index = 4085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.6498e-11,'m^3/(mol*s)'), n=4.62874, w0=(411,'kJ/mol'), E0=(26.4208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_Ext-6CCl-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl", + kinetics = ArrheniusBM(A=(8.49123e-11,'m^3/(mol*s)'), n=4.61385, w0=(411,'kJ/mol'), E0=(26.2742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21585855840830132, var=0.005646851277181188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl + Total Standard Deviation in ln(k): 0.6930050748353079"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl +Total Standard Deviation in ln(k): 0.6930050748353079""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl +Total Standard Deviation in ln(k): 0.6930050748353079 +""", +) + +entry( + index = 4087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_7R!H->C", + kinetics = ArrheniusBM(A=(6.4722e-11,'m^3/(mol*s)'), n=4.71236, w0=(411,'kJ/mol'), E0=(30.0363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_N-7R!H->C", + kinetics = ArrheniusBM(A=(8.4678e-11,'m^3/(mol*s)'), n=4.54947, w0=(411,'kJ/mol'), E0=(22.1535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_6CCl->Cl_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_N-6CCl->Cl", + kinetics = ArrheniusBM(A=(8.65e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(31.38,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7763568394000491e-15, var=7.987216665362717e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_N-6CCl->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_N-6CCl->Cl + Total Standard Deviation in ln(k): 6.112035781935255e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_N-6CCl->Cl +Total Standard Deviation in ln(k): 6.112035781935255e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_Ext-1C-R_N-6CCl->Cl +Total Standard Deviation in ln(k): 6.112035781935255e-14 +""", +) + +entry( + index = 4090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C", + kinetics = ArrheniusBM(A=(2.48144e-21,'m^3/(mol*s)'), n=7.81576, w0=(411,'kJ/mol'), E0=(2.01235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7145153375125479, var=2.979386412052623, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C + Total Standard Deviation in ln(k): 5.255617676551149"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C +Total Standard Deviation in ln(k): 5.255617676551149""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C +Total Standard Deviation in ln(k): 5.255617676551149 +""", +) + +entry( + index = 4091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.83561e-21,'m^3/(mol*s)'), n=7.80272, w0=(411,'kJ/mol'), E0=(0.357458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7107355210999768, var=3.3506108946597872, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R + Total Standard Deviation in ln(k): 5.455369841488231"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.455369841488231""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.455369841488231 +""", +) + +entry( + index = 4092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(3.19023e-14,'m^3/(mol*s)'), n=5.72241, w0=(411,'kJ/mol'), E0=(31.5939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3644309724665846, var=2.522892432454598, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 4.09989983653422"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.09989983653422""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.09989983653422 +""", +) + +entry( + index = 4093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(2.62586e-11,'m^3/(mol*s)'), n=4.89966, w0=(411,'kJ/mol'), E0=(41.1125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3439672460165749, var=22.261768002885614, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_6C-inRing + Total Standard Deviation in ln(k): 10.323056146669343"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_6C-inRing +Total Standard Deviation in ln(k): 10.323056146669343""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_6C-inRing +Total Standard Deviation in ln(k): 10.323056146669343 +""", +) + +entry( + index = 4094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(1.34784e-20,'m^3/(mol*s)'), n=7.54242, w0=(411,'kJ/mol'), E0=(1.686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1449042380583631, var=1.0089608101539795, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 2.3777780708548204"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.3777780708548204""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.3777780708548204 +""", +) + +entry( + index = 4095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_Sp-7C=6C", + kinetics = ArrheniusBM(A=(3.47126e-11,'m^3/(mol*s)'), n=4.77331, w0=(411,'kJ/mol'), E0=(40.2276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22394192358218337, var=1.9641820069254525, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_Sp-7C=6C + Total Standard Deviation in ln(k): 3.372289882574754"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_Sp-7C=6C +Total Standard Deviation in ln(k): 3.372289882574754""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_Sp-7C=6C +Total Standard Deviation in ln(k): 3.372289882574754 +""", +) + +entry( + index = 4096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(2.05046e-10,'m^3/(mol*s)'), n=4.69785, w0=(411,'kJ/mol'), E0=(39.1034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23899449302828, var=0.6676173099554886, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_N-Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_N-Sp-7C=6C + Total Standard Deviation in ln(k): 2.2385146485683425"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_N-Sp-7C=6C +Total Standard Deviation in ln(k): 2.2385146485683425""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_7R!H->C_N-6C-inRing_N-Sp-7C=6C +Total Standard Deviation in ln(k): 2.2385146485683425 +""", +) + +entry( + index = 4097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.49554e-21,'m^3/(mol*s)'), n=7.83221, w0=(411,'kJ/mol'), E0=(1.55702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7668175902247845, var=5.818851407212614, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.762558558195903"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.762558558195903""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.762558558195903 +""", +) + +entry( + index = 4098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.3373e-11,'m^3/(mol*s)'), n=4.87327, w0=(411,'kJ/mol'), E0=(26.2498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S", + kinetics = ArrheniusBM(A=(8.94762e-11,'m^3/(mol*s)'), n=4.66955, w0=(411,'kJ/mol'), E0=(48.9983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19511962449751036, var=6.910921973012432, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S + Total Standard Deviation in ln(k): 5.760424678345323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 5.760424678345323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 5.760424678345323 +""", +) + +entry( + index = 4100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S", + kinetics = ArrheniusBM(A=(1.2278e-11,'m^3/(mol*s)'), n=5.24939, w0=(411,'kJ/mol'), E0=(32.0905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_6CCl->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_N-6CCl->C", + kinetics = ArrheniusBM(A=(1.61266e-12,'m^3/(mol*s)'), n=5.51267, w0=(411,'kJ/mol'), E0=(30.853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_N-6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_N-6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-1C-inRing_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R", + kinetics = ArrheniusBM(A=(2.28473e-06,'m^3/(mol*s)'), n=3.31545, w0=(411,'kJ/mol'), E0=(37.7078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15815037673974267, var=4.477529003632915, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R + Total Standard Deviation in ln(k): 4.63941676170613"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R +Total Standard Deviation in ln(k): 4.63941676170613""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R +Total Standard Deviation in ln(k): 4.63941676170613 +""", +) + +entry( + index = 4103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.27e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(38.3968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.21e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(13.5667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.82e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(32.4361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-6CCl-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.81e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(28.4687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Sp-6CCl-1C", + kinetics = ArrheniusBM(A=(2.63e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(35.3148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Sp-6CCl-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Sp-6CCl-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Sp-6CCl-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_Sp-6CCl-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-Sp-6CCl-1C", + kinetics = ArrheniusBM(A=(5.06073e-09,'m^3/(mol*s)'), n=4.41775, w0=(411,'kJ/mol'), E0=(24.6312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08595509888401633, var=45.327428560117184, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-Sp-6CCl-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-Sp-6CCl-1C + Total Standard Deviation in ln(k): 13.712976366864893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-Sp-6CCl-1C +Total Standard Deviation in ln(k): 13.712976366864893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-Sp-6R!H#1C_N-6R!H->S_N-6CClFO->F_N-6CClO->O_N-Sp-6CCl-1C +Total Standard Deviation in ln(k): 13.712976366864893 +""", +) + +entry( + index = 4109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0597809,'m^3/(mol*s)'), n=2.16354, w0=(411,'kJ/mol'), E0=(57.1023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18143354409411722, var=13.096236476724396, Tref=1000.0, N=457, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 457 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 7.710743348125698"""), + rank = 11, + shortDesc = """BM rule fitted to 457 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 7.710743348125698""", + longDesc = +""" +BM rule fitted to 457 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 7.710743348125698 +""", +) + +entry( + index = 4110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(1.29206e+06,'m^3/(mol*s)'), n=0.269129, w0=(411,'kJ/mol'), E0=(57.7057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(0.0159733,'m^3/(mol*s)'), n=2.3205, w0=(411,'kJ/mol'), E0=(56.27,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1881679472989236, var=12.915375709547765, Tref=1000.0, N=456, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N',), comment="""BM rule fitted to 456 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N + Total Standard Deviation in ln(k): 7.677394368437606"""), + rank = 11, + shortDesc = """BM rule fitted to 456 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 7.677394368437606""", + longDesc = +""" +BM rule fitted to 456 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 7.677394368437606 +""", +) + +entry( + index = 4112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.14821e-08,'m^3/(mol*s)'), n=4.39155, w0=(411,'kJ/mol'), E0=(35.9894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O", + kinetics = ArrheniusBM(A=(2.08613e-05,'m^3/(mol*s)'), n=3.10669, w0=(411,'kJ/mol'), E0=(40.8665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12800710363219353, var=2.4772240770627594, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O + Total Standard Deviation in ln(k): 3.4769184646399105"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O +Total Standard Deviation in ln(k): 3.4769184646399105""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O +Total Standard Deviation in ln(k): 3.4769184646399105 +""", +) + +entry( + index = 4114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.24634e-05,'m^3/(mol*s)'), n=3.01731, w0=(411,'kJ/mol'), E0=(40.0527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1644528680339626, var=2.7598295854712434, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R + Total Standard Deviation in ln(k): 3.7436113854960693"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 3.7436113854960693""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 3.7436113854960693 +""", +) + +entry( + index = 4115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.20027e-11,'m^3/(mol*s)'), n=4.5936, w0=(411,'kJ/mol'), E0=(25.4977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04655318537148574, var=3.7014223304488367, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.973893831812224"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.973893831812224""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.973893831812224 +""", +) + +entry( + index = 4116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_7R!H->O", + kinetics = ArrheniusBM(A=(3.67136e-11,'m^3/(mol*s)'), n=4.29174, w0=(411,'kJ/mol'), E0=(20.7205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.048769598721447, var=1.1646133196916203e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_7R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_7R!H->O + Total Standard Deviation in ln(k): 0.12254352165004888"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_7R!H->O +Total Standard Deviation in ln(k): 0.12254352165004888""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_7R!H->O +Total Standard Deviation in ln(k): 0.12254352165004888 +""", +) + +entry( + index = 4117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(5.67061e-17,'m^3/(mol*s)'), n=6.42626, w0=(411,'kJ/mol'), E0=(3.15692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10270254204445868, var=2.211400925445443, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O + Total Standard Deviation in ln(k): 3.239243981991406"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O +Total Standard Deviation in ln(k): 3.239243981991406""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O +Total Standard Deviation in ln(k): 3.239243981991406 +""", +) + +entry( + index = 4118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.82951e-13,'m^3/(mol*s)'), n=5.47257, w0=(411,'kJ/mol'), E0=(0.760334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10305280312922427, var=3.514722616857526, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 4.01732246974515"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 4.01732246974515""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 4.01732246974515 +""", +) + +entry( + index = 4119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->Cl", + kinetics = ArrheniusBM(A=(3.7151e-10,'m^3/(mol*s)'), n=4.62155, w0=(411,'kJ/mol'), E0=(16.1775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl", + kinetics = ArrheniusBM(A=(7.8134e-14,'m^3/(mol*s)'), n=5.5301, w0=(411,'kJ/mol'), E0=(4.39451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03565346625831085, var=6.0497668300190695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl + Total Standard Deviation in ln(k): 5.0204828520090174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl +Total Standard Deviation in ln(k): 5.0204828520090174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl +Total Standard Deviation in ln(k): 5.0204828520090174 +""", +) + +entry( + index = 4121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_7BrCF->Br", + kinetics = ArrheniusBM(A=(5.09209e-11,'m^3/(mol*s)'), n=4.81199, w0=(411,'kJ/mol'), E0=(15.0031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_7BrCF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_7BrCF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_7BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_7BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_N-7BrCF->Br", + kinetics = ArrheniusBM(A=(3.40927e-10,'m^3/(mol*s)'), n=4.39908, w0=(411,'kJ/mol'), E0=(20.967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_N-7BrCF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_N-7BrCF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_N-7BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->Cl_N-7BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.91e-12,'m^3/(mol*s)'), n=5.07, w0=(411,'kJ/mol'), E0=(27.3508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02226535319049052, var=4.64029749489444e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.05595675466961137"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.05595675466961137""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Ext-6R!H-R_N-7R!H->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.05595675466961137 +""", +) + +entry( + index = 4124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(8.32858e-07,'m^3/(mol*s)'), n=3.58316, w0=(411,'kJ/mol'), E0=(28.7194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.047482381853695736, var=0.11857455720603127, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 0.809626105707225"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 0.809626105707225""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 0.809626105707225 +""", +) + +entry( + index = 4125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.13056e-08,'m^3/(mol*s)'), n=4.02665, w0=(411,'kJ/mol'), E0=(23.4902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.043198909802733665, var=7.906992318049875e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 0.10853997437878415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.10853997437878415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.10853997437878415 +""", +) + +entry( + index = 4126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(7.13869e-07,'m^3/(mol*s)'), n=3.5678, w0=(411,'kJ/mol'), E0=(38.6816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25238413258048703, var=2.6502171755896695, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 3.897736976161494"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.897736976161494""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.897736976161494 +""", +) + +entry( + index = 4127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000226003,'m^3/(mol*s)'), n=2.7534, w0=(411,'kJ/mol'), E0=(42.4138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6033892207348676, var=6.848511263929867, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 6.762376938773338"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.762376938773338""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.762376938773338 +""", +) + +entry( + index = 4128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.60042e-09,'m^3/(mol*s)'), n=4.57859, w0=(411,'kJ/mol'), E0=(27.067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O", + kinetics = ArrheniusBM(A=(4.74988,'m^3/(mol*s)'), n=1.632, w0=(411,'kJ/mol'), E0=(69.5844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2794411214971565, var=20.98857600725044, Tref=1000.0, N=436, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O',), comment="""BM rule fitted to 436 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O + Total Standard Deviation in ln(k): 9.88646444947615"""), + rank = 11, + shortDesc = """BM rule fitted to 436 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O +Total Standard Deviation in ln(k): 9.88646444947615""", + longDesc = +""" +BM rule fitted to 436 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O +Total Standard Deviation in ln(k): 9.88646444947615 +""", +) + +entry( + index = 4130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.679573,'m^3/(mol*s)'), n=1.92475, w0=(411,'kJ/mol'), E0=(68.0602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22279855002779603, var=8.384814516295764, Tref=1000.0, N=348, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R',), comment="""BM rule fitted to 348 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R + Total Standard Deviation in ln(k): 6.364815338309045"""), + rank = 11, + shortDesc = """BM rule fitted to 348 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R +Total Standard Deviation in ln(k): 6.364815338309045""", + longDesc = +""" +BM rule fitted to 348 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R +Total Standard Deviation in ln(k): 6.364815338309045 +""", +) + +entry( + index = 4131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.331062,'m^3/(mol*s)'), n=1.95146, w0=(411,'kJ/mol'), E0=(63.3104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32277221845346743, var=7.546757871582403, Tref=1000.0, N=261, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C',), comment="""BM rule fitted to 261 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C + Total Standard Deviation in ln(k): 6.318265984085075"""), + rank = 11, + shortDesc = """BM rule fitted to 261 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 6.318265984085075""", + longDesc = +""" +BM rule fitted to 261 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 6.318265984085075 +""", +) + +entry( + index = 4132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(0.0352381,'m^3/(mol*s)'), n=2.19799, w0=(411,'kJ/mol'), E0=(59.1409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3569521949464411, var=7.814679901266859, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing + Total Standard Deviation in ln(k): 6.501051395955201"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing +Total Standard Deviation in ln(k): 6.501051395955201""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing +Total Standard Deviation in ln(k): 6.501051395955201 +""", +) + +entry( + index = 4133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0259243,'m^3/(mol*s)'), n=2.22947, w0=(411,'kJ/mol'), E0=(58.6142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3585044415455772, var=7.965220914698145, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.558673198940478"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.558673198940478""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.558673198940478 +""", +) + +entry( + index = 4134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(97.052,'m^3/(mol*s)'), n=1.4365, w0=(411,'kJ/mol'), E0=(89.9368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4089282327294674, var=17.370345372908808, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 9.38274186816209"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 9.38274186816209""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 9.38274186816209 +""", +) + +entry( + index = 4135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.21432e-08,'m^3/(mol*s)'), n=4.22215, w0=(411,'kJ/mol'), E0=(41.7658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.049185605565891743, var=1.5746738337089294, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.639243953778905"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.639243953778905""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.639243953778905 +""", +) + +entry( + index = 4136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(0.000150289,'m^3/(mol*s)'), n=3.10143, w0=(411,'kJ/mol'), E0=(59.8379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23462857061326947, var=7.639200471569532, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 6.130427068732512"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 6.130427068732512""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 6.130427068732512 +""", +) + +entry( + index = 4137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.86123e-10,'m^3/(mol*s)'), n=4.62638, w0=(411,'kJ/mol'), E0=(45.768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10719458160342925, var=8.560042074249601, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.134696711764902"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.134696711764902""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.134696711764902 +""", +) + +entry( + index = 4138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.3607e-09,'m^3/(mol*s)'), n=4.59312, w0=(411,'kJ/mol'), E0=(54.2145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13092584226863718, var=5.447568014912501, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 5.008016233285065"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.008016233285065""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 5.008016233285065 +""", +) + +entry( + index = 4139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.3752e-20,'m^3/(mol*s)'), n=7.75939, w0=(411,'kJ/mol'), E0=(15.5063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16449206254923457, var=5.215164117292005, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 4.991456774496022"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 4.991456774496022""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 4.991456774496022 +""", +) + +entry( + index = 4140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(5.53745e-08,'m^3/(mol*s)'), n=4.11, w0=(411,'kJ/mol'), E0=(56.9574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17846152990234618, var=1.3235308975933124, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 2.7547395227677143"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.7547395227677143""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.7547395227677143 +""", +) + +entry( + index = 4141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(2.05427e-07,'m^3/(mol*s)'), n=3.96931, w0=(411,'kJ/mol'), E0=(56.1479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33029665709117584, var=0.8118129069196571, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 2.6361706494172834"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 2.6361706494172834""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 2.6361706494172834 +""", +) + +entry( + index = 4142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.5349e-08,'m^3/(mol*s)'), n=4.24721, w0=(411,'kJ/mol'), E0=(57.7977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028863315395642086, var=6.551652883175673, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 5.203880241204754"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 5.203880241204754""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 5.203880241204754 +""", +) + +entry( + index = 4143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.5663e-07,'m^3/(mol*s)'), n=3.99195, w0=(411,'kJ/mol'), E0=(81.499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3145419050542052, var=38.72388032489578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 13.265474902482964"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 13.265474902482964""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 13.265474902482964 +""", +) + +entry( + index = 4144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(6.92511e-06,'m^3/(mol*s)'), n=3.17342, w0=(411,'kJ/mol'), E0=(16.0471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008168679162846419, var=128.0756251130466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 22.708211817776434"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 22.708211817776434""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 22.708211817776434 +""", +) + +entry( + index = 4145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.22954e-07,'m^3/(mol*s)'), n=3.86059, w0=(411,'kJ/mol'), E0=(89.3358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22662803719109834, var=25.277194944471756, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 10.64850961888307"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 10.64850961888307""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 10.64850961888307 +""", +) + +entry( + index = 4146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.79851e-08,'m^3/(mol*s)'), n=4.02826, w0=(411,'kJ/mol'), E0=(88.5569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21776266294444427, var=32.75081383809483, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 12.019905776947043"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.019905776947043""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.019905776947043 +""", +) + +entry( + index = 4147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.30484e-08,'m^3/(mol*s)'), n=4.12871, w0=(411,'kJ/mol'), E0=(93.4292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19514716973785035, var=61.841466066990456, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 16.25542489187966"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 16.25542489187966""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 16.25542489187966 +""", +) + +entry( + index = 4148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.10558e-07,'m^3/(mol*s)'), n=3.96973, w0=(411,'kJ/mol'), E0=(64.4608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22117922176386776, var=61.59625659167355, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 16.28954566425683"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 16.28954566425683""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 16.28954566425683 +""", +) + +entry( + index = 4149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(7.5193e-08,'m^3/(mol*s)'), n=4.10093, w0=(411,'kJ/mol'), E0=(123.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1647076264758134, var=185.34408545574163, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 27.706529069700263"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 27.706529069700263""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 27.706529069700263 +""", +) + +entry( + index = 4150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.38746e-07,'m^3/(mol*s)'), n=3.96474, w0=(411,'kJ/mol'), E0=(79.6562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30358467201598416, var=89.36588392448324, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 19.714244020029263"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 19.714244020029263""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 19.714244020029263 +""", +) + +entry( + index = 4151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.535e-08,'m^3/(mol*s)'), n=4.10099, w0=(411,'kJ/mol'), E0=(85.8468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17117388694647478, var=178.91023685928857, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 27.24488654172287"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 27.24488654172287""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 27.24488654172287 +""", +) + +entry( + index = 4152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.13365,'m^3/(mol*s)'), n=1.90913, w0=(411,'kJ/mol'), E0=(49.057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42698478548246444, var=4.765961079959758, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.449379527591981"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.449379527591981""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.449379527591981 +""", +) + +entry( + index = 4153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_1C-inRing", + kinetics = ArrheniusBM(A=(3.94778e-07,'m^3/(mol*s)'), n=3.9826, w0=(411,'kJ/mol'), E0=(31.3917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5030604983217389, var=44.204037183692684, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_1C-inRing + Total Standard Deviation in ln(k): 14.5926761389513"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 14.5926761389513""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 14.5926761389513 +""", +) + +entry( + index = 4154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.04992e-07,'m^3/(mol*s)'), n=3.63743, w0=(411,'kJ/mol'), E0=(33.2851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2673999644957881, var=4.264794850335431, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 4.811913742770932"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.811913742770932""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.811913742770932 +""", +) + +entry( + index = 4155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S", + kinetics = ArrheniusBM(A=(2.70437e-12,'m^3/(mol*s)'), n=4.92154, w0=(411,'kJ/mol'), E0=(14.2609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12137989703114428, var=1.4653642625186227, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S + Total Standard Deviation in ln(k): 2.731751152076309"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S +Total Standard Deviation in ln(k): 2.731751152076309""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S +Total Standard Deviation in ln(k): 2.731751152076309 +""", +) + +entry( + index = 4156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.52224e-13,'m^3/(mol*s)'), n=5.25321, w0=(411,'kJ/mol'), E0=(11.0055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.013697347066095772, var=1.2095996349765243, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.239259169927529"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.239259169927529""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.239259169927529 +""", +) + +entry( + index = 4157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(5.14422e-10,'m^3/(mol*s)'), n=4.14736, w0=(411,'kJ/mol'), E0=(20.851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13132362525462718, var=0.04162788569010922, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 0.7389832101699476"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.7389832101699476""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 0.7389832101699476 +""", +) + +entry( + index = 4158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.06599e-09,'m^3/(mol*s)'), n=3.97436, w0=(411,'kJ/mol'), E0=(15.1619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25197481924692144, var=0.051610544730717085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 1.0885373595213765"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.0885373595213765""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.0885373595213765 +""", +) + +entry( + index = 4159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(2.20608e-14,'m^3/(mol*s)'), n=5.52802, w0=(411,'kJ/mol'), E0=(6.58975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09283295037314925, var=1.0850670893402563, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 2.321512058392884"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.321512058392884""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.321512058392884 +""", +) + +entry( + index = 4160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.85545e-12,'m^3/(mol*s)'), n=4.88926, w0=(411,'kJ/mol'), E0=(2.57976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033887616338194655, var=1.2784855932702932, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.351901467731282"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.351901467731282""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.351901467731282 +""", +) + +entry( + index = 4161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(5.00312e-08,'m^3/(mol*s)'), n=3.72911, w0=(411,'kJ/mol'), E0=(18.4033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1875093448523926, var=0.8844714688078844, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 2.3565090403060136"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.3565090403060136""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.3565090403060136 +""", +) + +entry( + index = 4162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.07854e-07,'m^3/(mol*s)'), n=3.65023, w0=(411,'kJ/mol'), E0=(18.2676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(4.45357e-09,'m^3/(mol*s)'), n=4.02176, w0=(411,'kJ/mol'), E0=(16.212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1668912268418356, var=2.9616758728091903, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 3.8693775818538656"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 3.8693775818538656""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 3.8693775818538656 +""", +) + +entry( + index = 4164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.02199e-09,'m^3/(mol*s)'), n=4.07402, w0=(411,'kJ/mol'), E0=(25.5944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08994634682608642, var=4.483628749734855, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 4.4709383479964835"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 4.4709383479964835""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 4.4709383479964835 +""", +) + +entry( + index = 4165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(8.7485e-10,'m^3/(mol*s)'), n=4.29319, w0=(411,'kJ/mol'), E0=(26.3101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0729181060889499, var=2.008986638996763, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 3.024697276093789"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 3.024697276093789""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 3.024697276093789 +""", +) + +entry( + index = 4166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(2.56145e-09,'m^3/(mol*s)'), n=4.1514, w0=(411,'kJ/mol'), E0=(29.7125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16440895511391068, var=3.691559475977898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 4.264871822875859"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 4.264871822875859""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 4.264871822875859 +""", +) + +entry( + index = 4167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(8.33666e-10,'m^3/(mol*s)'), n=4.30731, w0=(411,'kJ/mol'), E0=(24.0275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0028389509813628046, var=7.610946527440721, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 5.537784942567416"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 5.537784942567416""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 5.537784942567416 +""", +) + +entry( + index = 4168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(7.7941e-09,'m^3/(mol*s)'), n=3.8572, w0=(411,'kJ/mol'), E0=(29.523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23807251630788712, var=0.28630446663346254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 1.6708542950281375"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 1.6708542950281375""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 1.6708542950281375 +""", +) + +entry( + index = 4169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.79826e-08,'m^3/(mol*s)'), n=3.83657, w0=(411,'kJ/mol'), E0=(19.6834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5479566642657353, var=19.92755389902472, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 10.32597083351518"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 10.32597083351518""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 10.32597083351518 +""", +) + +entry( + index = 4170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S", + kinetics = ArrheniusBM(A=(7.50942e-06,'m^3/(mol*s)'), n=3.12696, w0=(411,'kJ/mol'), E0=(41.9309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33427062465823704, var=6.1406374652142866, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S + Total Standard Deviation in ln(k): 5.8076715404505945"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S +Total Standard Deviation in ln(k): 5.8076715404505945""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S +Total Standard Deviation in ln(k): 5.8076715404505945 +""", +) + +entry( + index = 4171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing", + kinetics = ArrheniusBM(A=(7.89086e-10,'m^3/(mol*s)'), n=4.29368, w0=(411,'kJ/mol'), E0=(30.2836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019507609190757766, var=0.5900422152960321, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing + Total Standard Deviation in ln(k): 1.5889354137448455"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing +Total Standard Deviation in ln(k): 1.5889354137448455""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing +Total Standard Deviation in ln(k): 1.5889354137448455 +""", +) + +entry( + index = 4172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.45414e-10,'m^3/(mol*s)'), n=4.42016, w0=(411,'kJ/mol'), E0=(24.3624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03376007447390219, var=1.4368479759590183, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.487872052738684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.487872052738684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_7C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.487872052738684 +""", +) + +entry( + index = 4173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing", + kinetics = ArrheniusBM(A=(3.26167e-05,'m^3/(mol*s)'), n=2.93974, w0=(411,'kJ/mol'), E0=(43.8544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38562786621348094, var=7.166050192884888, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing + Total Standard Deviation in ln(k): 6.335485642218539"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing +Total Standard Deviation in ln(k): 6.335485642218539""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing +Total Standard Deviation in ln(k): 6.335485642218539 +""", +) + +entry( + index = 4174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.28113e-19,'m^3/(mol*s)'), n=7.01705, w0=(411,'kJ/mol'), E0=(5.18498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07187607243833471, var=7.066677103742812, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 5.509824977841243"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 5.509824977841243""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 5.509824977841243 +""", +) + +entry( + index = 4175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C", + kinetics = ArrheniusBM(A=(1.79269e-09,'m^3/(mol*s)'), n=4.11363, w0=(411,'kJ/mol'), E0=(30.196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19117390712904367, var=6.749205292941838, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C + Total Standard Deviation in ln(k): 5.688484348612261"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 5.688484348612261""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 5.688484348612261 +""", +) + +entry( + index = 4176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.52096e-08,'m^3/(mol*s)'), n=3.67364, w0=(411,'kJ/mol'), E0=(33.4932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2839590947455212, var=12.099219623184242, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.686722029627455"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.686722029627455""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.686722029627455 +""", +) + +entry( + index = 4177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C", + kinetics = ArrheniusBM(A=(4.86501e-08,'m^3/(mol*s)'), n=3.57882, w0=(411,'kJ/mol'), E0=(29.7227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11198046228829846, var=12.798028548393075, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C + Total Standard Deviation in ln(k): 7.453163837990523"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C +Total Standard Deviation in ln(k): 7.453163837990523""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C +Total Standard Deviation in ln(k): 7.453163837990523 +""", +) + +entry( + index = 4178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.80085e-10,'m^3/(mol*s)'), n=4.03034, w0=(411,'kJ/mol'), E0=(22.1927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14157309196250642, var=61.27626891889719, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C_Ext-1C-R + Total Standard Deviation in ln(k): 16.048609076461204"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 16.048609076461204""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 16.048609076461204 +""", +) + +entry( + index = 4179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C", + kinetics = ArrheniusBM(A=(4.56827e-09,'m^3/(mol*s)'), n=3.98233, w0=(411,'kJ/mol'), E0=(35.2029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10709790434900085, var=23.6464486311342, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C + Total Standard Deviation in ln(k): 10.017638604284024"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C +Total Standard Deviation in ln(k): 10.017638604284024""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C +Total Standard Deviation in ln(k): 10.017638604284024 +""", +) + +entry( + index = 4180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.43804e-09,'m^3/(mol*s)'), n=4.00579, w0=(411,'kJ/mol'), E0=(13.738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10680794981125775, var=47.76039993661257, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C_Ext-1C-R + Total Standard Deviation in ln(k): 14.122865186882168"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 14.122865186882168""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 14.122865186882168 +""", +) + +entry( + index = 4181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C", + kinetics = ArrheniusBM(A=(4.42428e-09,'m^3/(mol*s)'), n=3.99592, w0=(411,'kJ/mol'), E0=(35.3782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25805731485502165, var=9.923769512204439, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C + Total Standard Deviation in ln(k): 6.963704667986823"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C +Total Standard Deviation in ln(k): 6.963704667986823""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C +Total Standard Deviation in ln(k): 6.963704667986823 +""", +) + +entry( + index = 4182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.70375e-09,'m^3/(mol*s)'), n=3.7762, w0=(411,'kJ/mol'), E0=(31.4512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3825749088450985, var=54.466680649086314, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-1C-R + Total Standard Deviation in ln(k): 15.756498120171022"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 15.756498120171022""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 15.756498120171022 +""", +) + +entry( + index = 4183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C", + kinetics = ArrheniusBM(A=(5.83459e-09,'m^3/(mol*s)'), n=4.11106, w0=(411,'kJ/mol'), E0=(27.2103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20512951622996065, var=0.4363066366971147, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C + Total Standard Deviation in ln(k): 1.8395987072368816"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C +Total Standard Deviation in ln(k): 1.8395987072368816""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C +Total Standard Deviation in ln(k): 1.8395987072368816 +""", +) + +entry( + index = 4184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.6657e-09,'m^3/(mol*s)'), n=4.06487, w0=(411,'kJ/mol'), E0=(23.6526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18922720715313313, var=2.1187508548229754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C_Ext-1C-R + Total Standard Deviation in ln(k): 3.393523502276282"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 3.393523502276282""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C_Ext-1C-R +Total Standard Deviation in ln(k): 3.393523502276282 +""", +) + +entry( + index = 4185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(8.86395e-08,'m^3/(mol*s)'), n=3.60991, w0=(411,'kJ/mol'), E0=(56.0545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45367221367088245, var=6.489629481822925, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C + Total Standard Deviation in ln(k): 6.246892663654738"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 6.246892663654738""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 6.246892663654738 +""", +) + +entry( + index = 4186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.31405e-08,'m^3/(mol*s)'), n=3.66227, w0=(411,'kJ/mol'), E0=(56.0834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5810689968376448, var=0.07991908391491251, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 2.0267102295277346"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 2.0267102295277346""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-9R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 2.0267102295277346 +""", +) + +entry( + index = 4187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.49013e-07,'m^3/(mol*s)'), n=3.64477, w0=(411,'kJ/mol'), E0=(27.5483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7514185700105898, var=0.3058983173858974, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.996766739441427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.996766739441427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-1C-R_N-1C-inRing_N-7R!H->S_N-7C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.996766739441427 +""", +) + +entry( + index = 4188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.87995e-10,'m^3/(mol*s)'), n=4.45236, w0=(411,'kJ/mol'), E0=(44.7296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013617466454714632, var=4.550632027967087, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.310757797116717"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.310757797116717""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.310757797116717 +""", +) + +entry( + index = 4189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.06701e-08,'m^3/(mol*s)'), n=3.93186, w0=(411,'kJ/mol'), E0=(46.4262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004258469702627382, var=2.0892767239790353, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 2.9084100251989033"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 2.9084100251989033""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 2.9084100251989033 +""", +) + +entry( + index = 4190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H", + kinetics = ArrheniusBM(A=(4.85695e-09,'m^3/(mol*s)'), n=4.26269, w0=(411,'kJ/mol'), E0=(37.9916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027397664425235873, var=0.11138279917065085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H + Total Standard Deviation in ln(k): 0.737899873682708"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H +Total Standard Deviation in ln(k): 0.737899873682708""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H +Total Standard Deviation in ln(k): 0.737899873682708 +""", +) + +entry( + index = 4191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H", + kinetics = ArrheniusBM(A=(1.75729e-09,'m^3/(mol*s)'), n=4.28959, w0=(411,'kJ/mol'), E0=(46.0072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.056534749211289266, var=2.0125509809460773, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H + Total Standard Deviation in ln(k): 2.9860526264494918"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H +Total Standard Deviation in ln(k): 2.9860526264494918""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H +Total Standard Deviation in ln(k): 2.9860526264494918 +""", +) + +entry( + index = 4192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(6.22e-10,'m^3/(mol*s)'), n=4.46451, w0=(411,'kJ/mol'), E0=(44.5243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13514233912765078, var=10.699769103966894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 6.897142597694223"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 6.897142597694223""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 6.897142597694223 +""", +) + +entry( + index = 4193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(8.23954e-10,'m^3/(mol*s)'), n=4.33816, w0=(411,'kJ/mol'), E0=(45.5412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0029112518584957403, var=0.0007261626740656666, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 0.06133711261752612"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.06133711261752612""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.06133711261752612 +""", +) + +entry( + index = 4194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.4717e-10,'m^3/(mol*s)'), n=4.2344, w0=(411,'kJ/mol'), E0=(55.2832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09564542591899486, var=0.8647406016858197, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.1045469527366674"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.1045469527366674""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.1045469527366674 +""", +) + +entry( + index = 4195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.8089e-08,'m^3/(mol*s)'), n=4.14581, w0=(411,'kJ/mol'), E0=(42.7824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17054101438781655, var=0.012230235677180703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 0.6501994570158133"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 0.6501994570158133""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 0.6501994570158133 +""", +) + +entry( + index = 4196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.23353e-10,'m^3/(mol*s)'), n=4.38167, w0=(411,'kJ/mol'), E0=(36.1859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08469638713086791, var=1.9643662007513152, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 3.0225584606137237"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 3.0225584606137237""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_4C-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 3.0225584606137237 +""", +) + +entry( + index = 4197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.81261,'m^3/(mol*s)'), n=1.85583, w0=(411,'kJ/mol'), E0=(65.1549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3021687421341175, var=7.551015056184385, Tref=1000.0, N=174, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing',), comment="""BM rule fitted to 174 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 6.268051586450547"""), + rank = 11, + shortDesc = """BM rule fitted to 174 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 6.268051586450547""", + longDesc = +""" +BM rule fitted to 174 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 6.268051586450547 +""", +) + +entry( + index = 4198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C", + kinetics = ArrheniusBM(A=(0.353198,'m^3/(mol*s)'), n=2.01836, w0=(411,'kJ/mol'), E0=(67.8737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18746365717605917, var=8.174293685285512, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C + Total Standard Deviation in ln(k): 6.202696486223627"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C +Total Standard Deviation in ln(k): 6.202696486223627""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C +Total Standard Deviation in ln(k): 6.202696486223627 +""", +) + +entry( + index = 4199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_1C-inRing", + kinetics = ArrheniusBM(A=(1.95283e-07,'m^3/(mol*s)'), n=4.17799, w0=(411,'kJ/mol'), E0=(31.7215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18977842876082765, var=26.90387594997477, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_1C-inRing + Total Standard Deviation in ln(k): 10.87517983965686"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_1C-inRing +Total Standard Deviation in ln(k): 10.87517983965686""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_1C-inRing +Total Standard Deviation in ln(k): 10.87517983965686 +""", +) + +entry( + index = 4200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing", + kinetics = ArrheniusBM(A=(0.00827627,'m^3/(mol*s)'), n=2.4768, w0=(411,'kJ/mol'), E0=(63.8105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14127788678066, var=8.09073845560631, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing + Total Standard Deviation in ln(k): 6.057282807274903"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 6.057282807274903""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 6.057282807274903 +""", +) + +entry( + index = 4201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00373361,'m^3/(mol*s)'), n=2.56875, w0=(411,'kJ/mol'), E0=(62.8175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13835147358075417, var=8.21867311033992, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.094837045881971"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.094837045881971""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.094837045881971 +""", +) + +entry( + index = 4202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(179.058,'m^3/(mol*s)'), n=1.46823, w0=(411,'kJ/mol'), E0=(95.2042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2054982667698032, var=15.889870533267603, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 8.507622409131425"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.507622409131425""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.507622409131425 +""", +) + +entry( + index = 4203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.15805e-08,'m^3/(mol*s)'), n=4.41075, w0=(411,'kJ/mol'), E0=(44.5056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1760333709483224, var=10.554886167059774, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.955335215777166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.955335215777166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.955335215777166 +""", +) + +entry( + index = 4204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(178.587,'m^3/(mol*s)'), n=1.44109, w0=(411,'kJ/mol'), E0=(98.3762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22741899860041828, var=18.21625681108651, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 9.127715477307508"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.127715477307508""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.127715477307508 +""", +) + +entry( + index = 4205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.92819e-10,'m^3/(mol*s)'), n=4.87271, w0=(411,'kJ/mol'), E0=(47.8808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21700024577993024, var=8.142225130076444, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 6.265654996267873"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 6.265654996267873""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 6.265654996267873 +""", +) + +entry( + index = 4206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(3.9826e-10,'m^3/(mol*s)'), n=4.85396, w0=(411,'kJ/mol'), E0=(56.4237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2159575477764268, var=6.318724752894615, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 5.581924247251433"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 5.581924247251433""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 5.581924247251433 +""", +) + +entry( + index = 4207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.32324e-20,'m^3/(mol*s)'), n=7.87218, w0=(411,'kJ/mol'), E0=(12.8165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18594109527514177, var=7.542679597854179, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 5.972980921786033"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 5.972980921786033""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 5.972980921786033 +""", +) + +entry( + index = 4208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.88388e-08,'m^3/(mol*s)'), n=4.29908, w0=(411,'kJ/mol'), E0=(59.7874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07046129327628471, var=1.7687228954277363, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 2.84320259831323"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.84320259831323""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 2.84320259831323 +""", +) + +entry( + index = 4209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(1.07212e-07,'m^3/(mol*s)'), n=4.15792, w0=(411,'kJ/mol'), E0=(58.1446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0861974607620791, var=8.359011872088358, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 6.012657726039974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 6.012657726039974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 6.012657726039974 +""", +) + +entry( + index = 4210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(8.0389e-09,'m^3/(mol*s)'), n=4.43581, w0=(411,'kJ/mol'), E0=(61.4622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2264314931906926, var=1.0725548085168397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 2.6451116364384655"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 2.6451116364384655""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 2.6451116364384655 +""", +) + +entry( + index = 4211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.86827e-07,'m^3/(mol*s)'), n=4.18055, w0=(411,'kJ/mol'), E0=(85.1245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06137105079033225, var=59.21732993767258, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 15.581195801033653"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 15.581195801033653""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 15.581195801033653 +""", +) + +entry( + index = 4212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.17357e-06,'m^3/(mol*s)'), n=3.31781, w0=(411,'kJ/mol'), E0=(19.4063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29990188041436194, var=96.71153930957979, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 20.468493073363927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 20.468493073363927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 20.468493073363927 +""", +) + +entry( + index = 4213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(8.68223e-10,'m^3/(mol*s)'), n=4.67875, w0=(411,'kJ/mol'), E0=(88.9399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021250451142494804, var=26.7174535824678, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 10.41565395679867"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.41565395679867""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.41565395679867 +""", +) + +entry( + index = 4214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.84523e-12,'m^3/(mol*s)'), n=5.39672, w0=(411,'kJ/mol'), E0=(88.3313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09164219017576761, var=52.33317089723267, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 14.732844921583345"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 14.732844921583345""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 14.732844921583345 +""", +) + +entry( + index = 4215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(5.78461e-08,'m^3/(mol*s)'), n=4.15834, w0=(411,'kJ/mol'), E0=(68.5449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07030387152996001, var=33.66123262439915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.807775227733734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.807775227733734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.807775227733734 +""", +) + +entry( + index = 4216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.92768e-08,'m^3/(mol*s)'), n=4.28953, w0=(411,'kJ/mol'), E0=(128.64,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03509191069216392, var=146.44760640217356, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 24.348580191680615"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 24.348580191680615""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 24.348580191680615 +""", +) + +entry( + index = 4217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(7.26311e-08,'m^3/(mol*s)'), n=4.15334, w0=(411,'kJ/mol'), E0=(84.1154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09759987080054315, var=63.13383022370687, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 16.174209160438295"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 16.174209160438295""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 16.174209160438295 +""", +) + +entry( + index = 4218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.01498e-09,'m^3/(mol*s)'), n=4.28959, w0=(411,'kJ/mol'), E0=(90.4165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03685558785192955, var=140.73776296900343, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 23.875365152700134"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 23.875365152700134""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 23.875365152700134 +""", +) + +entry( + index = 4219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(2.72324e-08,'m^3/(mol*s)'), n=4.40527, w0=(411,'kJ/mol'), E0=(37.5666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19368117169256455, var=3.0998547608362355, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 4.0162537595932015"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 4.0162537595932015""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 4.0162537595932015 +""", +) + +entry( + index = 4220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.78621e-08,'m^3/(mol*s)'), n=4.28731, w0=(411,'kJ/mol'), E0=(88.5518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03629930462375327, var=10.685933465360245, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 6.6445521554936"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 6.6445521554936""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 6.6445521554936 +""", +) + +entry( + index = 4221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(5.78591e-05,'m^3/(mol*s)'), n=2.98939, w0=(411,'kJ/mol'), E0=(50.3978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11680520955502377, var=5.347188170370553, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 4.929227396018709"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.929227396018709""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.929227396018709 +""", +) + +entry( + index = 4222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S", + kinetics = ArrheniusBM(A=(6.05226e-11,'m^3/(mol*s)'), n=4.65042, w0=(411,'kJ/mol'), E0=(24.9428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05109237752624349, var=1.3266990927558027, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S + Total Standard Deviation in ln(k): 2.4374752760055403"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 2.4374752760055403""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S +Total Standard Deviation in ln(k): 2.4374752760055403 +""", +) + +entry( + index = 4223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.02705e-09,'m^3/(mol*s)'), n=4.28678, w0=(411,'kJ/mol'), E0=(27.1935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01452285971420249, var=1.5124471352783833, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 2.5019446604574513"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.5019446604574513""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.5019446604574513 +""", +) + +entry( + index = 4224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.58184e-18,'m^3/(mol*s)'), n=6.78456, w0=(411,'kJ/mol'), E0=(1.27925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28673231464637805, var=0.7255294028627511, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.4280264715093556"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4280264715093556""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4280264715093556 +""", +) + +entry( + index = 4225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(3.16821e-18,'m^3/(mol*s)'), n=6.73071, w0=(411,'kJ/mol'), E0=(3.0148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26419035361148624, var=0.40002907764933077, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.9317467320926374"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.9317467320926374""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.9317467320926374 +""", +) + +entry( + index = 4226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.81208e-16,'m^3/(mol*s)'), n=6.18592, w0=(411,'kJ/mol'), E0=(0.378292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17202893182305692, var=0.0582856421718301, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 0.9162250502892465"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.9162250502892465""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.9162250502892465 +""", +) + +entry( + index = 4227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.86395e-09,'m^3/(mol*s)'), n=4.16985, w0=(411,'kJ/mol'), E0=(21.8721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05744842920823155, var=0.0481060565791482, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 0.58404319462469"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 0.58404319462469""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 0.58404319462469 +""", +) + +entry( + index = 4228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(7.05539e-09,'m^3/(mol*s)'), n=4.02743, w0=(411,'kJ/mol'), E0=(22.0901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(2.33535e-09,'m^3/(mol*s)'), n=4.21036, w0=(411,'kJ/mol'), E0=(22.0283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0337816972420623, var=0.046214031201668455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 0.5158455364393294"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 0.5158455364393294""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 0.5158455364393294 +""", +) + +entry( + index = 4230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.34035e-10,'m^3/(mol*s)'), n=4.26262, w0=(411,'kJ/mol'), E0=(33.1595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.061116839273755164, var=0.059520076280664684, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 0.6426498365291543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 0.6426498365291543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 0.6426498365291543 +""", +) + +entry( + index = 4231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C", + kinetics = ArrheniusBM(A=(8.44503e-10,'m^3/(mol*s)'), n=4.40564, w0=(411,'kJ/mol'), E0=(30.7444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09743438143379345, var=0.45291754825593755, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C + Total Standard Deviation in ln(k): 1.5939796543305498"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 1.5939796543305498""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C +Total Standard Deviation in ln(k): 1.5939796543305498 +""", +) + +entry( + index = 4232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.34e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(33.472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1657341758568727e-15, var=1.8305578935411846e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 8.870160971825271e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 8.870160971825271e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 8.870160971825271e-14 +""", +) + +entry( + index = 4233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(4.36637e-10,'m^3/(mol*s)'), n=4.49592, w0=(411,'kJ/mol'), E0=(27.8007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19838892835079652, var=0.5894167528860181, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 2.037569566642251"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.037569566642251""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.037569566642251 +""", +) + +entry( + index = 4234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.07821e-09,'m^3/(mol*s)'), n=4.0458, w0=(411,'kJ/mol'), E0=(35.0006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1792621214590362, var=2.5328566334183114, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C + Total Standard Deviation in ln(k): 3.640933380283064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 3.640933380283064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_N-8R!H-inRing_N-9R!H->C +Total Standard Deviation in ln(k): 3.640933380283064 +""", +) + +entry( + index = 4235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.58216e-10,'m^3/(mol*s)'), n=4.16296, w0=(411,'kJ/mol'), E0=(18.7311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10255334739687645, var=4.888514297297507, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.6901379445426405"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.6901379445426405""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.6901379445426405 +""", +) + +entry( + index = 4236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.98234e-08,'m^3/(mol*s)'), n=4.02517, w0=(411,'kJ/mol'), E0=(22.97,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.306566586287144, var=8.819257865573084, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.723776742562284"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.723776742562284""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.723776742562284 +""", +) + +entry( + index = 4237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S", + kinetics = ArrheniusBM(A=(0.00166172,'m^3/(mol*s)'), n=2.60059, w0=(411,'kJ/mol'), E0=(59.4437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15373000326340744, var=7.2416834262063725, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S + Total Standard Deviation in ln(k): 5.781073783855317"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 5.781073783855317""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S +Total Standard Deviation in ln(k): 5.781073783855317 +""", +) + +entry( + index = 4238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00177916,'m^3/(mol*s)'), n=2.55459, w0=(411,'kJ/mol'), E0=(57.974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21845315409354893, var=8.764862038203047, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 6.483997646935063"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 6.483997646935063""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 6.483997646935063 +""", +) + +entry( + index = 4239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00189078,'m^3/(mol*s)'), n=2.48355, w0=(411,'kJ/mol'), E0=(57.755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2907814152548995, var=12.253148180080306, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 7.748080893528698"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.748080893528698""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.748080893528698 +""", +) + +entry( + index = 4240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(2.16506e-11,'m^3/(mol*s)'), n=4.70483, w0=(411,'kJ/mol'), E0=(40.3283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04511417113546046, var=10.862787754577692, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R + Total Standard Deviation in ln(k): 6.720707116085463"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 6.720707116085463""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R +Total Standard Deviation in ln(k): 6.720707116085463 +""", +) + +entry( + index = 4241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C", + kinetics = ArrheniusBM(A=(3.50483e-09,'m^3/(mol*s)'), n=4.05338, w0=(411,'kJ/mol'), E0=(43.8205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05518315708711101, var=13.633292875304324, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C + Total Standard Deviation in ln(k): 7.540792457588749"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 7.540792457588749""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 7.540792457588749 +""", +) + +entry( + index = 4242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.48155e-10,'m^3/(mol*s)'), n=4.25613, w0=(411,'kJ/mol'), E0=(59.9291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08827604927965967, var=4.6587202997940285, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.548833121069564"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.548833121069564""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.548833121069564 +""", +) + +entry( + index = 4243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C", + kinetics = ArrheniusBM(A=(3.56132e-10,'m^3/(mol*s)'), n=4.21894, w0=(411,'kJ/mol'), E0=(62.282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13558624709075062, var=3.406424846814909, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C + Total Standard Deviation in ln(k): 4.040708760124958"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C +Total Standard Deviation in ln(k): 4.040708760124958""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_Sp-10C=7C +Total Standard Deviation in ln(k): 4.040708760124958 +""", +) + +entry( + index = 4244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C", + kinetics = ArrheniusBM(A=(7.53729e-10,'m^3/(mol*s)'), n=4.1944, w0=(411,'kJ/mol'), E0=(58.4343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05113326500846317, var=23.247680667308888, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C + Total Standard Deviation in ln(k): 9.794475859551925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C +Total Standard Deviation in ln(k): 9.794475859551925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Ext-8R!H-R_N-Sp-10C=7C +Total Standard Deviation in ln(k): 9.794475859551925 +""", +) + +entry( + index = 4245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C", + kinetics = ArrheniusBM(A=(3.50202e-09,'m^3/(mol*s)'), n=3.9648, w0=(411,'kJ/mol'), E0=(35.1623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2348637353153315, var=87.86289826799478, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C + Total Standard Deviation in ln(k): 19.381536484337772"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 19.381536484337772""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 19.381536484337772 +""", +) + +entry( + index = 4246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + kinetics = ArrheniusBM(A=(2.96393e-09,'m^3/(mol*s)'), n=4.25348, w0=(411,'kJ/mol'), E0=(27.173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012811769523510147, var=11.85159525245498, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C + Total Standard Deviation in ln(k): 6.933720613032822"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 6.933720613032822""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 6.933720613032822 +""", +) + +entry( + index = 4247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(4.35127e-08,'m^3/(mol*s)'), n=3.85087, w0=(411,'kJ/mol'), E0=(60.0922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3619834297085132, var=3.1446825168669488, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C + Total Standard Deviation in ln(k): 4.464553479254787"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 4.464553479254787""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_Ext-1C-R_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 4.464553479254787 +""", +) + +entry( + index = 4248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_7C-inRing", + kinetics = ArrheniusBM(A=(1.58182e-09,'m^3/(mol*s)'), n=4.39933, w0=(411,'kJ/mol'), E0=(38.8199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14509620886605368, var=0.18132777710501652, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_7C-inRing + Total Standard Deviation in ln(k): 1.218231645753697"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_7C-inRing +Total Standard Deviation in ln(k): 1.218231645753697""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_7C-inRing +Total Standard Deviation in ln(k): 1.218231645753697 +""", +) + +entry( + index = 4249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.0101586,'m^3/(mol*s)'), n=2.39335, w0=(411,'kJ/mol'), E0=(60.8635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17809846047460554, var=8.146692145017406, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing + Total Standard Deviation in ln(k): 6.1694807822399085"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing +Total Standard Deviation in ln(k): 6.1694807822399085""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing +Total Standard Deviation in ln(k): 6.1694807822399085 +""", +) + +entry( + index = 4250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(7.96693e-08,'m^3/(mol*s)'), n=3.82053, w0=(411,'kJ/mol'), E0=(49.9861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020326239065643147, var=8.279495059519249, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 5.8195180633783785"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 5.8195180633783785""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 5.8195180633783785 +""", +) + +entry( + index = 4251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C", + kinetics = ArrheniusBM(A=(1.25721e-07,'m^3/(mol*s)'), n=3.79723, w0=(411,'kJ/mol'), E0=(47.3956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023089099133931604, var=7.494590140331655, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C + Total Standard Deviation in ln(k): 5.546225494965537"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 5.546225494965537""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 5.546225494965537 +""", +) + +entry( + index = 4252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.36023e-08,'m^3/(mol*s)'), n=3.85524, w0=(411,'kJ/mol'), E0=(50.9043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0037361317069851438, var=13.953924345953816, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.498065512862169"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.498065512862169""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.498065512862169 +""", +) + +entry( + index = 4253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C", + kinetics = ArrheniusBM(A=(4.06419e-09,'m^3/(mol*s)'), n=4.07576, w0=(411,'kJ/mol'), E0=(35.5324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15485614074525655, var=30.93568274270199, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C + Total Standard Deviation in ln(k): 11.539393219871851"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C +Total Standard Deviation in ln(k): 11.539393219871851""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_Sp-9C=7C +Total Standard Deviation in ln(k): 11.539393219871851 +""", +) + +entry( + index = 4254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C", + kinetics = ArrheniusBM(A=(2.14181e-10,'m^3/(mol*s)'), n=4.59146, w0=(411,'kJ/mol'), E0=(57.6844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23485910246894195, var=51.52740586925167, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C + Total Standard Deviation in ln(k): 14.980606361775804"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C +Total Standard Deviation in ln(k): 14.980606361775804""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Ext-8R!H-R_N-Sp-9C=7C +Total Standard Deviation in ln(k): 14.980606361775804 +""", +) + +entry( + index = 4255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C", + kinetics = ArrheniusBM(A=(2.20051e-09,'m^3/(mol*s)'), n=4.35855, w0=(411,'kJ/mol'), E0=(43.2062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05543032111980809, var=15.741160836960438, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C + Total Standard Deviation in ln(k): 8.093085006468053"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C +Total Standard Deviation in ln(k): 8.093085006468053""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_Sp-9C=7C +Total Standard Deviation in ln(k): 8.093085006468053 +""", +) + +entry( + index = 4256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C", + kinetics = ArrheniusBM(A=(8.1986e-09,'m^3/(mol*s)'), n=4.22653, w0=(411,'kJ/mol'), E0=(34.7463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.024188443655645733, var=8.124807325181049, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C + Total Standard Deviation in ln(k): 5.775081401523918"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C +Total Standard Deviation in ln(k): 5.775081401523918""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_9R!H->C_N-Sp-9C=7C +Total Standard Deviation in ln(k): 5.775081401523918 +""", +) + +entry( + index = 4257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.49862e-10,'m^3/(mol*s)'), n=4.33079, w0=(411,'kJ/mol'), E0=(56.6856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033505853277625175, var=22.997286282257136, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C + Total Standard Deviation in ln(k): 9.69799003539019"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 9.69799003539019""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 9.69799003539019 +""", +) + +entry( + index = 4258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_7C-inRing", + kinetics = ArrheniusBM(A=(3.25619e-10,'m^3/(mol*s)'), n=4.65311, w0=(411,'kJ/mol'), E0=(47.1857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36617956770048193, var=1.4607185405719685, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_7C-inRing + Total Standard Deviation in ln(k): 3.342975778566859"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_7C-inRing +Total Standard Deviation in ln(k): 3.342975778566859""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_7C-inRing +Total Standard Deviation in ln(k): 3.342975778566859 +""", +) + +entry( + index = 4259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.00423715,'m^3/(mol*s)'), n=2.58273, w0=(411,'kJ/mol'), E0=(64.8189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011153685587566747, var=5.96572099688784, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing + Total Standard Deviation in ln(k): 4.92455477538294"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing +Total Standard Deviation in ln(k): 4.92455477538294""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing +Total Standard Deviation in ln(k): 4.92455477538294 +""", +) + +entry( + index = 4260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(2.53252e-10,'m^3/(mol*s)'), n=4.58991, w0=(411,'kJ/mol'), E0=(47.9949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19093905799712949, var=6.481611777768473, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 5.583603366316151"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 5.583603366316151""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 5.583603366316151 +""", +) + +entry( + index = 4261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(6.49364e-07,'m^3/(mol*s)'), n=3.68897, w0=(411,'kJ/mol'), E0=(51.699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13195474746598007, var=3.833213090038699, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 4.256533833272319"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.256533833272319""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.256533833272319 +""", +) + +entry( + index = 4262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(4.3134e-10,'m^3/(mol*s)'), n=4.52676, w0=(411,'kJ/mol'), E0=(48.7079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20815259611998507, var=4.045914434825187, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 4.555412538063009"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 4.555412538063009""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 4.555412538063009 +""", +) + +entry( + index = 4263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(2.54342e-09,'m^3/(mol*s)'), n=4.4513, w0=(411,'kJ/mol'), E0=(40.3272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20722734175325355, var=2.4971716391546273, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 3.6886426328759754"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 3.6886426328759754""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 3.6886426328759754 +""", +) + +entry( + index = 4264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.86518e-10,'m^3/(mol*s)'), n=4.423, w0=(411,'kJ/mol'), E0=(58.1226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12229605547334411, var=1.1315552649922345, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.439805169993934"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.439805169993934""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->S_N-7C-inRing_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.439805169993934 +""", +) + +entry( + index = 4265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C", + kinetics = ArrheniusBM(A=(1.94831,'m^3/(mol*s)'), n=1.68817, w0=(411,'kJ/mol'), E0=(62.4848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.41579584857842783, var=7.201618754866355, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C + Total Standard Deviation in ln(k): 6.42458654791164"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C +Total Standard Deviation in ln(k): 6.42458654791164""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C +Total Standard Deviation in ln(k): 6.42458654791164 +""", +) + +entry( + index = 4266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_1C-inRing", + kinetics = ArrheniusBM(A=(0.000429023,'m^3/(mol*s)'), n=3.07517, w0=(411,'kJ/mol'), E0=(1.73347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5701472030880428, var=9.174719844038544, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_1C-inRing + Total Standard Deviation in ln(k): 7.504833116954605"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_1C-inRing +Total Standard Deviation in ln(k): 7.504833116954605""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_1C-inRing +Total Standard Deviation in ln(k): 7.504833116954605 +""", +) + +entry( + index = 4267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing", + kinetics = ArrheniusBM(A=(0.0286924,'m^3/(mol*s)'), n=2.20505, w0=(411,'kJ/mol'), E0=(57.9721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36377253716536784, var=7.1298459390198365, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing + Total Standard Deviation in ln(k): 6.26699911758329"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 6.26699911758329""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 6.26699911758329 +""", +) + +entry( + index = 4268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0157582,'m^3/(mol*s)'), n=2.2732, w0=(411,'kJ/mol'), E0=(57.1744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36206601102413627, var=7.256086787799305, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.309893441588433"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.309893441588433""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.309893441588433 +""", +) + +entry( + index = 4269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(2881.33,'m^3/(mol*s)'), n=0.980419, w0=(411,'kJ/mol'), E0=(89.2494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46155751496494873, var=13.485314529101966, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 8.52155183044582"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.52155183044582""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 8.52155183044582 +""", +) + +entry( + index = 4270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.26002e-08,'m^3/(mol*s)'), n=4.25483, w0=(411,'kJ/mol'), E0=(38.4406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05529425691490919, var=16.731145746858395, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 8.339043170769644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 8.339043170769644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 8.339043170769644 +""", +) + +entry( + index = 4271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1772.43,'m^3/(mol*s)'), n=1.01451, w0=(411,'kJ/mol'), E0=(91.8725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47540831964480684, var=15.210025607163077, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 9.012966648757931"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.012966648757931""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 9.012966648757931 +""", +) + +entry( + index = 4272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.09672e-08,'m^3/(mol*s)'), n=4.15177, w0=(411,'kJ/mol'), E0=(44.2562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15123487877205744, var=7.470738464568296, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.859459685555689"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.859459685555689""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.859459685555689 +""", +) + +entry( + index = 4273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(8.20978e-18,'m^3/(mol*s)'), n=6.9267, w0=(411,'kJ/mol'), E0=(18.7757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20513948307459257, var=10.955360019571513, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.150874850935011"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.150874850935011""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.150874850935011 +""", +) + +entry( + index = 4274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C", + kinetics = ArrheniusBM(A=(3.16091e-08,'m^3/(mol*s)'), n=4.14241, w0=(411,'kJ/mol'), E0=(51.2407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19166262139753212, var=2.312236037066685, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C + Total Standard Deviation in ln(k): 3.5299722314768367"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C +Total Standard Deviation in ln(k): 3.5299722314768367""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C +Total Standard Deviation in ln(k): 3.5299722314768367 +""", +) + +entry( + index = 4275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.16924e-07,'m^3/(mol*s)'), n=4.002, w0=(411,'kJ/mol'), E0=(51.9084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34818493296507735, var=13.93626962757028, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 8.358775867753952"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 8.358775867753952""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 8.358775867753952 +""", +) + +entry( + index = 4276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(8.74825e-09,'m^3/(mol*s)'), n=4.2799, w0=(411,'kJ/mol'), E0=(50.5994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03483944215443085, var=1.340987307937078, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 2.4090396817603748"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.4090396817603748""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.4090396817603748 +""", +) + +entry( + index = 4277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.03189e-07,'m^3/(mol*s)'), n=4.02463, w0=(411,'kJ/mol'), E0=(74.3261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3393871748752583, var=99.25571641149682, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_N-9R!H->C + Total Standard Deviation in ln(k): 20.82533846182771"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 20.82533846182771""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_Ext-8R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 20.82533846182771 +""", +) + +entry( + index = 4278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(1.12572e-07,'m^3/(mol*s)'), n=3.95839, w0=(411,'kJ/mol'), E0=(12.2399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35402666729053944, var=0.15836130269230136, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 1.6872912593226645"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 1.6872912593226645""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 1.6872912593226645 +""", +) + +entry( + index = 4279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.000311859,'m^3/(mol*s)'), n=2.70167, w0=(411,'kJ/mol'), E0=(11.9025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0049138695417616654, var=39.03955282496755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 12.538259858413983"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 12.538259858413983""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 12.538259858413983 +""", +) + +entry( + index = 4280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.54745e-09,'m^3/(mol*s)'), n=4.32729, w0=(411,'kJ/mol'), E0=(81.4271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20016329264234814, var=19.52521809582006, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 9.361315692884554"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 9.361315692884554""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 9.361315692884554 +""", +) + +entry( + index = 4281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.27741e-10,'m^3/(mol*s)'), n=4.81555, w0=(411,'kJ/mol'), E0=(83.7917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14085886553744334, var=40.50466395960782, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R + Total Standard Deviation in ln(k): 13.112707241452256"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 13.112707241452256""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R +Total Standard Deviation in ln(k): 13.112707241452256 +""", +) + +entry( + index = 4282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(6.29696e-08,'m^3/(mol*s)'), n=4.00242, w0=(411,'kJ/mol'), E0=(62.2115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23009337093955518, var=25.21638652669253, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 10.645085736672993"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 10.645085736672993""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 10.645085736672993 +""", +) + +entry( + index = 4283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.28185e-08,'m^3/(mol*s)'), n=4.13362, w0=(411,'kJ/mol'), E0=(118.417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17111240850101092, var=97.91870611051327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 20.26756234981083"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 20.26756234981083""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 20.26756234981083 +""", +) + +entry( + index = 4284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(7.89204e-08,'m^3/(mol*s)'), n=3.99742, w0=(411,'kJ/mol'), E0=(73.9019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31672989673644425, var=32.96062808412177, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 12.305257954701188"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 12.305257954701188""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 12.305257954701188 +""", +) + +entry( + index = 4285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.71188e-09,'m^3/(mol*s)'), n=4.13367, w0=(411,'kJ/mol'), E0=(80.2091,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18008643263478552, var=93.32611157693312, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 19.819310022080337"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 19.819310022080337""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_N-7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 19.819310022080337 +""", +) + +entry( + index = 4286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(6.27997e-06,'m^3/(mol*s)'), n=3.58292, w0=(411,'kJ/mol'), E0=(14.09,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19427204234893045, var=0.1659333864778234, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 1.304747978132478"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 1.304747978132478""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 1.304747978132478 +""", +) + +entry( + index = 4287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.30034e-08,'m^3/(mol*s)'), n=4.1314, w0=(411,'kJ/mol'), E0=(78.3011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19102895014471422, var=1.1275695291903909, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 2.6087418140005734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.6087418140005734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.6087418140005734 +""", +) + +entry( + index = 4288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(9.53421e-06,'m^3/(mol*s)'), n=3.10786, w0=(411,'kJ/mol'), E0=(41.891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29174310434927725, var=4.843801924314517, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 5.145171944343906"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.145171944343906""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.145171944343906 +""", +) + +entry( + index = 4289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.205e-06,'m^3/(mol*s)'), n=3.11545, w0=(411,'kJ/mol'), E0=(38.9951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33219439348027696, var=5.194758654268907, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 5.403854113507638"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.403854113507638""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.403854113507638 +""", +) + +entry( + index = 4290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S", + kinetics = ArrheniusBM(A=(1.91598e-12,'m^3/(mol*s)'), n=4.95019, w0=(411,'kJ/mol'), E0=(14.2742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15064907659083715, var=2.164711356878318, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S + Total Standard Deviation in ln(k): 3.328073584862753"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 3.328073584862753""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 3.328073584862753 +""", +) + +entry( + index = 4291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.87261e-18,'m^3/(mol*s)'), n=6.56155, w0=(411,'kJ/mol'), E0=(-4.61622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0147534406182824, var=1.3123134812774975, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.3336183082617628"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3336183082617628""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3336183082617628 +""", +) + +entry( + index = 4292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.00241e-10,'m^3/(mol*s)'), n=4.22732, w0=(411,'kJ/mol'), E0=(17.5782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13853523960476566, var=2.476015862371944, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 3.5026015094681773"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.5026015094681773""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.5026015094681773 +""", +) + +entry( + index = 4293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.06794e-10,'m^3/(mol*s)'), n=4.00704, w0=(411,'kJ/mol'), E0=(12.3665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28518393470045456, var=8.888172297875867, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.693266836909918"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.693266836909918""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.693266836909918 +""", +) + +entry( + index = 4294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.80582e-17,'m^3/(mol*s)'), n=6.24768, w0=(411,'kJ/mol'), E0=(1.98997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20077525658254783, var=0.947106364193011, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 2.455456389222481"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.455456389222481""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.455456389222481 +""", +) + +entry( + index = 4295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.9106e-14,'m^3/(mol*s)'), n=5.44944, w0=(411,'kJ/mol'), E0=(0.0471737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13662463336699368, var=0.9102473935635738, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.255933287316764"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.255933287316764""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.255933287316764 +""", +) + +entry( + index = 4296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C", + kinetics = ArrheniusBM(A=(4.01782e-10,'m^3/(mol*s)'), n=4.32386, w0=(411,'kJ/mol'), E0=(14.8474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15340558639099036, var=0.9940244828605104, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C + Total Standard Deviation in ln(k): 2.384177610153424"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.384177610153424""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C +Total Standard Deviation in ln(k): 2.384177610153424 +""", +) + +entry( + index = 4297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(1.64594e-08,'m^3/(mol*s)'), n=3.7156, w0=(411,'kJ/mol'), E0=(15.1283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_Sp-9C=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H", + kinetics = ArrheniusBM(A=(6.30379e-09,'m^3/(mol*s)'), n=4.05444, w0=(411,'kJ/mol'), E0=(19.6925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19693664081767978, var=1.4734707593272092, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H + Total Standard Deviation in ln(k): 2.9282955070051746"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.9282955070051746""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_9R!H->C_N-Sp-9C=8R!H +Total Standard Deviation in ln(k): 2.9282955070051746 +""", +) + +entry( + index = 4299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(6.81046e-10,'m^3/(mol*s)'), n=4.10671, w0=(411,'kJ/mol'), E0=(30.9966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1518884474191885, var=3.4617377698330762, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C + Total Standard Deviation in ln(k): 4.111588390632645"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 4.111588390632645""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Ext-1C-R_N-9R!H->C +Total Standard Deviation in ln(k): 4.111588390632645 +""", +) + +entry( + index = 4300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(7.06539e-19,'m^3/(mol*s)'), n=6.79483, w0=(411,'kJ/mol'), E0=(0.377443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09771439972332398, var=1.9377878220768932, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.036193956692533"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.036193956692533""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.036193956692533 +""", +) + +entry( + index = 4301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_9R!H->C", + kinetics = ArrheniusBM(A=(1.45769e-09,'m^3/(mol*s)'), n=4.18408, w0=(411,'kJ/mol'), E0=(27.3334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1767177616710958, var=0.5894265502629366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_9R!H->C + Total Standard Deviation in ln(k): 1.9831321906728323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_9R!H->C +Total Standard Deviation in ln(k): 1.9831321906728323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_9R!H->C +Total Standard Deviation in ln(k): 1.9831321906728323 +""", +) + +entry( + index = 4302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-9R!H->C", + kinetics = ArrheniusBM(A=(6.10455e-09,'m^3/(mol*s)'), n=3.88988, w0=(411,'kJ/mol'), E0=(37.3029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30551010762189124, var=6.896676412825834, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-9R!H->C + Total Standard Deviation in ln(k): 6.032353164794576"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 6.032353164794576""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 6.032353164794576 +""", +) + +entry( + index = 4303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.18e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(27.6144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9428902930938674e-15, var=6.193112773808902e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 5.4771401815050314e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 5.4771401815050314e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 5.4771401815050314e-14 +""", +) + +entry( + index = 4304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.61348e-07,'m^3/(mol*s)'), n=3.61911, w0=(411,'kJ/mol'), E0=(5.01366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7946768321144871, var=0.5181649522800451, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 3.4397574481354947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.4397574481354947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 3.4397574481354947 +""", +) + +entry( + index = 4305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(0.000496112,'m^3/(mol*s)'), n=2.62221, w0=(411,'kJ/mol'), E0=(48.043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39540326170139795, var=7.339988461403956, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S + Total Standard Deviation in ln(k): 6.424786613865143"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 6.424786613865143""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 6.424786613865143 +""", +) + +entry( + index = 4306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000541189,'m^3/(mol*s)'), n=2.54786, w0=(411,'kJ/mol'), E0=(45.0025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4675972641686039, var=11.49510704628064, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 7.971808486510716"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.971808486510716""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.971808486510716 +""", +) + +entry( + index = 4307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.000541189,'m^3/(mol*s)'), n=2.54786, w0=(411,'kJ/mol'), E0=(45.0025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4675972641686039, var=11.49510704628064, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing + Total Standard Deviation in ln(k): 7.971808486510716"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing +Total Standard Deviation in ln(k): 7.971808486510716""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing +Total Standard Deviation in ln(k): 7.971808486510716 +""", +) + +entry( + index = 4308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R", + kinetics = ArrheniusBM(A=(4.29846e-18,'m^3/(mol*s)'), n=6.54333, w0=(411,'kJ/mol'), E0=(11.886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1715708803612104, var=13.476107782254145, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R + Total Standard Deviation in ln(k): 7.790428707855476"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 7.790428707855476""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R +Total Standard Deviation in ln(k): 7.790428707855476 +""", +) + +entry( + index = 4309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C", + kinetics = ArrheniusBM(A=(2.31575e-09,'m^3/(mol*s)'), n=4.02459, w0=(411,'kJ/mol'), E0=(32.3938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2738968433649071, var=14.753382212779579, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C + Total Standard Deviation in ln(k): 8.388396868774164"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 8.388396868774164""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C +Total Standard Deviation in ln(k): 8.388396868774164 +""", +) + +entry( + index = 4310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C", + kinetics = ArrheniusBM(A=(7.10523e-09,'m^3/(mol*s)'), n=3.71616, w0=(411,'kJ/mol'), E0=(26.6194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13316889280948355, var=38.52940182722159, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C + Total Standard Deviation in ln(k): 12.778398082321965"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 12.778398082321965""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C +Total Standard Deviation in ln(k): 12.778398082321965 +""", +) + +entry( + index = 4311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.87407e-10,'m^3/(mol*s)'), n=4.06302, w0=(411,'kJ/mol'), E0=(20.2998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14140872438916802, var=113.23987010810815, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C_Ext-8R!H-R + Total Standard Deviation in ln(k): 21.688531005829915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 21.688531005829915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_Sp-10C=7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 21.688531005829915 +""", +) + +entry( + index = 4312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C", + kinetics = ArrheniusBM(A=(5.12066e-09,'m^3/(mol*s)'), n=4.09478, w0=(411,'kJ/mol'), E0=(40.1571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21121568654841164, var=12.85012806964247, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C + Total Standard Deviation in ln(k): 7.717081605683078"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 7.717081605683078""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C +Total Standard Deviation in ln(k): 7.717081605683078 +""", +) + +entry( + index = 4313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.05352e-09,'m^3/(mol*s)'), n=4.03848, w0=(411,'kJ/mol'), E0=(53.8928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22812608439167933, var=0.3683885161460961, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7899554246191984"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7899554246191984""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_10R!H->C_N-Sp-10C=7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7899554246191984 +""", +) + +entry( + index = 4314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-10R!H->C", + kinetics = ArrheniusBM(A=(6.50507e-08,'m^3/(mol*s)'), n=3.69496, w0=(411,'kJ/mol'), E0=(53.931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6249902594118085, var=29.248313166171048, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-10R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-10R!H->C + Total Standard Deviation in ln(k): 12.412277319235116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 12.412277319235116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_Ext-7C-R_N-10R!H->C +Total Standard Deviation in ln(k): 12.412277319235116 +""", +) + +entry( + index = 4315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_8R!H-inRing", + kinetics = ArrheniusBM(A=(8.27198e-11,'m^3/(mol*s)'), n=4.45285, w0=(411,'kJ/mol'), E0=(21.4431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03287173858165949, var=15.657692673517733, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_8R!H-inRing + Total Standard Deviation in ln(k): 8.015289409297704"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_8R!H-inRing +Total Standard Deviation in ln(k): 8.015289409297704""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_8R!H-inRing +Total Standard Deviation in ln(k): 8.015289409297704 +""", +) + +entry( + index = 4316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(7.30917e-07,'m^3/(mol*s)'), n=3.63977, w0=(411,'kJ/mol'), E0=(13.5383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9730233472566605, var=9.468338393128636, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_N-8R!H-inRing + Total Standard Deviation in ln(k): 8.61348547567973"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_N-8R!H-inRing +Total Standard Deviation in ln(k): 8.61348547567973""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-1C-R_N-7C-inRing_N-8R!H-inRing +Total Standard Deviation in ln(k): 8.61348547567973 +""", +) + +entry( + index = 4317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.04729e-08,'m^3/(mol*s)'), n=4.00597, w0=(411,'kJ/mol'), E0=(41.0157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15678532227245007, var=4.859607825483809, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R + Total Standard Deviation in ln(k): 4.813274859959533"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 4.813274859959533""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R +Total Standard Deviation in ln(k): 4.813274859959533 +""", +) + +entry( + index = 4318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C", + kinetics = ArrheniusBM(A=(1.50182e-08,'m^3/(mol*s)'), n=3.99564, w0=(411,'kJ/mol'), E0=(38.9924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1599563609948688, var=3.840866025689999, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C + Total Standard Deviation in ln(k): 4.3308057749944995"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 4.3308057749944995""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C +Total Standard Deviation in ln(k): 4.3308057749944995 +""", +) + +entry( + index = 4319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C", + kinetics = ArrheniusBM(A=(3.39704e-10,'m^3/(mol*s)'), n=4.3426, w0=(411,'kJ/mol'), E0=(30.4274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07753596587044971, var=13.911078153795856, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C + Total Standard Deviation in ln(k): 7.671986220254637"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C +Total Standard Deviation in ln(k): 7.671986220254637""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C +Total Standard Deviation in ln(k): 7.671986220254637 +""", +) + +entry( + index = 4320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.42549e-09,'m^3/(mol*s)'), n=3.91984, w0=(411,'kJ/mol'), E0=(28.563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26208972741675957, var=39.78817243364927, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-8R!H-R + Total Standard Deviation in ln(k): 13.303958062894795"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 13.303958062894795""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_Sp-9C=7C_Ext-8R!H-R +Total Standard Deviation in ln(k): 13.303958062894795 +""", +) + +entry( + index = 4321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C", + kinetics = ArrheniusBM(A=(9.46099e-08,'m^3/(mol*s)'), n=3.84962, w0=(411,'kJ/mol'), E0=(43.8808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12799044621494085, var=3.050661393178151, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C + Total Standard Deviation in ln(k): 3.8230829208597408"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C +Total Standard Deviation in ln(k): 3.8230829208597408""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C +Total Standard Deviation in ln(k): 3.8230829208597408 +""", +) + +entry( + index = 4322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_7C-inRing", + kinetics = ArrheniusBM(A=(1.7157e-09,'m^3/(mol*s)'), n=4.24341, w0=(411,'kJ/mol'), E0=(32.7486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07746151674986221, var=1.5933001157468243, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_7C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_7C-inRing + Total Standard Deviation in ln(k): 2.725123672947055"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_7C-inRing +Total Standard Deviation in ln(k): 2.725123672947055""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_7C-inRing +Total Standard Deviation in ln(k): 2.725123672947055 +""", +) + +entry( + index = 4323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing", + kinetics = ArrheniusBM(A=(2.61022e-07,'m^3/(mol*s)'), n=3.77592, w0=(411,'kJ/mol'), E0=(48.3025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13920776048826403, var=6.119066411605606, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing + Total Standard Deviation in ln(k): 5.308830639086873"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing +Total Standard Deviation in ln(k): 5.308830639086873""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing +Total Standard Deviation in ln(k): 5.308830639086873 +""", +) + +entry( + index = 4324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.4357e-09,'m^3/(mol*s)'), n=4.43554, w0=(411,'kJ/mol'), E0=(53.1999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03932409556582447, var=8.844132324749934, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.060703135329599"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.060703135329599""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_9R!H->C_N-Sp-9C=7C_N-7C-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.060703135329599 +""", +) + +entry( + index = 4325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(6.73079e-10,'m^3/(mol*s)'), n=4.17488, w0=(411,'kJ/mol'), E0=(50.0659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13340437849695888, var=1.4842089299216703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C + Total Standard Deviation in ln(k): 2.7775178110646856"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 2.7775178110646856""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->S_Ext-7C-R_N-9R!H->C +Total Standard Deviation in ln(k): 2.7775178110646856 +""", +) + +entry( + index = 4326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing", + kinetics = ArrheniusBM(A=(3.54999e-10,'m^3/(mol*s)'), n=4.49719, w0=(411,'kJ/mol'), E0=(41.3384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1375160476949355, var=0.19590456449477156, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing + Total Standard Deviation in ln(k): 1.2328356572430792"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing +Total Standard Deviation in ln(k): 1.2328356572430792""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing +Total Standard Deviation in ln(k): 1.2328356572430792 +""", +) + +entry( + index = 4327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00170243,'m^3/(mol*s)'), n=2.5668, w0=(411,'kJ/mol'), E0=(58.0176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20165264914222322, var=5.588098600913475, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing + Total Standard Deviation in ln(k): 5.245690165043105"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing +Total Standard Deviation in ln(k): 5.245690165043105""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing +Total Standard Deviation in ln(k): 5.245690165043105 +""", +) + +entry( + index = 4328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.48761e-10,'m^3/(mol*s)'), n=4.4556, w0=(411,'kJ/mol'), E0=(45.1927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030864507130014488, var=8.614306009507354, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.9614741315181305"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.9614741315181305""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.9614741315181305 +""", +) + +entry( + index = 4329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.25351e-06,'m^3/(mol*s)'), n=3.51833, w0=(411,'kJ/mol'), E0=(48.8543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08815585878574679, var=5.279372779705455, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 4.8277540123764355"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 4.8277540123764355""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 4.8277540123764355 +""", +) + +entry( + index = 4330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(4.70508e-10,'m^3/(mol*s)'), n=4.37084, w0=(411,'kJ/mol'), E0=(42.6096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006458941210308959, var=8.138513756077241, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 5.735352857467845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 5.735352857467845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 5.735352857467845 +""", +) + +entry( + index = 4331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(6.85766e-09,'m^3/(mol*s)'), n=4.29538, w0=(411,'kJ/mol'), E0=(40.679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03178802983639937, var=5.51550147383885, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 4.78801076022856"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.78801076022856""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.78801076022856 +""", +) + +entry( + index = 4332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.28428e-10,'m^3/(mol*s)'), n=4.26709, w0=(411,'kJ/mol'), E0=(56.1634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10163198000634155, var=10.589948881524867, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 6.779206047786616"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.779206047786616""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.779206047786616 +""", +) + +entry( + index = 4333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C", + kinetics = ArrheniusBM(A=(1.5977e-08,'m^3/(mol*s)'), n=4.17849, w0=(411,'kJ/mol'), E0=(37.8068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1860609169348215, var=7.360557022247298, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C + Total Standard Deviation in ln(k): 5.906405473831809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C +Total Standard Deviation in ln(k): 5.906405473831809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_7R!H->C +Total Standard Deviation in ln(k): 5.906405473831809 +""", +) + +entry( + index = 4334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.97581e-10,'m^3/(mol*s)'), n=4.41435, w0=(411,'kJ/mol'), E0=(31.9088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08609426943157855, var=2.0395361176757882, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C + Total Standard Deviation in ln(k): 3.0793261045237657"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 3.0793261045237657""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_6R!H->C_N-4C-inRing_N-Sp-6C=4C_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 3.0793261045237657 +""", +) + +entry( + index = 4335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.68052,'m^3/(mol*s)'), n=2.00043, w0=(411,'kJ/mol'), E0=(81.3151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0817346442146124, var=11.098028976891474, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C + Total Standard Deviation in ln(k): 6.883878595024484"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 6.883878595024484""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 6.883878595024484 +""", +) + +entry( + index = 4336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.816918,'m^3/(mol*s)'), n=2.08172, w0=(411,'kJ/mol'), E0=(80.3453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08301349143032478, var=11.273218693721956, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.939597766201316"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.939597766201316""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.939597766201316 +""", +) + +entry( + index = 4337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(542.723,'m^3/(mol*s)'), n=1.56387, w0=(411,'kJ/mol'), E0=(113.057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08114347277810506, var=23.16153334322486, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 9.851952454713476"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 9.851952454713476""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 9.851952454713476 +""", +) + +entry( + index = 4338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.82718e-09,'m^3/(mol*s)'), n=4.70495, w0=(411,'kJ/mol'), E0=(46.6548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5434353119060208, var=3.0486931480186996, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.865784499755825"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.865784499755825""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.865784499755825 +""", +) + +entry( + index = 4339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(2.78294e-06,'m^3/(mol*s)'), n=3.96266, w0=(411,'kJ/mol'), E0=(74.7326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4262876569889112, var=10.480666258875793, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 7.561175214234846"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 7.561175214234846""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 7.561175214234846 +""", +) + +entry( + index = 4340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.56366e-11,'m^3/(mol*s)'), n=5.44361, w0=(411,'kJ/mol'), E0=(60.0251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6077472027164987, var=11.941291406908272, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 8.454600377320292"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 8.454600377320292""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 8.454600377320292 +""", +) + +entry( + index = 4341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.7616e-11,'m^3/(mol*s)'), n=5.36247, w0=(411,'kJ/mol'), E0=(69.9109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5456898589519511, var=6.630178781420682, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 6.533099169948893"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 6.533099169948893""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 6.533099169948893 +""", +) + +entry( + index = 4342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(1.00736e-22,'m^3/(mol*s)'), n=8.72903, w0=(411,'kJ/mol'), E0=(21.3821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7114945189879877, var=5.3659009858723525, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 6.43152609802965"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 6.43152609802965""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 6.43152609802965 +""", +) + +entry( + index = 4343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.00759e-08,'m^3/(mol*s)'), n=4.59403, w0=(411,'kJ/mol'), E0=(74.9416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.417133609272018, var=3.551957657739495, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 4.826326034061248"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 4.826326034061248""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 4.826326034061248 +""", +) + +entry( + index = 4344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C", + kinetics = ArrheniusBM(A=(7.51826e-08,'m^3/(mol*s)'), n=4.45212, w0=(411,'kJ/mol'), E0=(70.8432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2578594593996341, var=1.8319744788397516, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C + Total Standard Deviation in ln(k): 3.3613060725481105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 3.3613060725481105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_Sp-9C=8C +Total Standard Deviation in ln(k): 3.3613060725481105 +""", +) + +entry( + index = 4345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C", + kinetics = ArrheniusBM(A=(5.62214e-09,'m^3/(mol*s)'), n=4.73001, w0=(411,'kJ/mol'), E0=(79.033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5900146569614222, var=15.315683602119591, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C + Total Standard Deviation in ln(k): 9.328031184511797"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 9.328031184511797""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_9R!H->C_N-Sp-9C=8C +Total Standard Deviation in ln(k): 9.328031184511797 +""", +) + +entry( + index = 4346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(1.30886e-07,'m^3/(mol*s)'), n=4.47475, w0=(411,'kJ/mol'), E0=(102.661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27628926134306486, var=22.437440776508858, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 10.190258479770606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.190258479770606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 10.190258479770606 +""", +) + +entry( + index = 4347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.83457e-07,'m^3/(mol*s)'), n=3.99383, w0=(411,'kJ/mol'), E0=(1.33959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6406966340585369, var=189.2669217881498, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 29.18979606338891"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 29.18979606338891""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 29.18979606338891 +""", +) + +entry( + index = 4348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.87702e-11,'m^3/(mol*s)'), n=5.2786, w0=(411,'kJ/mol'), E0=(103.347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3553147446556516, var=31.59269274319406, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 12.160840723161577"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 12.160840723161577""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 12.160840723161577 +""", +) + +entry( + index = 4349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.707e-14,'m^3/(mol*s)'), n=6.23391, w0=(411,'kJ/mol'), E0=(95.5291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43985346466160485, var=40.205143726925904, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 13.816688643680886"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.816688643680886""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.816688643680886 +""", +) + +entry( + index = 4350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.36225e-48,'m^3/(mol*s)'), n=15.8802, w0=(411,'kJ/mol'), E0=(-0.857361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9836386319928748, var=77.41475208062953, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 20.110246421442998"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 20.110246421442998""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 20.110246421442998 +""", +) + +entry( + index = 4351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.04614e-08,'m^3/(mol*s)'), n=4.45254, w0=(411,'kJ/mol'), E0=(86.0561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17229811662120476, var=54.95915709820045, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 15.294901769137603"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 15.294901769137603""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 15.294901769137603 +""", +) + +entry( + index = 4352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.75066e-08,'m^3/(mol*s)'), n=4.58373, w0=(411,'kJ/mol'), E0=(148.247,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3181428757560294, var=225.71255169920786, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 30.917958393869725"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 30.917958393869725""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 30.917958393869725 +""", +) + +entry( + index = 4353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.22023e-08,'m^3/(mol*s)'), n=4.44754, w0=(411,'kJ/mol'), E0=(101.687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19988613296425628, var=127.29279964615101, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 23.120471702667153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 23.120471702667153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 23.120471702667153 +""", +) + +entry( + index = 4354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.69076e-09,'m^3/(mol*s)'), n=4.58379, w0=(411,'kJ/mol'), E0=(107.165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.344618540731569, var=241.37220729214653, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 32.011756763034825"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 32.011756763034825""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 32.011756763034825 +""", +) + +entry( + index = 4355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(9.34937,'m^3/(mol*s)'), n=1.664, w0=(411,'kJ/mol'), E0=(73.5301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01925251754879486, var=7.067425409057262, Tref=1000.0, N=61, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 5.377887145000842"""), + rank = 11, + shortDesc = """BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.377887145000842""", + longDesc = +""" +BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.377887145000842 +""", +) + +entry( + index = 4356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing", + kinetics = ArrheniusBM(A=(1.44046e-07,'m^3/(mol*s)'), n=4.4654, w0=(411,'kJ/mol'), E0=(55.6132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20112440607642898, var=65.21880986325893, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing + Total Standard Deviation in ln(k): 16.69521003706207"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing +Total Standard Deviation in ln(k): 16.69521003706207""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_1C-inRing +Total Standard Deviation in ln(k): 16.69521003706207 +""", +) + +entry( + index = 4357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing", + kinetics = ArrheniusBM(A=(0.0109412,'m^3/(mol*s)'), n=2.48489, w0=(411,'kJ/mol'), E0=(65.7117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09880506425913363, var=6.713605441845679, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing + Total Standard Deviation in ln(k): 5.442648029546244"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing +Total Standard Deviation in ln(k): 5.442648029546244""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing +Total Standard Deviation in ln(k): 5.442648029546244 +""", +) + +entry( + index = 4358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.80017e-07,'m^3/(mol*s)'), n=3.81788, w0=(411,'kJ/mol'), E0=(54.3618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23883660420306002, var=7.2833195393173344, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.01039600831238"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.01039600831238""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.01039600831238 +""", +) + +entry( + index = 4359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.33551e-07,'m^3/(mol*s)'), n=3.81276, w0=(411,'kJ/mol'), E0=(52.3544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1898195274946029, var=8.262244856608179, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.239368227598986"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.239368227598986""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.239368227598986 +""", +) + +entry( + index = 4360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S", + kinetics = ArrheniusBM(A=(2.15528e-10,'m^3/(mol*s)'), n=4.51517, w0=(411,'kJ/mol'), E0=(34.5556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2652475337529166, var=2.1140167300873927, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S + Total Standard Deviation in ln(k): 3.5812674562510503"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S +Total Standard Deviation in ln(k): 3.5812674562510503""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S +Total Standard Deviation in ln(k): 3.5812674562510503 +""", +) + +entry( + index = 4361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.36492e-09,'m^3/(mol*s)'), n=4.19186, w0=(411,'kJ/mol'), E0=(38.1676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10456927514097203, var=2.4317682535779426, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.3889463950104957"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.3889463950104957""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.3889463950104957 +""", +) + +entry( + index = 4362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.17712e-10,'m^3/(mol*s)'), n=4.53377, w0=(411,'kJ/mol'), E0=(31.1176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1100584371266631, var=9.488075501230181, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R + Total Standard Deviation in ln(k): 6.451658032630629"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 6.451658032630629""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 6.451658032630629 +""", +) + +entry( + index = 4363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(6.57465e-11,'m^3/(mol*s)'), n=4.61584, w0=(411,'kJ/mol'), E0=(12.0852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(9.40995e-11,'m^3/(mol*s)'), n=4.55683, w0=(411,'kJ/mol'), E0=(39.5618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11155204198684984, var=6.62483028503396, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 5.440218141178182"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.440218141178182""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.440218141178182 +""", +) + +entry( + index = 4365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_8R!H->C", + kinetics = ArrheniusBM(A=(1.68228e-10,'m^3/(mol*s)'), n=4.6342, w0=(411,'kJ/mol'), E0=(33.8985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3061195873056474, var=2.528201052424548, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_8R!H->C + Total Standard Deviation in ln(k): 3.9567371695956908"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 3.9567371695956908""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 3.9567371695956908 +""", +) + +entry( + index = 4366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.45e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(43.0952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.661338147753363e-16, var=9.664532165088932e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_N-8R!H->C + Total Standard Deviation in ln(k): 6.399656770037157e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 6.399656770037157e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 6.399656770037157e-14 +""", +) + +entry( + index = 4367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.19784e-11,'m^3/(mol*s)'), n=4.78295, w0=(411,'kJ/mol'), E0=(31.3637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4023390443337746, var=2.7922037055106186, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 4.360792064187138"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 4.360792064187138""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 4.360792064187138 +""", +) + +entry( + index = 4368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(2.64524e-10,'m^3/(mol*s)'), n=4.36281, w0=(411,'kJ/mol'), E0=(30.7779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38939698799676153, var=3.005568298805536, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 4.453908377910516"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 4.453908377910516""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 4.453908377910516 +""", +) + +entry( + index = 4369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.83385e-11,'m^3/(mol*s)'), n=4.45716, w0=(411,'kJ/mol'), E0=(28.0014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18837246037920521, var=13.630240870303632, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 7.8746103650024315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.8746103650024315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.8746103650024315 +""", +) + +entry( + index = 4370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(5.16339e-10,'m^3/(mol*s)'), n=4.50073, w0=(411,'kJ/mol'), E0=(38.2802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3954594523717255, var=4.591469198739592, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 5.289305668340469"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 5.289305668340469""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 5.289305668340469 +""", +) + +entry( + index = 4371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.3489e-10,'m^3/(mol*s)'), n=4.50456, w0=(411,'kJ/mol'), E0=(37.2344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2624728119262966, var=21.994403582446804, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 10.061324367077267"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 10.061324367077267""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_9R!H->S_N-Sp-8R!H=7R!H_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 10.061324367077267 +""", +) + +entry( + index = 4372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(5.28658e-06,'m^3/(mol*s)'), n=3.41602, w0=(411,'kJ/mol'), E0=(63.1887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14901219625241977, var=12.43996508143457, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S + Total Standard Deviation in ln(k): 7.445170214748945"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S +Total Standard Deviation in ln(k): 7.445170214748945""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S +Total Standard Deviation in ln(k): 7.445170214748945 +""", +) + +entry( + index = 4373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.31432e-06,'m^3/(mol*s)'), n=3.25794, w0=(411,'kJ/mol'), E0=(65.2702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06717352975308487, var=14.981626750873314, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 7.928326640207203"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.928326640207203""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.928326640207203 +""", +) + +entry( + index = 4374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.000109956,'m^3/(mol*s)'), n=2.91181, w0=(411,'kJ/mol'), E0=(65.456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07761521323187022, var=18.7324019593621, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 8.871695951372164"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 8.871695951372164""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 8.871695951372164 +""", +) + +entry( + index = 4375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(2.60745e-10,'m^3/(mol*s)'), n=4.42955, w0=(411,'kJ/mol'), E0=(74.093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15142428450963663, var=23.798093525210714, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 10.16022022868857"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 10.16022022868857""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 10.16022022868857 +""", +) + +entry( + index = 4376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(7.34891e-11,'m^3/(mol*s)'), n=4.51314, w0=(411,'kJ/mol'), E0=(71.6902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10510370416638566, var=76.89540797673666, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_Sp-8C=7R!H + Total Standard Deviation in ln(k): 17.843606922198347"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_Sp-8C=7R!H +Total Standard Deviation in ln(k): 17.843606922198347""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_Sp-8C=7R!H +Total Standard Deviation in ln(k): 17.843606922198347 +""", +) + +entry( + index = 4377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(2.94021e-10,'m^3/(mol*s)'), n=4.4886, w0=(411,'kJ/mol'), E0=(75.2731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22468950124108436, var=80.05275612511642, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 18.50135342944899"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 18.50135342944899""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Ext-9BrCClFINOPSi-R_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 18.50135342944899 +""", +) + +entry( + index = 4378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Sp-8C#7R!H", + kinetics = ArrheniusBM(A=(1.17642e-09,'m^3/(mol*s)'), n=4.54768, w0=(411,'kJ/mol'), E0=(37.0622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31044992997276677, var=1.199542738919201, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Sp-8C#7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Sp-8C#7R!H + Total Standard Deviation in ln(k): 2.975683748628712"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Sp-8C#7R!H +Total Standard Deviation in ln(k): 2.975683748628712""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_Sp-8C#7R!H +Total Standard Deviation in ln(k): 2.975683748628712 +""", +) + +entry( + index = 4379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H", + kinetics = ArrheniusBM(A=(1.3968e-06,'m^3/(mol*s)'), n=3.44312, w0=(411,'kJ/mol'), E0=(45.0287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21128845461376503, var=8.384781760464659, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H + Total Standard Deviation in ln(k): 6.33588416172749"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H +Total Standard Deviation in ln(k): 6.33588416172749""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H +Total Standard Deviation in ln(k): 6.33588416172749 +""", +) + +entry( + index = 4380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.01199e-09,'m^3/(mol*s)'), n=4.25901, w0=(411,'kJ/mol'), E0=(39.9743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016502849583417415, var=38.02734747410134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 12.403927479076474"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 12.403927479076474""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 12.403927479076474 +""", +) + +entry( + index = 4381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.57116e-08,'m^3/(mol*s)'), n=4.14508, w0=(411,'kJ/mol'), E0=(72.3619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05506012461566883, var=8.856158203248162, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 6.104292889243574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.104292889243574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.104292889243574 +""", +) + +entry( + index = 4382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(1.2682e-28,'m^3/(mol*s)'), n=9.89921, w0=(411,'kJ/mol'), E0=(-0.252468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7398477923715758, var=32.084525065552526, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R + Total Standard Deviation in ln(k): 13.214375753174547"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 13.214375753174547""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R +Total Standard Deviation in ln(k): 13.214375753174547 +""", +) + +entry( + index = 4383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.00734e-09,'m^3/(mol*s)'), n=4.36996, w0=(411,'kJ/mol'), E0=(32.9337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.046325283614357345, var=16.260185938891766, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 8.200273046480287"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.200273046480287""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 8.200273046480287 +""", +) + +entry( + index = 4384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(9.9997e-11,'m^3/(mol*s)'), n=4.88566, w0=(411,'kJ/mol'), E0=(75.2856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5629894452607627, var=119.13830820236875, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 23.29632918915679"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 23.29632918915679""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_Ext-9BrCClFINOPSi-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 23.29632918915679 +""", +) + +entry( + index = 4385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C", + kinetics = ArrheniusBM(A=(4.04485e-08,'m^3/(mol*s)'), n=4.18246, w0=(411,'kJ/mol'), E0=(46.55,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3426295096067238, var=0.8159016861933446, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C + Total Standard Deviation in ln(k): 2.6717007592967157"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C +Total Standard Deviation in ln(k): 2.6717007592967157""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C +Total Standard Deviation in ln(k): 2.6717007592967157 +""", +) + +entry( + index = 4386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(7.65193e-10,'m^3/(mol*s)'), n=4.65275, w0=(411,'kJ/mol'), E0=(44.9088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3719214028449021, var=5.941346180132524, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 5.820992935236811"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 5.820992935236811""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 5.820992935236811 +""", +) + +entry( + index = 4387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(1.57988e-09,'m^3/(mol*s)'), n=4.59766, w0=(411,'kJ/mol'), E0=(41.1774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40436107418027273, var=0.39818013431568827, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 2.281000827502841"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 2.281000827502841""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 2.281000827502841 +""", +) + +entry( + index = 4388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(5.48824e-10,'m^3/(mol*s)'), n=4.69353, w0=(411,'kJ/mol'), E0=(38.8241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.518628472991156, var=0.9779917720691188, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 3.2856386281684884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 3.2856386281684884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 3.2856386281684884 +""", +) + +entry( + index = 4389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(3.90561e-09,'m^3/(mol*s)'), n=4.52073, w0=(411,'kJ/mol'), E0=(43.3198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.304815284224724, var=1.5853712378461686, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 3.290060076413067"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 3.290060076413067""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_8R!H->C_N-Sp-8C=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 3.290060076413067 +""", +) + +entry( + index = 4390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.42859e-10,'m^3/(mol*s)'), n=4.625, w0=(411,'kJ/mol'), E0=(73.7004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3024080061924017, var=83.5819405474592, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_N-8R!H->C + Total Standard Deviation in ln(k): 19.0877405427203"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 19.0877405427203""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_Ext-1C-R_N-9R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 19.0877405427203 +""", +) + +entry( + index = 4391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(5.8015e-08,'m^3/(mol*s)'), n=4.19419, w0=(411,'kJ/mol'), E0=(57.2458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5436951107174115, var=1.3958120030496826, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 3.734552109112132"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 3.734552109112132""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 3.734552109112132 +""", +) + +entry( + index = 4392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H", + kinetics = ArrheniusBM(A=(1.4536e-09,'m^3/(mol*s)'), n=4.7455, w0=(411,'kJ/mol'), E0=(51.1968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5643363829796181, var=2.568338417060823e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H + Total Standard Deviation in ln(k): 1.4280903626528445"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H +Total Standard Deviation in ln(k): 1.4280903626528445""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_Sp-8C#7R!H +Total Standard Deviation in ln(k): 1.4280903626528445 +""", +) + +entry( + index = 4393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H", + kinetics = ArrheniusBM(A=(1.96255e-09,'m^3/(mol*s)'), n=4.56928, w0=(411,'kJ/mol'), E0=(54.136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6117782520677513, var=1.822892979072029, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H + Total Standard Deviation in ln(k): 4.243815410146071"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H +Total Standard Deviation in ln(k): 4.243815410146071""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H +Total Standard Deviation in ln(k): 4.243815410146071 +""", +) + +entry( + index = 4394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.35992e-10,'m^3/(mol*s)'), n=4.94731, w0=(411,'kJ/mol'), E0=(50.0797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7545715421559867, var=7.618561319854937, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 7.429326328889746"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 7.429326328889746""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 7.429326328889746 +""", +) + +entry( + index = 4395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.79591e-10,'m^3/(mol*s)'), n=4.82096, w0=(411,'kJ/mol'), E0=(52.2765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5528409684470227, var=0.2508909195941944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 2.3931996674684832"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.3931996674684832""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.3931996674684832 +""", +) + +entry( + index = 4396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.3811e-10,'m^3/(mol*s)'), n=4.71721, w0=(411,'kJ/mol'), E0=(68.874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44984410216118226, var=2.327301060611913, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 4.188584016024283"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 4.188584016024283""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 4.188584016024283 +""", +) + +entry( + index = 4397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00365476,'m^3/(mol*s)'), n=2.74183, w0=(411,'kJ/mol'), E0=(56.3312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028573507324145687, var=4.163907377732311, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.162585878109928"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.162585878109928""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.162585878109928 +""", +) + +entry( + index = 4398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00824301,'m^3/(mol*s)'), n=2.63819, w0=(411,'kJ/mol'), E0=(55.9599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22286051205070045, var=12.410855608313314, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 7.622441116277247"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.622441116277247""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 7.622441116277247 +""", +) + +entry( + index = 4399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_7R!H->S", + kinetics = ArrheniusBM(A=(2.90681e-09,'m^3/(mol*s)'), n=4.31937, w0=(411,'kJ/mol'), E0=(34.5331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0009217321804529296, var=56.565724519214946, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_7R!H->S + Total Standard Deviation in ln(k): 15.079966213294567"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 15.079966213294567""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 15.079966213294567 +""", +) + +entry( + index = 4400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(2.00803e-07,'m^3/(mol*s)'), n=4.12757, w0=(411,'kJ/mol'), E0=(43.6785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20651178232065126, var=10.786232437529792, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-7R!H->S + Total Standard Deviation in ln(k): 7.102904973798061"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 7.102904973798061""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 7.102904973798061 +""", +) + +entry( + index = 4401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S", + kinetics = ArrheniusBM(A=(3.28063e-10,'m^3/(mol*s)'), n=4.60463, w0=(411,'kJ/mol'), E0=(33.5394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4671241316580714, var=0.007064999268896346, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S + Total Standard Deviation in ln(k): 1.3421838228389045"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 1.3421838228389045""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_7R!H->S +Total Standard Deviation in ln(k): 1.3421838228389045 +""", +) + +entry( + index = 4402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S", + kinetics = ArrheniusBM(A=(2.4036e-08,'m^3/(mol*s)'), n=4.38765, w0=(411,'kJ/mol'), E0=(44.1064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19388307533059165, var=1.5771403988269133, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S + Total Standard Deviation in ln(k): 3.0047749279763685"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 3.0047749279763685""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_Ext-1C-R_N-7R!H->S +Total Standard Deviation in ln(k): 3.0047749279763685 +""", +) + +entry( + index = 4403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->C", + kinetics = ArrheniusBM(A=(8.56746e-09,'m^3/(mol*s)'), n=4.62861, w0=(411,'kJ/mol'), E0=(53.6575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4827687898565676, var=0.21835467880121498, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->C + Total Standard Deviation in ln(k): 2.149768269025342"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->C +Total Standard Deviation in ln(k): 2.149768269025342""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_7R!H->C +Total Standard Deviation in ln(k): 2.149768269025342 +""", +) + +entry( + index = 4404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.77533e-11,'m^3/(mol*s)'), n=4.86447, w0=(411,'kJ/mol'), E0=(45.2198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7616805504943277, var=0.7568548828332164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->C + Total Standard Deviation in ln(k): 3.657837762340788"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 3.657837762340788""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H=1C_N-1C-inRing_N-7R!H->C +Total Standard Deviation in ln(k): 3.657837762340788 +""", +) + +entry( + index = 4405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.03714,'m^3/(mol*s)'), n=1.54917, w0=(411,'kJ/mol'), E0=(67.5231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.43876571726728053, var=67.91911797915758, Tref=1000.0, N=86, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R',), comment="""BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R + Total Standard Deviation in ln(k): 17.624060843505468"""), + rank = 11, + shortDesc = """BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 17.624060843505468""", + longDesc = +""" +BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 17.624060843505468 +""", +) + +entry( + index = 4406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(0.051199,'m^3/(mol*s)'), n=1.92251, w0=(411,'kJ/mol'), E0=(76.0167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3766688480844274, var=183.50080001060564, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 28.103040093586266"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 28.103040093586266""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 28.103040093586266 +""", +) + +entry( + index = 4407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S", + kinetics = ArrheniusBM(A=(2.37956e-06,'m^3/(mol*s)'), n=2.44142, w0=(411,'kJ/mol'), E0=(100.527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.353015637484476, var=364.3010440575084, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S + Total Standard Deviation in ln(k): 56.73863432222266"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S +Total Standard Deviation in ln(k): 56.73863432222266""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S +Total Standard Deviation in ln(k): 56.73863432222266 +""", +) + +entry( + index = 4408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.82871e-06,'m^3/(mol*s)'), n=2.30769, w0=(411,'kJ/mol'), E0=(102.945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.598345761205584, var=403.23839480297096, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 61.86056128355554"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 61.86056128355554""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 61.86056128355554 +""", +) + +entry( + index = 4409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(577.701,'m^3/(mol*s)'), n=1.24177, w0=(411,'kJ/mol'), E0=(101.874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3320891747245955, var=68.5744865246747, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 17.435548654653932"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 17.435548654653932""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 17.435548654653932 +""", +) + +entry( + index = 4410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.15636e-08,'m^3/(mol*s)'), n=4.18791, w0=(411,'kJ/mol'), E0=(39.7219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0863961591501881, var=59.55653246270915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 15.688193523305378"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 15.688193523305378""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 15.688193523305378 +""", +) + +entry( + index = 4411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.46667e-08,'m^3/(mol*s)'), n=4.31911, w0=(411,'kJ/mol'), E0=(107.949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008372614188263449, var=196.90518972265795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 28.152062632533493"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 28.152062632533493""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 28.152062632533493 +""", +) + +entry( + index = 4412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.36245e-15,'m^3/(mol*s)'), n=4.52858, w0=(411,'kJ/mol'), E0=(87.565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=19.099323544543886, var=925.1368369243521, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 108.96439682720062"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 108.96439682720062""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 108.96439682720062 +""", +) + +entry( + index = 4413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.64266e-09,'m^3/(mol*s)'), n=4.31917, w0=(411,'kJ/mol'), E0=(74.5101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008294652765821637, var=151.096272011718, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 24.663289698531415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 24.663289698531415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 24.663289698531415 +""", +) + +entry( + index = 4414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S", + kinetics = ArrheniusBM(A=(3.61355e-07,'m^3/(mol*s)'), n=3.79664, w0=(411,'kJ/mol'), E0=(43.3596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5970279661822504, var=4.391900754826565, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S + Total Standard Deviation in ln(k): 5.7013659538192485"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S +Total Standard Deviation in ln(k): 5.7013659538192485""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S +Total Standard Deviation in ln(k): 5.7013659538192485 +""", +) + +entry( + index = 4415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_Ext-6CO-R", + kinetics = ArrheniusBM(A=(1.36425e-08,'m^3/(mol*s)'), n=4.44033, w0=(411,'kJ/mol'), E0=(36.4081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09489642541419961, var=1.791089526298778, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_Ext-6CO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_Ext-6CO-R + Total Standard Deviation in ln(k): 2.921402117547775"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_Ext-6CO-R +Total Standard Deviation in ln(k): 2.921402117547775""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_Ext-6CO-R +Total Standard Deviation in ln(k): 2.921402117547775 +""", +) + +entry( + index = 4416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C", + kinetics = ArrheniusBM(A=(8.85172e-07,'m^3/(mol*s)'), n=3.78583, w0=(411,'kJ/mol'), E0=(46.01,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01284313166090099, var=6.134075682947491, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C + Total Standard Deviation in ln(k): 4.9974098131205045"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C +Total Standard Deviation in ln(k): 4.9974098131205045""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C +Total Standard Deviation in ln(k): 4.9974098131205045 +""", +) + +entry( + index = 4417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.76504e-16,'m^3/(mol*s)'), n=6.54652, w0=(411,'kJ/mol'), E0=(19.4075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21907967727557157, var=6.66488250991631, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.72596247938742"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.72596247938742""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.72596247938742 +""", +) + +entry( + index = 4418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.87643e-13,'m^3/(mol*s)'), n=5.71381, w0=(411,'kJ/mol'), E0=(34.5406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2108136758352534, var=5.493809843744926, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.228556617793952"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.228556617793952""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.228556617793952 +""", +) + +entry( + index = 4419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(6.66275e-22,'m^3/(mol*s)'), n=8.15085, w0=(411,'kJ/mol'), E0=(6.2519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10819156987604013, var=5.429612689197817, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 4.943177434896621"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 4.943177434896621""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 4.943177434896621 +""", +) + +entry( + index = 4420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.07972e-08,'m^3/(mol*s)'), n=4.32811, w0=(411,'kJ/mol'), E0=(43.914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013398046901128429, var=1.899260355633341, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 2.7964621214218877"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.7964621214218877""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 2.7964621214218877 +""", +) + +entry( + index = 4421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(3.99894e-08,'m^3/(mol*s)'), n=4.18749, w0=(411,'kJ/mol'), E0=(42.2711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1245367480811604, var=1.0996407210947876, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 2.415146891562893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 2.415146891562893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 2.415146891562893 +""", +) + +entry( + index = 4422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(2.99436e-09,'m^3/(mol*s)'), n=4.46539, w0=(411,'kJ/mol'), E0=(45.582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15011087964102798, var=8.801546223035025, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 6.324690756139349"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 6.324690756139349""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 6.324690756139349 +""", +) + +entry( + index = 4423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(6.96519e-08,'m^3/(mol*s)'), n=4.21013, w0=(411,'kJ/mol'), E0=(69.7402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10802712167687412, var=33.414512978970684, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.859853740433016"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.859853740433016""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.859853740433016 +""", +) + +entry( + index = 4424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.91458e-10,'m^3/(mol*s)'), n=4.67952, w0=(411,'kJ/mol'), E0=(15.0397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33797114326006616, var=66.57782522741017, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 17.206856883912383"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 17.206856883912383""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_6CO->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 17.206856883912383 +""", +) + +entry( + index = 4425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_N-6CO->C", + kinetics = ArrheniusBM(A=(1.94e-10,'m^3/(mol*s)'), n=4.68, w0=(411,'kJ/mol'), E0=(34.8477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_N-6CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_N-6CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_N-6CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_Sp-6R!H=1C_N-6R!H->S_N-6CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(1.14019e-07,'m^3/(mol*s)'), n=3.83204, w0=(411,'kJ/mol'), E0=(32.5651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07428595005487623, var=3.3823420594301967, Tref=1000.0, N=61, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C',), comment="""BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 3.873585419057006"""), + rank = 11, + shortDesc = """BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.873585419057006""", + longDesc = +""" +BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.873585419057006 +""", +) + +entry( + index = 4427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.29857e-09,'m^3/(mol*s)'), n=4.12762, w0=(411,'kJ/mol'), E0=(26.4685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07590569618555783, var=3.6474151585624255, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 4.019402405944776"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 4.019402405944776""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 4.019402405944776 +""", +) + +entry( + index = 4428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_1C-inRing", + kinetics = ArrheniusBM(A=(7.67504e-08,'m^3/(mol*s)'), n=4.20078, w0=(411,'kJ/mol'), E0=(27.3389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23942448363799274, var=50.538994233467285, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_1C-inRing + Total Standard Deviation in ln(k): 14.85338768438738"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 14.85338768438738""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 14.85338768438738 +""", +) + +entry( + index = 4429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(8.72443e-11,'m^3/(mol*s)'), n=4.69429, w0=(411,'kJ/mol'), E0=(19.9785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012688904448598999, var=3.1840520931787313, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 3.6091133777267186"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 3.6091133777267186""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 3.6091133777267186 +""", +) + +entry( + index = 4430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.15255e-10,'m^3/(mol*s)'), n=4.53041, w0=(411,'kJ/mol'), E0=(22.6689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005667465908295629, var=3.6853850848931744, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.8628013231110794"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.8628013231110794""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.8628013231110794 +""", +) + +entry( + index = 4431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(8.91009e-13,'m^3/(mol*s)'), n=5.20819, w0=(411,'kJ/mol'), E0=(17.1302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07283830052053819, var=0.29132132828291757, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.2650503429507294"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.2650503429507294""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.2650503429507294 +""", +) + +entry( + index = 4432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S", + kinetics = ArrheniusBM(A=(4.12367e-10,'m^3/(mol*s)'), n=4.35734, w0=(411,'kJ/mol'), E0=(20.2854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003841835973431164, var=0.02139715989033845, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S + Total Standard Deviation in ln(k): 0.30290085187646426"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S +Total Standard Deviation in ln(k): 0.30290085187646426""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S +Total Standard Deviation in ln(k): 0.30290085187646426 +""", +) + +entry( + index = 4433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.98122e-10,'m^3/(mol*s)'), n=4.19254, w0=(411,'kJ/mol'), E0=(14.0928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.035476059555628506, var=0.09650262860070827, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 0.7119042181590117"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 0.7119042181590117""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 0.7119042181590117 +""", +) + +entry( + index = 4434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.90241e-11,'m^3/(mol*s)'), n=4.63834, w0=(411,'kJ/mol'), E0=(24.3341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12660218669011591, var=1.6436846108145613, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.8882918906643162"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.8882918906643162""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.8882918906643162 +""", +) + +entry( + index = 4435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(5.28254e-11,'m^3/(mol*s)'), n=4.76623, w0=(411,'kJ/mol'), E0=(18.7779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029172328732837267, var=5.1486978275798485, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.622189995592159"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.622189995592159""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.622189995592159 +""", +) + +entry( + index = 4436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S", + kinetics = ArrheniusBM(A=(3.35672e-10,'m^3/(mol*s)'), n=4.52633, w0=(411,'kJ/mol'), E0=(8.87567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030522186552123243, var=0.9011474579344817, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S + Total Standard Deviation in ln(k): 1.9797596001513758"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S +Total Standard Deviation in ln(k): 1.9797596001513758""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S +Total Standard Deviation in ln(k): 1.9797596001513758 +""", +) + +entry( + index = 4437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.76719e-09,'m^3/(mol*s)'), n=4.23017, w0=(411,'kJ/mol'), E0=(-3.205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027928362600356266, var=0.886889022308164, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 1.9581267242120513"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 1.9581267242120513""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 1.9581267242120513 +""", +) + +entry( + index = 4438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(6.10583e-08,'m^3/(mol*s)'), n=3.8966, w0=(411,'kJ/mol'), E0=(10.5591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027689631129562707, var=0.8710519804392575, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 1.9405945043832833"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 1.9405945043832833""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 1.9405945043832833 +""", +) + +entry( + index = 4439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(2.03313e-07,'m^3/(mol*s)'), n=3.78351, w0=(411,'kJ/mol'), E0=(11.5258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_Sp-8C=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_Sp-8C=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_Sp-8C=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_Sp-8C=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(3.34606e-08,'m^3/(mol*s)'), n=3.95314, w0=(411,'kJ/mol'), E0=(10.0758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030150614746103362, var=2.007531583864909, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C=6R!H + Total Standard Deviation in ln(k): 2.9162120752796925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 2.9162120752796925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_8R!H->C_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 2.9162120752796925 +""", +) + +entry( + index = 4441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.77762e-08,'m^3/(mol*s)'), n=3.79858, w0=(411,'kJ/mol'), E0=(20.3998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.046773743318924886, var=1.6037820798562985, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.65632885461864"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.65632885461864""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.65632885461864 +""", +) + +entry( + index = 4442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C", + kinetics = ArrheniusBM(A=(2.23371e-12,'m^3/(mol*s)'), n=5.21876, w0=(411,'kJ/mol'), E0=(10.2312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04838610189225248, var=1.9222757048958652, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C + Total Standard Deviation in ln(k): 2.9010612774915114"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C +Total Standard Deviation in ln(k): 2.9010612774915114""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C +Total Standard Deviation in ln(k): 2.9010612774915114 +""", +) + +entry( + index = 4443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(1.9232e-09,'m^3/(mol*s)'), n=4.36958, w0=(411,'kJ/mol'), E0=(26.6156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021367002515923158, var=3.6545632003721638, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_Sp-8C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_Sp-8C=6R!H + Total Standard Deviation in ln(k): 3.886120318797167"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_Sp-8C=6R!H +Total Standard Deviation in ln(k): 3.886120318797167""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_Sp-8C=6R!H +Total Standard Deviation in ln(k): 3.886120318797167 +""", +) + +entry( + index = 4444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_N-Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(6.27428e-10,'m^3/(mol*s)'), n=4.52549, w0=(411,'kJ/mol'), E0=(20.754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07019071032377347, var=7.117516676823158, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_N-Sp-8C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_N-Sp-8C=6R!H + Total Standard Deviation in ln(k): 5.52472600723709"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 5.52472600723709""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_8R!H->C_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 5.52472600723709 +""", +) + +entry( + index = 4445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.20266e-09,'m^3/(mol*s)'), n=4.07537, w0=(411,'kJ/mol'), E0=(33.3214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09721854311247506, var=0.007311788501127397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_N-8R!H->C + Total Standard Deviation in ln(k): 0.4156905811979179"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 0.4156905811979179""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_7R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 0.4156905811979179 +""", +) + +entry( + index = 4446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S", + kinetics = ArrheniusBM(A=(3.6491e-11,'m^3/(mol*s)'), n=4.81766, w0=(411,'kJ/mol'), E0=(21.2153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.047636972540386374, var=8.013825531419583, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S + Total Standard Deviation in ln(k): 5.7948354777511435"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S +Total Standard Deviation in ln(k): 5.7948354777511435""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S +Total Standard Deviation in ln(k): 5.7948354777511435 +""", +) + +entry( + index = 4447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C", + kinetics = ArrheniusBM(A=(1.69014e-09,'m^3/(mol*s)'), n=4.35006, w0=(411,'kJ/mol'), E0=(23.7563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0044252601947631035, var=5.628033863925397, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C + Total Standard Deviation in ln(k): 4.7670475015908895"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C +Total Standard Deviation in ln(k): 4.7670475015908895""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C +Total Standard Deviation in ln(k): 4.7670475015908895 +""", +) + +entry( + index = 4448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(4.76366e-10,'m^3/(mol*s)'), n=4.51018, w0=(411,'kJ/mol'), E0=(6.23556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05005034113884947, var=7.473693223256485, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 5.60631066744906"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.60631066744906""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.60631066744906 +""", +) + +entry( + index = 4449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.01429e-09,'m^3/(mol*s)'), n=4.31585, w0=(411,'kJ/mol'), E0=(3.05865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029915731124202954, var=18.45108043643123, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R + Total Standard Deviation in ln(k): 8.686448717142584"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.686448717142584""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.686448717142584 +""", +) + +entry( + index = 4450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(1.32294e-09,'m^3/(mol*s)'), n=4.24852, w0=(411,'kJ/mol'), E0=(22.1411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11705264944466184, var=65.59651408391699, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_Sp-8C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_Sp-8C=6R!H + Total Standard Deviation in ln(k): 16.530787305716352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_Sp-8C=6R!H +Total Standard Deviation in ln(k): 16.530787305716352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_Sp-8C=6R!H +Total Standard Deviation in ln(k): 16.530787305716352 +""", +) + +entry( + index = 4451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_N-Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(6.95398e-09,'m^3/(mol*s)'), n=4.11059, w0=(411,'kJ/mol'), E0=(11.3083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08451354061773225, var=51.45597585639565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_N-Sp-8C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_N-Sp-8C=6R!H + Total Standard Deviation in ln(k): 14.592875793245735"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 14.592875793245735""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Ext-1C-R_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 14.592875793245735 +""", +) + +entry( + index = 4452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(1.51215e-08,'m^3/(mol*s)'), n=4.10533, w0=(411,'kJ/mol'), E0=(24.2995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06663050023500533, var=13.650669158623963, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Sp-8C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Sp-8C=6R!H + Total Standard Deviation in ln(k): 7.57427031561516"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Sp-8C=6R!H +Total Standard Deviation in ln(k): 7.57427031561516""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_Sp-8C=6R!H +Total Standard Deviation in ln(k): 7.57427031561516 +""", +) + +entry( + index = 4453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_N-Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(7.98746e-10,'m^3/(mol*s)'), n=4.62104, w0=(411,'kJ/mol'), E0=(19.882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.042888359188976176, var=5.314654378045603, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_N-Sp-8C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_N-Sp-8C=6R!H + Total Standard Deviation in ln(k): 4.729382557640717"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 4.729382557640717""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Ext-7C-R_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 4.729382557640717 +""", +) + +entry( + index = 4454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(1.92017e-15,'m^3/(mol*s)'), n=5.97586, w0=(411,'kJ/mol'), E0=(8.92122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.043015922164814174, var=11.987378439470762, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H + Total Standard Deviation in ln(k): 7.049033108247105"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H +Total Standard Deviation in ln(k): 7.049033108247105""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H +Total Standard Deviation in ln(k): 7.049033108247105 +""", +) + +entry( + index = 4455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.09199e-09,'m^3/(mol*s)'), n=3.99438, w0=(411,'kJ/mol'), E0=(28.8574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15684803836987907, var=56.43232043540952, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H_Ext-1C-R + Total Standard Deviation in ln(k): 15.453950861017862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 15.453950861017862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_Sp-8C=6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 15.453950861017862 +""", +) + +entry( + index = 4456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H", + kinetics = ArrheniusBM(A=(1.85071e-08,'m^3/(mol*s)'), n=4.12459, w0=(411,'kJ/mol'), E0=(26.3448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015190432669941498, var=0.7225843226879399, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H + Total Standard Deviation in ln(k): 1.742291167169582"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 1.742291167169582""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H +Total Standard Deviation in ln(k): 1.742291167169582 +""", +) + +entry( + index = 4457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.46067e-09,'m^3/(mol*s)'), n=4.28305, w0=(411,'kJ/mol'), E0=(20.3114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025660795462668185, var=2.6031127722546725, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H_Ext-1C-R + Total Standard Deviation in ln(k): 3.2989469936821583"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 3.2989469936821583""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_8R!H->C_N-Sp-8C=6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 3.2989469936821583 +""", +) + +entry( + index = 4458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.30058e-17,'m^3/(mol*s)'), n=6.51058, w0=(411,'kJ/mol'), E0=(11.0013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01854259260430766, var=27.956102290029914, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C + Total Standard Deviation in ln(k): 10.646331557339975"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 10.646331557339975""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C +Total Standard Deviation in ln(k): 10.646331557339975 +""", +) + +entry( + index = 4459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.12755e-08,'m^3/(mol*s)'), n=3.88045, w0=(411,'kJ/mol'), E0=(36.6094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.586801107674096, var=132.0060540663799, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 24.507555306337203"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 24.507555306337203""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-6R!H-R_N-6R!H-inRing_N-7R!H->S_N-8R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 24.507555306337203 +""", +) + +entry( + index = 4460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.37554e-07,'m^3/(mol*s)'), n=3.61559, w0=(411,'kJ/mol'), E0=(22.8758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35273271001969836, var=1.7810519553154265, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.561703508369107"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.561703508369107""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.561703508369107 +""", +) + +entry( + index = 4461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_6R!H->S", + kinetics = ArrheniusBM(A=(8.9432e-09,'m^3/(mol*s)'), n=4.05475, w0=(411,'kJ/mol'), E0=(17.4481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2238841291440056, var=7.731800398419711, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_6R!H->S + Total Standard Deviation in ln(k): 6.136912378659698"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 6.136912378659698""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 6.136912378659698 +""", +) + +entry( + index = 4462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(1.82595e-07,'m^3/(mol*s)'), n=3.86294, w0=(411,'kJ/mol'), E0=(22.3864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4225802552234257, var=0.9282107138244043, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-6R!H->S + Total Standard Deviation in ln(k): 2.9931952392269574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 2.9931952392269574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 2.9931952392269574 +""", +) + +entry( + index = 4463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_6R!H->S", + kinetics = ArrheniusBM(A=(8.44e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(24.2672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7208456881688792e-15, var=4.459590934585738e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_6R!H->S + Total Standard Deviation in ln(k): 4.6659214173630005e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_6R!H->S +Total Standard Deviation in ln(k): 4.6659214173630005e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_6R!H->S +Total Standard Deviation in ln(k): 4.6659214173630005e-14 +""", +) + +entry( + index = 4464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_N-6R!H->S", + kinetics = ArrheniusBM(A=(1.83004e-08,'m^3/(mol*s)'), n=4.12303, w0=(411,'kJ/mol'), E0=(29.2451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19635727464197716, var=2.5348518726459877, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_N-6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_N-6R!H->S + Total Standard Deviation in ln(k): 3.685142435826698"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_N-6R!H->S +Total Standard Deviation in ln(k): 3.685142435826698""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-1C-inRing_N-6R!H->S +Total Standard Deviation in ln(k): 3.685142435826698 +""", +) + +entry( + index = 4465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.37057e-10,'m^3/(mol*s)'), n=4.52528, w0=(411,'kJ/mol'), E0=(39.7303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13292675057499526, var=3.7832978489439966, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.233337147843217"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.233337147843217""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.233337147843217 +""", +) + +entry( + index = 4466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.16175e-11,'m^3/(mol*s)'), n=5.10541, w0=(411,'kJ/mol'), E0=(32.0068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2059070835871731, var=1.7568599171879142, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C + Total Standard Deviation in ln(k): 3.174562514244663"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 3.174562514244663""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 3.174562514244663 +""", +) + +entry( + index = 4467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_Sp-7C#6R!H", + kinetics = ArrheniusBM(A=(2.99242e-09,'m^3/(mol*s)'), n=4.48087, w0=(411,'kJ/mol'), E0=(32.9598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11544746823527702, var=0.10294679047417847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_Sp-7C#6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_Sp-7C#6R!H + Total Standard Deviation in ln(k): 0.9332947257744653"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_Sp-7C#6R!H +Total Standard Deviation in ln(k): 0.9332947257744653""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_Sp-7C#6R!H +Total Standard Deviation in ln(k): 0.9332947257744653 +""", +) + +entry( + index = 4468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H", + kinetics = ArrheniusBM(A=(1.39678e-10,'m^3/(mol*s)'), n=4.76286, w0=(411,'kJ/mol'), E0=(37.2663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19261816720252062, var=1.6820419953298207, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H + Total Standard Deviation in ln(k): 3.0839775692798366"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H +Total Standard Deviation in ln(k): 3.0839775692798366""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H +Total Standard Deviation in ln(k): 3.0839775692798366 +""", +) + +entry( + index = 4469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.83787e-10,'m^3/(mol*s)'), n=4.68268, w0=(411,'kJ/mol'), E0=(38.5189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24047357342264164, var=9.754641749003403, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_6R!H-inRing + Total Standard Deviation in ln(k): 6.865478122726354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 6.865478122726354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 6.865478122726354 +""", +) + +entry( + index = 4470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(5.09091e-10,'m^3/(mol*s)'), n=4.55633, w0=(411,'kJ/mol'), E0=(38.5201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11911940183322746, var=0.011923591006972855, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 0.5182024208139254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.5182024208139254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_7R!H->C_N-Sp-7C#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.5182024208139254 +""", +) + +entry( + index = 4471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.73291e-10,'m^3/(mol*s)'), n=4.45258, w0=(411,'kJ/mol'), E0=(48.2647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05930603382630757, var=6.974670422863685, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 5.443435551399071"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.443435551399071""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.443435551399071 +""", +) + +entry( + index = 4472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_6R!H->C", + kinetics = ArrheniusBM(A=(5.44945e-09,'m^3/(mol*s)'), n=4.36399, w0=(411,'kJ/mol'), E0=(33.913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029617069266187575, var=0.0006353833257941631, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_6R!H->C + Total Standard Deviation in ln(k): 0.12494772529991843"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 0.12494772529991843""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 0.12494772529991843 +""", +) + +entry( + index = 4473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.24243e-10,'m^3/(mol*s)'), n=4.59985, w0=(411,'kJ/mol'), E0=(30.346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22505044405079538, var=1.5508915666980485, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->C + Total Standard Deviation in ln(k): 3.0620461362861082"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 3.0620461362861082""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-3C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5OS->O_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 3.0620461362861082 +""", +) + +entry( + index = 4474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.000434719,'m^3/(mol*s)'), n=2.76806, w0=(411,'kJ/mol'), E0=(52.0745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19021081559214334, var=5.599846982079053, Tref=1000.0, N=505, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R',), comment="""BM rule fitted to 505 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R + Total Standard Deviation in ln(k): 5.221920871421921"""), + rank = 11, + shortDesc = """BM rule fitted to 505 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.221920871421921""", + longDesc = +""" +BM rule fitted to 505 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.221920871421921 +""", +) + +entry( + index = 4475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(4.62255e-09,'m^3/(mol*s)'), n=4.11302, w0=(411,'kJ/mol'), E0=(36.6858,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.035724728168471116, var=3.2826734437610803, Tref=1000.0, N=107, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 3.7219696245451472"""), + rank = 11, + shortDesc = """BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 3.7219696245451472""", + longDesc = +""" +BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 3.7219696245451472 +""", +) + +entry( + index = 4476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C", + kinetics = ArrheniusBM(A=(6.49469e-11,'m^3/(mol*s)'), n=4.62185, w0=(411,'kJ/mol'), E0=(33.3891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021402145246002934, var=2.7125894180228314, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C + Total Standard Deviation in ln(k): 3.3555609891020697"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C +Total Standard Deviation in ln(k): 3.3555609891020697""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C +Total Standard Deviation in ln(k): 3.3555609891020697 +""", +) + +entry( + index = 4477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.64774e-14,'m^3/(mol*s)'), n=5.71056, w0=(411,'kJ/mol'), E0=(25.8692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03714500350290737, var=2.1231903181559635, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C + Total Standard Deviation in ln(k): 3.0144629683940534"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 3.0144629683940534""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 3.0144629683940534 +""", +) + +entry( + index = 4478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.24781e-19,'m^3/(mol*s)'), n=7.03799, w0=(411,'kJ/mol'), E0=(3.7859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1911187625566032, var=0.36314251802960074, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.688277465201213"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.688277465201213""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.688277465201213 +""", +) + +entry( + index = 4479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(4.9151e-11,'m^3/(mol*s)'), n=4.71006, w0=(411,'kJ/mol'), E0=(25.3129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_Sp-8R!H=1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_Sp-8R!H=1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_Sp-8R!H=1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C", + kinetics = ArrheniusBM(A=(1.00728e-19,'m^3/(mol*s)'), n=7.18106, w0=(411,'kJ/mol'), E0=(2.14184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2117874844309235, var=0.2751917972060778, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C + Total Standard Deviation in ln(k): 1.5837878465025799"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 1.5837878465025799""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C +Total Standard Deviation in ln(k): 1.5837878465025799 +""", +) + +entry( + index = 4481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.56e-10,'m^3/(mol*s)'), n=4.31, w0=(411,'kJ/mol'), E0=(32.492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007523809237139858, var=4.6342411077923226e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 0.01891769059568238"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.01891769059568238""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.01891769059568238 +""", +) + +entry( + index = 4482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.78031e-11,'m^3/(mol*s)'), n=4.71901, w0=(411,'kJ/mol'), E0=(41.3635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007502137168496055, var=0.07028431803621867, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.5503287106240746"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5503287106240746""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.5503287106240746 +""", +) + +entry( + index = 4483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(8.39e-12,'m^3/(mol*s)'), n=4.89, w0=(411,'kJ/mol'), E0=(39.7366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01440211728622914, var=1.1552682889299773e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.036193038278994276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.036193038278994276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-5C-R_Ext-1C-R_N-Sp-8R!H=1C_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.036193038278994276 +""", +) + +entry( + index = 4484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.55818e-07,'m^3/(mol*s)'), n=3.53709, w0=(411,'kJ/mol'), E0=(43.9537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1534161155971709, var=2.450552083887648, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.523727892686228"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.523727892686228""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.523727892686228 +""", +) + +entry( + index = 4485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O", + kinetics = ArrheniusBM(A=(2.05728e-06,'m^3/(mol*s)'), n=3.45987, w0=(411,'kJ/mol'), E0=(49.5819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1330761939435702, var=7.891434218979039, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O + Total Standard Deviation in ln(k): 5.966003266479004"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O +Total Standard Deviation in ln(k): 5.966003266479004""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O +Total Standard Deviation in ln(k): 5.966003266479004 +""", +) + +entry( + index = 4486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.95278e-11,'m^3/(mol*s)'), n=4.87352, w0=(411,'kJ/mol'), E0=(28.6239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03803483005118753, var=4.639260005038462e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 0.09557855430041164"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.09557855430041164""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.09557855430041164 +""", +) + +entry( + index = 4487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(4.84214e-07,'m^3/(mol*s)'), n=3.46864, w0=(411,'kJ/mol'), E0=(39.3182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16743273554808946, var=0.7137903408931324, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O + Total Standard Deviation in ln(k): 2.114408022162347"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O +Total Standard Deviation in ln(k): 2.114408022162347""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O +Total Standard Deviation in ln(k): 2.114408022162347 +""", +) + +entry( + index = 4488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.67229e-09,'m^3/(mol*s)'), n=3.79476, w0=(411,'kJ/mol'), E0=(22.184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2953422812245919, var=9.591475822059409e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 0.7420660332276798"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.7420660332276798""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_6R!H->C_Ext-1C-R_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.7420660332276798 +""", +) + +entry( + index = 4489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.9493e-09,'m^3/(mol*s)'), n=3.99655, w0=(411,'kJ/mol'), E0=(33.8758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11333579340367987, var=9.02127712210214, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C + Total Standard Deviation in ln(k): 6.306073500916662"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 6.306073500916662""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 6.306073500916662 +""", +) + +entry( + index = 4490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.03133e-09,'m^3/(mol*s)'), n=4.03637, w0=(411,'kJ/mol'), E0=(30.7208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02776353445435434, var=12.977133515372389, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 7.291572904880965"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.291572904880965""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.291572904880965 +""", +) + +entry( + index = 4491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.54641e-10,'m^3/(mol*s)'), n=3.84384, w0=(411,'kJ/mol'), E0=(29.4332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1672532803533508, var=1.2151610020147725, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.6301408817868697"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.6301408817868697""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.6301408817868697 +""", +) + +entry( + index = 4492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.18952e-10,'m^3/(mol*s)'), n=3.87669, w0=(411,'kJ/mol'), E0=(29.6021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.02298e-09,'m^3/(mol*s)'), n=3.69879, w0=(411,'kJ/mol'), E0=(29.0913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.49773e-10,'m^3/(mol*s)'), n=4.19319, w0=(411,'kJ/mol'), E0=(31.1516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(7.79465e-08,'m^3/(mol*s)'), n=3.83009, w0=(411,'kJ/mol'), E0=(34.8636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1699671091925422, var=18.71969118759909, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 9.10079163292334"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 9.10079163292334""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 9.10079163292334 +""", +) + +entry( + index = 4496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.27992e-06,'m^3/(mol*s)'), n=3.35514, w0=(411,'kJ/mol'), E0=(37.1014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18303174254019164, var=51.36941911658793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 14.828308758935334"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.828308758935334""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.828308758935334 +""", +) + +entry( + index = 4497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.71369e-10,'m^3/(mol*s)'), n=4.63205, w0=(411,'kJ/mol'), E0=(24.1214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-4C-R_N-6R!H->C_Ext-1C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.16276e-11,'m^3/(mol*s)'), n=4.83442, w0=(411,'kJ/mol'), E0=(24.3431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1739264538324799, var=3.303144509473835, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.080517941004806"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.080517941004806""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.080517941004806 +""", +) + +entry( + index = 4499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(9.65531e-11,'m^3/(mol*s)'), n=4.57446, w0=(411,'kJ/mol'), E0=(26.1518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F", + kinetics = ArrheniusBM(A=(9.22185e-12,'m^3/(mol*s)'), n=5.00658, w0=(411,'kJ/mol'), E0=(25.9562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06118567107616371, var=0.8441024406555873, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F + Total Standard Deviation in ln(k): 1.9955841523340556"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F +Total Standard Deviation in ln(k): 1.9955841523340556""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F +Total Standard Deviation in ln(k): 1.9955841523340556 +""", +) + +entry( + index = 4501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C", + kinetics = ArrheniusBM(A=(6.84551e-13,'m^3/(mol*s)'), n=5.29491, w0=(411,'kJ/mol'), E0=(22.9233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09772559677749286, var=1.0009412153283244, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C + Total Standard Deviation in ln(k): 2.251219999640628"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C +Total Standard Deviation in ln(k): 2.251219999640628""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C +Total Standard Deviation in ln(k): 2.251219999640628 +""", +) + +entry( + index = 4502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(1.11093e-12,'m^3/(mol*s)'), n=5.34887, w0=(411,'kJ/mol'), E0=(23.8788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(6.10632e-13,'m^3/(mol*s)'), n=5.25202, w0=(411,'kJ/mol'), E0=(22.582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07778063664645334, var=0.017584527724049274, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 0.4612699690337224"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 0.4612699690337224""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 0.4612699690337224 +""", +) + +entry( + index = 4504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(6.71222e-14,'m^3/(mol*s)'), n=5.61997, w0=(411,'kJ/mol'), E0=(25.4412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(5.53932e-12,'m^3/(mol*s)'), n=4.88442, w0=(411,'kJ/mol'), E0=(19.7231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_7R!H->C_Ext-7C-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.10676e-12,'m^3/(mol*s)'), n=5.1859, w0=(411,'kJ/mol'), E0=(26.0749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_6R!H->F_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F", + kinetics = ArrheniusBM(A=(4.69469e-05,'m^3/(mol*s)'), n=2.75421, w0=(411,'kJ/mol'), E0=(39.2743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08720211237367312, var=8.366187371983544, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F + Total Standard Deviation in ln(k): 6.017669163749073"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F +Total Standard Deviation in ln(k): 6.017669163749073""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F +Total Standard Deviation in ln(k): 6.017669163749073 +""", +) + +entry( + index = 4508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.10329e-09,'m^3/(mol*s)'), n=3.98005, w0=(411,'kJ/mol'), E0=(15.063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-6CCl-R", + kinetics = ArrheniusBM(A=(0.0135325,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(28.7075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-6CCl-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-6CCl-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-6CCl-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_Ext-6CCl-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_6CCl->C", + kinetics = ArrheniusBM(A=(5.6934e-12,'m^3/(mol*s)'), n=4.69157, w0=(411,'kJ/mol'), E0=(32.65,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_N-6CCl->C", + kinetics = ArrheniusBM(A=(2.29575e-11,'m^3/(mol*s)'), n=4.49815, w0=(411,'kJ/mol'), E0=(24.8594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_N-6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_N-6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_Ext-1C-R_N-6R!H->F_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.20673e-11,'m^3/(mol*s)'), n=4.72709, w0=(411,'kJ/mol'), E0=(33.2293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05507540202383152, var=1.4734291018821837, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 2.5718258341694655"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 2.5718258341694655""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 2.5718258341694655 +""", +) + +entry( + index = 4513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.45453e-11,'m^3/(mol*s)'), n=4.5338, w0=(411,'kJ/mol'), E0=(31.4082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(7.3637e-12,'m^3/(mol*s)'), n=4.75577, w0=(411,'kJ/mol'), E0=(34.8249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.93152e-07,'m^3/(mol*s)'), n=3.66625, w0=(411,'kJ/mol'), E0=(39.6189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0473913164927217, var=3.7247729009233685, Tref=1000.0, N=69, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C',), comment="""BM rule fitted to 69 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C + Total Standard Deviation in ln(k): 3.988146347980233"""), + rank = 11, + shortDesc = """BM rule fitted to 69 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C +Total Standard Deviation in ln(k): 3.988146347980233""", + longDesc = +""" +BM rule fitted to 69 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C +Total Standard Deviation in ln(k): 3.988146347980233 +""", +) + +entry( + index = 4516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F", + kinetics = ArrheniusBM(A=(4.25351e-08,'m^3/(mol*s)'), n=3.99705, w0=(411,'kJ/mol'), E0=(40.9909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01304057721300947, var=2.2226444494849065, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F + Total Standard Deviation in ln(k): 3.0215317717527883"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F +Total Standard Deviation in ln(k): 3.0215317717527883""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F +Total Standard Deviation in ln(k): 3.0215317717527883 +""", +) + +entry( + index = 4517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.71649e-08,'m^3/(mol*s)'), n=4.10327, w0=(411,'kJ/mol'), E0=(38.6074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0035155509785934225, var=2.8964252606670473, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R + Total Standard Deviation in ln(k): 3.420669084206831"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R +Total Standard Deviation in ln(k): 3.420669084206831""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R +Total Standard Deviation in ln(k): 3.420669084206831 +""", +) + +entry( + index = 4518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.49152e-13,'m^3/(mol*s)'), n=5.58755, w0=(411,'kJ/mol'), E0=(24.3325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10118211380005335, var=1.6167191728524242, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 2.8032525250084603"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 2.8032525250084603""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 2.8032525250084603 +""", +) + +entry( + index = 4519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_6R!H->O", + kinetics = ArrheniusBM(A=(9.02924e-11,'m^3/(mol*s)'), n=4.73695, w0=(411,'kJ/mol'), E0=(35.0818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(2.18836e-14,'m^3/(mol*s)'), n=5.9184, w0=(411,'kJ/mol'), E0=(20.1459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001136018151644192, var=1.4551865393712773, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O + Total Standard Deviation in ln(k): 2.421188551040888"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.421188551040888""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.421188551040888 +""", +) + +entry( + index = 4521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.25775e-13,'m^3/(mol*s)'), n=5.5891, w0=(411,'kJ/mol'), E0=(21.4576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16713934308439266, var=2.4703319192177005, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 3.570848273609904"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 3.570848273609904""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 3.570848273609904 +""", +) + +entry( + index = 4522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_8R!H->O", + kinetics = ArrheniusBM(A=(5.6809e-09,'m^3/(mol*s)'), n=4.21979, w0=(411,'kJ/mol'), E0=(32.0149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_8R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_8R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_8R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_8R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O", + kinetics = ArrheniusBM(A=(3.37251e-08,'m^3/(mol*s)'), n=4.15672, w0=(411,'kJ/mol'), E0=(36.7611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08503613660403692, var=4.147179104684114, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O + Total Standard Deviation in ln(k): 4.296226240807963"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O +Total Standard Deviation in ln(k): 4.296226240807963""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O +Total Standard Deviation in ln(k): 4.296226240807963 +""", +) + +entry( + index = 4524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(3.71321e-10,'m^3/(mol*s)'), n=4.83106, w0=(411,'kJ/mol'), E0=(31.113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(6.31658e-10,'m^3/(mol*s)'), n=4.55428, w0=(411,'kJ/mol'), E0=(32.9945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2649979848075681, var=0.6288439604805558, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C + Total Standard Deviation in ln(k): 2.2555726287405355"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 2.2555726287405355""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C +Total Standard Deviation in ln(k): 2.2555726287405355 +""", +) + +entry( + index = 4526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.80698e-11,'m^3/(mol*s)'), n=4.87699, w0=(411,'kJ/mol'), E0=(32.2928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20026352809734932, var=0.08842962221281814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 1.0993251411231202"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.0993251411231202""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.0993251411231202 +""", +) + +entry( + index = 4527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(412151,'m^3/(mol*s)'), n=0.0336663, w0=(411,'kJ/mol'), E0=(59.179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-4C-R_N-6R!H->O_Ext-1C-R_N-8R!H->O_N-8BrCClFINPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.32426e-08,'m^3/(mol*s)'), n=3.9312, w0=(411,'kJ/mol'), E0=(40.1921,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05068020352424884, var=4.312810693514045, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.2906322168894455"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.2906322168894455""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.2906322168894455 +""", +) + +entry( + index = 4529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_7R!H->O", + kinetics = ArrheniusBM(A=(7.62515e-10,'m^3/(mol*s)'), n=4.43141, w0=(411,'kJ/mol'), E0=(31.6064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_7R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_7R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(4.3066e-09,'m^3/(mol*s)'), n=4.2186, w0=(411,'kJ/mol'), E0=(38.1337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026229474579310002, var=5.601852226371208, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O + Total Standard Deviation in ln(k): 4.8107567639256095"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O +Total Standard Deviation in ln(k): 4.8107567639256095""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O +Total Standard Deviation in ln(k): 4.8107567639256095 +""", +) + +entry( + index = 4531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.46334e-13,'m^3/(mol*s)'), n=5.31881, w0=(411,'kJ/mol'), E0=(29.9317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.5811866276976995e-05, var=2.5309628609053405, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 3.1893979206352787"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 3.1893979206352787""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 3.1893979206352787 +""", +) + +entry( + index = 4532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.32133e-13,'m^3/(mol*s)'), n=5.50563, w0=(411,'kJ/mol'), E0=(32.3839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(9.97475e-12,'m^3/(mol*s)'), n=4.83711, w0=(411,'kJ/mol'), E0=(29.5649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(3.88963e-13,'m^3/(mol*s)'), n=5.34451, w0=(411,'kJ/mol'), E0=(30.1711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_Ext-1C-R_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_6R!H->O", + kinetics = ArrheniusBM(A=(5.88998e-09,'m^3/(mol*s)'), n=4.38251, w0=(411,'kJ/mol'), E0=(39.7321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.000146474,'m^3/(mol*s)'), n=2.78492, w0=(411,'kJ/mol'), E0=(47.1584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1035070648131838, var=59.955973709464445, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O + Total Standard Deviation in ln(k): 15.78298086694201"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O +Total Standard Deviation in ln(k): 15.78298086694201""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O +Total Standard Deviation in ln(k): 15.78298086694201 +""", +) + +entry( + index = 4537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(2.94174e-10,'m^3/(mol*s)'), n=4.7927, w0=(411,'kJ/mol'), E0=(31.4952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_7BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_N-7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(3.15678e-10,'m^3/(mol*s)'), n=4.03299, w0=(411,'kJ/mol'), E0=(34.1776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_N-7BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_N-7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-4C-R_Ext-1C-R_N-7R!H->O_N-6R!H->O_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.5617e-07,'m^3/(mol*s)'), n=3.60794, w0=(411,'kJ/mol'), E0=(45.8196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07322218177752052, var=2.083710597786569, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R + Total Standard Deviation in ln(k): 3.0778231560071507"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R +Total Standard Deviation in ln(k): 3.0778231560071507""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R +Total Standard Deviation in ln(k): 3.0778231560071507 +""", +) + +entry( + index = 4540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_6R!H->O", + kinetics = ArrheniusBM(A=(9.37925e-11,'m^3/(mol*s)'), n=4.79739, w0=(411,'kJ/mol'), E0=(31.8339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(3.33014e-08,'m^3/(mol*s)'), n=3.99827, w0=(411,'kJ/mol'), E0=(42.8816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011727044689505016, var=3.132946463768868, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O + Total Standard Deviation in ln(k): 3.577872336162311"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O +Total Standard Deviation in ln(k): 3.577872336162311""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O +Total Standard Deviation in ln(k): 3.577872336162311 +""", +) + +entry( + index = 4542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.09103e-12,'m^3/(mol*s)'), n=5.2251, w0=(411,'kJ/mol'), E0=(31.6598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01601948725256916, var=0.12061399491376848, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R + Total Standard Deviation in ln(k): 0.7364849500996618"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.7364849500996618""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R +Total Standard Deviation in ln(k): 0.7364849500996618 +""", +) + +entry( + index = 4543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.01988e-13,'m^3/(mol*s)'), n=5.35616, w0=(411,'kJ/mol'), E0=(31.6799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(2.27397e-10,'m^3/(mol*s)'), n=4.82131, w0=(411,'kJ/mol'), E0=(33.7462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(4.5975e-12,'m^3/(mol*s)'), n=5.01782, w0=(411,'kJ/mol'), E0=(36.8656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_5ClFNOS->F_Ext-1C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F", + kinetics = ArrheniusBM(A=(4.17942e-07,'m^3/(mol*s)'), n=3.51373, w0=(411,'kJ/mol'), E0=(39.2646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06150952015618297, var=4.262933644843883, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F + Total Standard Deviation in ln(k): 4.293697586275346"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F +Total Standard Deviation in ln(k): 4.293697586275346""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F +Total Standard Deviation in ln(k): 4.293697586275346 +""", +) + +entry( + index = 4547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl", + kinetics = ArrheniusBM(A=(8.17352e-07,'m^3/(mol*s)'), n=3.42531, w0=(411,'kJ/mol'), E0=(41.0986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10126485636543632, var=4.744011497472731, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl + Total Standard Deviation in ln(k): 4.6208980305858445"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl +Total Standard Deviation in ln(k): 4.6208980305858445""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl +Total Standard Deviation in ln(k): 4.6208980305858445 +""", +) + +entry( + index = 4548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.02099e-07,'m^3/(mol*s)'), n=3.49306, w0=(411,'kJ/mol'), E0=(38.1262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04761962287639862, var=4.822804537118674, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R + Total Standard Deviation in ln(k): 4.5222228684032935"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 4.5222228684032935""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 4.5222228684032935 +""", +) + +entry( + index = 4549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_1C-inRing", + kinetics = ArrheniusBM(A=(3.96149e-09,'m^3/(mol*s)'), n=4.36016, w0=(411,'kJ/mol'), E0=(31.0478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(2.39269e-08,'m^3/(mol*s)'), n=3.73877, w0=(411,'kJ/mol'), E0=(35.8489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015446448111903351, var=4.655210808681671, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing + Total Standard Deviation in ln(k): 4.364214053187705"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.364214053187705""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.364214053187705 +""", +) + +entry( + index = 4551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.3244e-07,'m^3/(mol*s)'), n=3.50334, w0=(411,'kJ/mol'), E0=(37.3513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04234456042691182, var=4.647358524922756, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.428147723153787"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.428147723153787""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.428147723153787 +""", +) + +entry( + index = 4552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.86731e-10,'m^3/(mol*s)'), n=4.19972, w0=(411,'kJ/mol'), E0=(32.4224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03986217760765893, var=7.203062078043377, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 5.480568666341408"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.480568666341408""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 5.480568666341408 +""", +) + +entry( + index = 4553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(0.0133923,'m^3/(mol*s)'), n=1.97411, w0=(411,'kJ/mol'), E0=(48.1953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14696403842805836, var=10.410702902882138, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 6.837658573661003"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 6.837658573661003""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 6.837658573661003 +""", +) + +entry( + index = 4554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.75492e-12,'m^3/(mol*s)'), n=4.34184, w0=(411,'kJ/mol'), E0=(26.9841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(8.35541e-12,'m^3/(mol*s)'), n=4.53681, w0=(411,'kJ/mol'), E0=(28.9376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.039760472068929624, var=0.23815005269498546, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C + Total Standard Deviation in ln(k): 1.0782238337078454"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C +Total Standard Deviation in ln(k): 1.0782238337078454""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C +Total Standard Deviation in ln(k): 1.0782238337078454 +""", +) + +entry( + index = 4556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C", + kinetics = ArrheniusBM(A=(8.04213e-12,'m^3/(mol*s)'), n=4.55741, w0=(411,'kJ/mol'), E0=(31.0359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(8.29763e-12,'m^3/(mol*s)'), n=4.52183, w0=(411,'kJ/mol'), E0=(26.7894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(2.33124e-12,'m^3/(mol*s)'), n=5.04874, w0=(411,'kJ/mol'), E0=(-12.7936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029449529589013233, var=5.845380969941325, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 4.920886432966456"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.920886432966456""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.920886432966456 +""", +) + +entry( + index = 4559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(5.67491e-10,'m^3/(mol*s)'), n=4.53307, w0=(411,'kJ/mol'), E0=(25.262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.6707e-10,'m^3/(mol*s)'), n=4.3491, w0=(411,'kJ/mol'), E0=(16.0748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_Sp-8R!H-7R!H_N-Sp-7R!H-1C_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(3.41015e-19,'m^3/(mol*s)'), n=6.79205, w0=(411,'kJ/mol'), E0=(3.02859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4324006879257461, var=7.832880019837501, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 6.697142656651378"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 6.697142656651378""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 6.697142656651378 +""", +) + +entry( + index = 4562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(2.09405e-17,'m^3/(mol*s)'), n=6.08325, w0=(411,'kJ/mol'), E0=(17.733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14211668470975652, var=1.0944781677622133, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C + Total Standard Deviation in ln(k): 2.4543770199279282"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C +Total Standard Deviation in ln(k): 2.4543770199279282""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C +Total Standard Deviation in ln(k): 2.4543770199279282 +""", +) + +entry( + index = 4563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C", + kinetics = ArrheniusBM(A=(3.83197e-12,'m^3/(mol*s)'), n=4.57431, w0=(411,'kJ/mol'), E0=(37.3431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.60267e-11,'m^3/(mol*s)'), n=4.39862, w0=(411,'kJ/mol'), E0=(32.7659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Sp-7R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(2.49872e-19,'m^3/(mol*s)'), n=7.02719, w0=(411,'kJ/mol'), E0=(3.79903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07621962753005426, var=24.155810923872792, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 10.044491115619055"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 10.044491115619055""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 10.044491115619055 +""", +) + +entry( + index = 4566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_8R!H->C", + kinetics = ArrheniusBM(A=(1.32348e-11,'m^3/(mol*s)'), n=4.70174, w0=(411,'kJ/mol'), E0=(40.925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.62687e-09,'m^3/(mol*s)'), n=4.32786, w0=(411,'kJ/mol'), E0=(29.475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_N-Sp-7R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(4.59044e-14,'m^3/(mol*s)'), n=5.67166, w0=(411,'kJ/mol'), E0=(8.0308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3676798296935695, var=2.1979397091284767, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 3.8959286545926384"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 3.8959286545926384""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 3.8959286545926384 +""", +) + +entry( + index = 4569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(1.32214e-10,'m^3/(mol*s)'), n=4.84697, w0=(411,'kJ/mol'), E0=(32.9912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.13e-10,'m^3/(mol*s)'), n=4.54611, w0=(411,'kJ/mol'), E0=(7.13947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.0820262247258365, var=23.733960420357597, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 17.510355140172134"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 17.510355140172134""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 17.510355140172134 +""", +) + +entry( + index = 4571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.81325e-09,'m^3/(mol*s)'), n=4.22009, w0=(411,'kJ/mol'), E0=(25.4512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_Sp-7R!H=1C_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(2.69996e-07,'m^3/(mol*s)'), n=3.40654, w0=(411,'kJ/mol'), E0=(36.3878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05083022888154844, var=1.9634669194932561, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 2.936824388544418"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 2.936824388544418""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 2.936824388544418 +""", +) + +entry( + index = 4573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.71354e-06,'m^3/(mol*s)'), n=3.15266, w0=(411,'kJ/mol'), E0=(34.9623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10418956270565836, var=1.833765427465852, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 2.9765268068693524"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 2.9765268068693524""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 2.9765268068693524 +""", +) + +entry( + index = 4574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.73444e-09,'m^3/(mol*s)'), n=4.07359, w0=(411,'kJ/mol'), E0=(17.4296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.71943e-11,'m^3/(mol*s)'), n=4.60734, w0=(411,'kJ/mol'), E0=(25.5217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.034933909166180846, var=0.03446857870854196, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 0.4599670494508179"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 0.4599670494508179""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 0.4599670494508179 +""", +) + +entry( + index = 4576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C", + kinetics = ArrheniusBM(A=(4.68723e-11,'m^3/(mol*s)'), n=4.49902, w0=(411,'kJ/mol'), E0=(26.6045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.61938e-11,'m^3/(mol*s)'), n=4.53849, w0=(411,'kJ/mol'), E0=(26.0074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_7R!H->C_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.67085e-11,'m^3/(mol*s)'), n=4.48031, w0=(411,'kJ/mol'), E0=(22.8807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->C", + kinetics = ArrheniusBM(A=(4.72113e-11,'m^3/(mol*s)'), n=4.5905, w0=(411,'kJ/mol'), E0=(33.188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.89372e-13,'m^3/(mol*s)'), n=4.90825, w0=(411,'kJ/mol'), E0=(26.8799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13519508533048277, var=0.777462744088807, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C + Total Standard Deviation in ln(k): 2.107338200553027"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.107338200553027""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C +Total Standard Deviation in ln(k): 2.107338200553027 +""", +) + +entry( + index = 4581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_7ClO->O", + kinetics = ArrheniusBM(A=(3.16623e-12,'m^3/(mol*s)'), n=4.55596, w0=(411,'kJ/mol'), E0=(22.9115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_7ClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_7ClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_7ClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_7ClO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_N-7ClO->O", + kinetics = ArrheniusBM(A=(5.4566e-12,'m^3/(mol*s)'), n=4.77441, w0=(411,'kJ/mol'), E0=(34.9234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_N-7ClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_N-7ClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_N-7ClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_Ext-4C-R_N-1C-inRing_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H->C_N-7ClO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_1C-inRing", + kinetics = ArrheniusBM(A=(3.73684e-07,'m^3/(mol*s)'), n=4.14991, w0=(411,'kJ/mol'), E0=(33.7614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing", + kinetics = ArrheniusBM(A=(6.30148e-08,'m^3/(mol*s)'), n=3.81906, w0=(411,'kJ/mol'), E0=(39.9478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10054569503252452, var=3.9659153632649, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing + Total Standard Deviation in ln(k): 4.244978315617906"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing +Total Standard Deviation in ln(k): 4.244978315617906""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing +Total Standard Deviation in ln(k): 4.244978315617906 +""", +) + +entry( + index = 4585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.2576e-07,'m^3/(mol*s)'), n=3.63946, w0=(411,'kJ/mol'), E0=(41.0141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12243477424256682, var=3.92121393483044, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.277412544207268"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.277412544207268""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.277412544207268 +""", +) + +entry( + index = 4586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.858e-07,'m^3/(mol*s)'), n=3.53265, w0=(411,'kJ/mol'), E0=(41.8957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10699885069967616, var=4.866473677831568, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.691304034257518"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.691304034257518""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.691304034257518 +""", +) + +entry( + index = 4587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.00551474,'m^3/(mol*s)'), n=2.20453, w0=(411,'kJ/mol'), E0=(48.6185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2377069936401095, var=7.320280511048147, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 6.021268368530772"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 6.021268368530772""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 6.021268368530772 +""", +) + +entry( + index = 4588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.83323e-11,'m^3/(mol*s)'), n=4.64797, w0=(411,'kJ/mol'), E0=(26.6731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(0.218145,'m^3/(mol*s)'), n=1.7738, w0=(411,'kJ/mol'), E0=(53.4597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24699938048181216, var=14.491037746310871, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C + Total Standard Deviation in ln(k): 8.252045661869765"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C +Total Standard Deviation in ln(k): 8.252045661869765""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C +Total Standard Deviation in ln(k): 8.252045661869765 +""", +) + +entry( + index = 4590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.13105e-09,'m^3/(mol*s)'), n=3.52719, w0=(411,'kJ/mol'), E0=(35.3327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(2.6511e-11,'m^3/(mol*s)'), n=4.70749, w0=(411,'kJ/mol'), E0=(35.1653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(5.16541e-13,'m^3/(mol*s)'), n=5.32912, w0=(411,'kJ/mol'), E0=(10.5815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08920766876581128, var=5.860420941618711, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 5.07726395268579"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 5.07726395268579""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 5.07726395268579 +""", +) + +entry( + index = 4593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(3.06175e-09,'m^3/(mol*s)'), n=4.40696, w0=(411,'kJ/mol'), E0=(30.0865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C", + kinetics = ArrheniusBM(A=(7.91001e-10,'m^3/(mol*s)'), n=4.25773, w0=(411,'kJ/mol'), E0=(23.1379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_7R!H->C_N-Sp-6R!H-1C_Ext-7C-R_N-Sp-8R!H=7C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.0909e-10,'m^3/(mol*s)'), n=4.28989, w0=(411,'kJ/mol'), E0=(27.2382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_Sp-7R!H-6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(3.22751e-21,'m^3/(mol*s)'), n=7.56603, w0=(411,'kJ/mol'), E0=(1.32849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16588567483626834, var=3.7320723344335436, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 4.289660119716577"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 4.289660119716577""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 4.289660119716577 +""", +) + +entry( + index = 4597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(3.76964e-21,'m^3/(mol*s)'), n=7.47873, w0=(411,'kJ/mol'), E0=(3.64512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0755480332266062, var=12.338352805551516, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C + Total Standard Deviation in ln(k): 7.231649912633986"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C +Total Standard Deviation in ln(k): 7.231649912633986""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C +Total Standard Deviation in ln(k): 7.231649912633986 +""", +) + +entry( + index = 4598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_7R!H->C", + kinetics = ArrheniusBM(A=(3.76773e-12,'m^3/(mol*s)'), n=4.80729, w0=(411,'kJ/mol'), E0=(43.4246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.23627e-10,'m^3/(mol*s)'), n=4.48492, w0=(411,'kJ/mol'), E0=(37.9773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-6R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(9.67959e-12,'m^3/(mol*s)'), n=4.97645, w0=(411,'kJ/mol'), E0=(41.0662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.896958274721646, var=10.071726345807562, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.128450710080012"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.128450710080012""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.128450710080012 +""", +) + +entry( + index = 4601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_7R!H->C", + kinetics = ArrheniusBM(A=(7.47492e-11,'m^3/(mol*s)'), n=4.75289, w0=(411,'kJ/mol'), E0=(46.6686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.0943175,'m^3/(mol*s)'), n=1.73727, w0=(411,'kJ/mol'), E0=(27.441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-6R!H-1C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.43092e-08,'m^3/(mol*s)'), n=4.10086, w0=(411,'kJ/mol'), E0=(34.4653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13476159455602899, var=1.5975829652180085, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 2.872492469515306"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.872492469515306""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.872492469515306 +""", +) + +entry( + index = 4604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.81257e-09,'m^3/(mol*s)'), n=4.27761, w0=(411,'kJ/mol'), E0=(20.2054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(4.88173e-12,'m^3/(mol*s)'), n=5.01901, w0=(411,'kJ/mol'), E0=(29.6935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014301997069835294, var=2.1680164837887066, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl + Total Standard Deviation in ln(k): 2.9877438481048344"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 2.9877438481048344""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 2.9877438481048344 +""", +) + +entry( + index = 4606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_7R!H->C", + kinetics = ArrheniusBM(A=(9.4386e-11,'m^3/(mol*s)'), n=4.68899, w0=(411,'kJ/mol'), E0=(30.9496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.22094e-11,'m^3/(mol*s)'), n=4.79197, w0=(411,'kJ/mol'), E0=(33.4004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_6R!H->Cl_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(6.6803e-15,'m^3/(mol*s)'), n=6.00276, w0=(411,'kJ/mol'), E0=(18.372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1850848800305685, var=0.5594115740687889, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 1.9644553631649202"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 1.9644553631649202""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 1.9644553631649202 +""", +) + +entry( + index = 4609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_6CO->O", + kinetics = ArrheniusBM(A=(2.4995e-10,'m^3/(mol*s)'), n=4.64017, w0=(411,'kJ/mol'), E0=(30.6949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_6CO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_6CO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_6CO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_6CO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_N-6CO->O", + kinetics = ArrheniusBM(A=(5.65775e-10,'m^3/(mol*s)'), n=4.64321, w0=(411,'kJ/mol'), E0=(32.8924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_N-6CO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_N-6CO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_N-6CO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-6R!H->Cl_N-6CO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O", + kinetics = ArrheniusBM(A=(0.00358385,'m^3/(mol*s)'), n=2.47044, w0=(411,'kJ/mol'), E0=(53.2629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06465935817708293, var=20.535628840594587, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O + Total Standard Deviation in ln(k): 9.247169112444034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O +Total Standard Deviation in ln(k): 9.247169112444034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O +Total Standard Deviation in ln(k): 9.247169112444034 +""", +) + +entry( + index = 4612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_Sp-6O-1C", + kinetics = ArrheniusBM(A=(2.41402e-12,'m^3/(mol*s)'), n=4.86953, w0=(411,'kJ/mol'), E0=(29.6074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_Sp-6O-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_Sp-6O-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_N-Sp-6O-1C", + kinetics = ArrheniusBM(A=(6.45195e-11,'m^3/(mol*s)'), n=4.9181, w0=(411,'kJ/mol'), E0=(32.8326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_N-Sp-6O-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_N-Sp-6O-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_N-Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_6R!H->O_N-Sp-6O-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(9.92791e-06,'m^3/(mol*s)'), n=3.34546, w0=(411,'kJ/mol'), E0=(46.6129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07773640751390727, var=5.575505720257035, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O + Total Standard Deviation in ln(k): 4.929000073313076"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O +Total Standard Deviation in ln(k): 4.929000073313076""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O +Total Standard Deviation in ln(k): 4.929000073313076 +""", +) + +entry( + index = 4615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C", + kinetics = ArrheniusBM(A=(3.44191e-11,'m^3/(mol*s)'), n=4.83894, w0=(411,'kJ/mol'), E0=(35.7875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008556028623951134, var=1.8803433956341071, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C + Total Standard Deviation in ln(k): 2.7705028390278548"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C +Total Standard Deviation in ln(k): 2.7705028390278548""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C +Total Standard Deviation in ln(k): 2.7705028390278548 +""", +) + +entry( + index = 4616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_6CCl->C", + kinetics = ArrheniusBM(A=(1.79655e-10,'m^3/(mol*s)'), n=4.7178, w0=(411,'kJ/mol'), E0=(38.2264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_N-6CCl->C", + kinetics = ArrheniusBM(A=(1.92975e-11,'m^3/(mol*s)'), n=4.82647, w0=(411,'kJ/mol'), E0=(34.491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_N-6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_N-6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_Sp-6CCl-1C_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_N-Sp-6CCl-1C", + kinetics = ArrheniusBM(A=(1.56537e-09,'m^3/(mol*s)'), n=4.57667, w0=(411,'kJ/mol'), E0=(30.8716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_N-Sp-6CCl-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_N-Sp-6CCl-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_N-Sp-6CCl-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_5ClNO->Cl_N-1C-inRing_Ext-1C-R_N-6R!H->O_N-Sp-6CCl-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl", + kinetics = ArrheniusBM(A=(0.000285761,'m^3/(mol*s)'), n=2.72989, w0=(411,'kJ/mol'), E0=(40.3079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03767604160194749, var=0.28543354920812575, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl + Total Standard Deviation in ln(k): 1.1657128113402238"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl +Total Standard Deviation in ln(k): 1.1657128113402238""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl +Total Standard Deviation in ln(k): 1.1657128113402238 +""", +) + +entry( + index = 4620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_5NO->N", + kinetics = ArrheniusBM(A=(303978,'m^3/(mol*s)'), n=0.10344, w0=(411,'kJ/mol'), E0=(60.1727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_5NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_5NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_5NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_5NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N", + kinetics = ArrheniusBM(A=(2.94477e-09,'m^3/(mol*s)'), n=4.18085, w0=(411,'kJ/mol'), E0=(29.3669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0006702697561161185, var=0.30666409602045763, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N + Total Standard Deviation in ln(k): 1.1118514573371647"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N +Total Standard Deviation in ln(k): 1.1118514573371647""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N +Total Standard Deviation in ln(k): 1.1118514573371647 +""", +) + +entry( + index = 4622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.34683e-11,'m^3/(mol*s)'), n=4.62249, w0=(411,'kJ/mol'), E0=(20.9791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06467057314580726, var=1.6034208905732332, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R + Total Standard Deviation in ln(k): 2.7010098640803477"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R +Total Standard Deviation in ln(k): 2.7010098640803477""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R +Total Standard Deviation in ln(k): 2.7010098640803477 +""", +) + +entry( + index = 4623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(5.63681e-12,'m^3/(mol*s)'), n=4.98875, w0=(411,'kJ/mol'), E0=(19.6936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(2.79808e-10,'m^3/(mol*s)'), n=4.33676, w0=(411,'kJ/mol'), E0=(21.7092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.740153516959364, var=1.3973744246591695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 4.229491422172821"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 4.229491422172821""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 4.229491422172821 +""", +) + +entry( + index = 4625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_7BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(57000,'m^3/(mol*s)'), n=-4.33723e-09, w0=(411,'kJ/mol'), E0=(41.0521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_7BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_7BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.77306e-11,'m^3/(mol*s)'), n=4.69939, w0=(411,'kJ/mol'), E0=(20.061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_Sp-5R!H-4C_N-5R!H->C_N-5ClFNOS->F_N-5ClNO->Cl_N-5NO->N_Ext-1C-R_Ext-6R!H-R_N-7R!H->Cl_N-7BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.805561,'m^3/(mol*s)'), n=1.97438, w0=(411,'kJ/mol'), E0=(65.4201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2728059210350694, var=10.005954033376646, Tref=1000.0, N=398, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 398 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 7.0268579699574465"""), + rank = 11, + shortDesc = """BM rule fitted to 398 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 7.0268579699574465""", + longDesc = +""" +BM rule fitted to 398 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 7.0268579699574465 +""", +) + +entry( + index = 4628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing", + kinetics = ArrheniusBM(A=(184210,'m^3/(mol*s)'), n=0.485609, w0=(411,'kJ/mol'), E0=(73.3569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2221694771601155, var=40.902697952670366, Tref=1000.0, N=94, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing',), comment="""BM rule fitted to 94 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing + Total Standard Deviation in ln(k): 15.892104292579909"""), + rank = 11, + shortDesc = """BM rule fitted to 94 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing +Total Standard Deviation in ln(k): 15.892104292579909""", + longDesc = +""" +BM rule fitted to 94 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing +Total Standard Deviation in ln(k): 15.892104292579909 +""", +) + +entry( + index = 4629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing", + kinetics = ArrheniusBM(A=(579671,'m^3/(mol*s)'), n=0.343962, w0=(411,'kJ/mol'), E0=(74.1705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.454479309508093, var=45.301936243362675, Tref=1000.0, N=86, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing',), comment="""BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing + Total Standard Deviation in ln(k): 17.14768349053079"""), + rank = 11, + shortDesc = """BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing +Total Standard Deviation in ln(k): 17.14768349053079""", + longDesc = +""" +BM rule fitted to 86 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing +Total Standard Deviation in ln(k): 17.14768349053079 +""", +) + +entry( + index = 4630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.5775e-06,'m^3/(mol*s)'), n=3.43791, w0=(411,'kJ/mol'), E0=(61.5312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32652972533476254, var=7.856667814459875, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.439648378582138"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.439648378582138""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.439648378582138 +""", +) + +entry( + index = 4631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(0.0525981,'m^3/(mol*s)'), n=2.32564, w0=(411,'kJ/mol'), E0=(88.0111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.43289843315609966, var=14.01642665204047, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 8.593115627599499"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 8.593115627599499""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 8.593115627599499 +""", +) + +entry( + index = 4632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.04865e-08,'m^3/(mol*s)'), n=4.09764, w0=(411,'kJ/mol'), E0=(53.396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1611601895065373, var=19.890568071554203, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R + Total Standard Deviation in ln(k): 9.345811619554429"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 9.345811619554429""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 9.345811619554429 +""", +) + +entry( + index = 4633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + kinetics = ArrheniusBM(A=(2.67261e-07,'m^3/(mol*s)'), n=3.84128, w0=(411,'kJ/mol'), E0=(61.5891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29488814046219397, var=6.018010157446033, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C + Total Standard Deviation in ln(k): 5.658867486349651"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 5.658867486349651""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 5.658867486349651 +""", +) + +entry( + index = 4634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.21001e-11,'m^3/(mol*s)'), n=4.99236, w0=(411,'kJ/mol'), E0=(52.2309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22672713252216004, var=6.873566234794659, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.825577740852806"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.825577740852806""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.825577740852806 +""", +) + +entry( + index = 4635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(7.38343e-11,'m^3/(mol*s)'), n=4.87837, w0=(411,'kJ/mol'), E0=(58.559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25670464007773414, var=6.026517330262766, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.566403863795531"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.566403863795531""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.566403863795531 +""", +) + +entry( + index = 4636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(3.79915e-26,'m^3/(mol*s)'), n=9.27347, w0=(411,'kJ/mol'), E0=(3.90852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2108982663513817, var=9.171391600081543, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 6.601096095916968"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 6.601096095916968""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 6.601096095916968 +""", +) + +entry( + index = 4637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(8.0015e-08,'m^3/(mol*s)'), n=3.98553, w0=(411,'kJ/mol'), E0=(61.9502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3024115474841057, var=3.8819957979393345, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 4.709713631403074"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.709713631403074""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.709713631403074 +""", +) + +entry( + index = 4638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(2.96844e-07,'m^3/(mol*s)'), n=3.84481, w0=(411,'kJ/mol'), E0=(58.1905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4426085610414239, var=17.468252325318073, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 9.490879760235718"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 9.490879760235718""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 9.490879760235718 +""", +) + +entry( + index = 4639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(2.21909e-08,'m^3/(mol*s)'), n=4.1227, w0=(411,'kJ/mol'), E0=(65.7247,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16782929662110654, var=1.5565372740345158, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 2.922814451760206"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 2.922814451760206""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 2.922814451760206 +""", +) + +entry( + index = 4640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.16793e-07,'m^3/(mol*s)'), n=3.86744, w0=(411,'kJ/mol'), E0=(89.8848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.43225308769456905, var=56.689055576648, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 16.18014139619476"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 16.18014139619476""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 16.18014139619476 +""", +) + +entry( + index = 4641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.3435e-09,'m^3/(mol*s)'), n=4.33683, w0=(411,'kJ/mol'), E0=(36.6499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05967113905849164, var=50.73340573060786, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 14.429131483348122"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 14.429131483348122""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 14.429131483348122 +""", +) + +entry( + index = 4642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(6.51431e-05,'m^3/(mol*s)'), n=3.15591, w0=(411,'kJ/mol'), E0=(99.2072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3840299730517776, var=20.20147250967536, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + Total Standard Deviation in ln(k): 9.975391376298338"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 9.975391376298338""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 9.975391376298338 +""", +) + +entry( + index = 4643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000219152,'m^3/(mol*s)'), n=2.98726, w0=(411,'kJ/mol'), E0=(101.081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40326622273808904, var=26.687699583856503, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.369720985016514"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.369720985016514""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.369720985016514 +""", +) + +entry( + index = 4644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.106196,'m^3/(mol*s)'), n=2.21891, w0=(411,'kJ/mol'), E0=(109.997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45793100624116284, var=58.67438312207092, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 16.506691872245977"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 16.506691872245977""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 16.506691872245977 +""", +) + +entry( + index = 4645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.60314e-07,'m^3/(mol*s)'), n=3.84523, w0=(411,'kJ/mol'), E0=(60.7815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2689121877497884, var=20.565824270113108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 9.76704376572473"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 9.76704376572473""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 9.76704376572473 +""", +) + +entry( + index = 4646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.08873e-07,'m^3/(mol*s)'), n=3.97642, w0=(411,'kJ/mol'), E0=(128.79,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2743710751589598, var=150.94473786616027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 25.31946339233918"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 25.31946339233918""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 25.31946339233918 +""", +) + +entry( + index = 4647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.07997e-07,'m^3/(mol*s)'), n=3.84023, w0=(411,'kJ/mol'), E0=(86.4876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39889490426190266, var=58.23299417978877, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 16.30049132043565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 16.30049132043565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 16.30049132043565 +""", +) + +entry( + index = 4648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(8.44265e-08,'m^3/(mol*s)'), n=3.97648, w0=(411,'kJ/mol'), E0=(95.348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2758831569729485, var=111.35850665269749, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 21.84844941449266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.84844941449266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.84844941449266 +""", +) + +entry( + index = 4649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S", + kinetics = ArrheniusBM(A=(1.24371e-14,'m^3/(mol*s)'), n=5.72831, w0=(411,'kJ/mol'), E0=(25.7315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05861583750477059, var=1.2890231658013382, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S + Total Standard Deviation in ln(k): 2.4233550720251933"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 2.4233550720251933""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 2.4233550720251933 +""", +) + +entry( + index = 4650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.5461e-15,'m^3/(mol*s)'), n=5.87751, w0=(411,'kJ/mol'), E0=(23.1501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04261427083586282, var=1.3637830121348749, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 2.44822312007137"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.44822312007137""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.44822312007137 +""", +) + +entry( + index = 4651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.8382e-12,'m^3/(mol*s)'), n=4.93911, w0=(411,'kJ/mol'), E0=(33.9112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12539205575771106, var=1.2955535953133515, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.596892749630427"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.596892749630427""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.596892749630427 +""", +) + +entry( + index = 4652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(3.71158e-09,'m^3/(mol*s)'), n=4.02068, w0=(411,'kJ/mol'), E0=(40.4755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20982011429572853, var=3.329318488022947, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 4.185110070793554"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 4.185110070793554""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 4.185110070793554 +""", +) + +entry( + index = 4653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.70246e-09,'m^3/(mol*s)'), n=3.84985, w0=(411,'kJ/mol'), E0=(36.0955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3079642987822052, var=11.723613707510845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 7.637945039289364"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.637945039289364""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.637945039289364 +""", +) + +entry( + index = 4654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(2.16294e-16,'m^3/(mol*s)'), n=6.25063, w0=(411,'kJ/mol'), E0=(19.5582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11012857701012842, var=0.6231430290617637, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.8592309891360497"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.8592309891360497""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.8592309891360497 +""", +) + +entry( + index = 4655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.68975e-16,'m^3/(mol*s)'), n=6.05287, w0=(411,'kJ/mol'), E0=(8.48244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24884188290375336, var=0.45908469099528537, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 1.983554925724585"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.983554925724585""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.983554925724585 +""", +) + +entry( + index = 4656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(8.69744e-09,'m^3/(mol*s)'), n=4.02215, w0=(411,'kJ/mol'), E0=(34.7284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14677096728426528, var=1.1797327897157075, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 2.5462244001081884"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 2.5462244001081884""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 2.5462244001081884 +""", +) + +entry( + index = 4657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(6.92849e-07,'m^3/(mol*s)'), n=3.40122, w0=(411,'kJ/mol'), E0=(40.0575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(3.22323e-08,'m^3/(mol*s)'), n=3.89725, w0=(411,'kJ/mol'), E0=(36.1156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23836198007378487, var=2.745483805451165, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 3.9206455381687486"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.9206455381687486""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.9206455381687486 +""", +) + +entry( + index = 4659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.34027e-08,'m^3/(mol*s)'), n=3.94952, w0=(411,'kJ/mol'), E0=(49.2163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21443255067582445, var=0.0035460873358872306, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 0.6581552883126415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 0.6581552883126415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 0.6581552883126415 +""", +) + +entry( + index = 4660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(5.29848e-09,'m^3/(mol*s)'), n=4.18609, w0=(411,'kJ/mol'), E0=(43.9516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15552657450069174, var=0.5291476637000858, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C + Total Standard Deviation in ln(k): 1.8490654359232221"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.8490654359232221""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 1.8490654359232221 +""", +) + +entry( + index = 4661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(1.78123e-08,'m^3/(mol*s)'), n=4.02689, w0=(411,'kJ/mol'), E0=(47.3635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23838944528682382, var=1.4607817981391957, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 3.021947531789775"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.021947531789775""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.021947531789775 +""", +) + +entry( + index = 4662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(5.81691e-09,'m^3/(mol*s)'), n=4.18281, w0=(411,'kJ/mol'), E0=(41.9978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09188698692724694, var=0.19595213310324075, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 1.1182974965268289"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 1.1182974965268289""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 1.1182974965268289 +""", +) + +entry( + index = 4663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.80341e-07,'m^3/(mol*s)'), n=3.73269, w0=(411,'kJ/mol'), E0=(51.4358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3386802912490889, var=7.638209290942106, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 6.391504076714893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 6.391504076714893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 6.391504076714893 +""", +) + +entry( + index = 4664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.24558e-07,'m^3/(mol*s)'), n=3.71206, w0=(411,'kJ/mol'), E0=(35.1419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5294619341815654, var=0.38625413901092315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 2.576236136257934"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.576236136257934""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.576236136257934 +""", +) + +entry( + index = 4665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(7.10952e-12,'m^3/(mol*s)'), n=4.87095, w0=(411,'kJ/mol'), E0=(46.3476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19051590970511376, var=6.868689299827604, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S + Total Standard Deviation in ln(k): 5.732729850039783"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 5.732729850039783""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 5.732729850039783 +""", +) + +entry( + index = 4666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.83856e-25,'m^3/(mol*s)'), n=8.63662, w0=(411,'kJ/mol'), E0=(1.29865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10655946072658153, var=7.7369871962934385, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 5.843996226735555"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.843996226735555""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.843996226735555 +""", +) + +entry( + index = 4667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.0123e-25,'m^3/(mol*s)'), n=8.6559, w0=(411,'kJ/mol'), E0=(1.01279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0019058720023735231, var=10.885874436499746, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.619161129230518"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.619161129230518""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.619161129230518 +""", +) + +entry( + index = 4668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(1.23426e-26,'m^3/(mol*s)'), n=8.95748, w0=(411,'kJ/mol'), E0=(0.987009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24849135512476547, var=10.57270883186081, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R + Total Standard Deviation in ln(k): 7.142886995502421"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.142886995502421""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R +Total Standard Deviation in ln(k): 7.142886995502421 +""", +) + +entry( + index = 4669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.52589e-10,'m^3/(mol*s)'), n=4.07519, w0=(411,'kJ/mol'), E0=(69.5625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30893543005803475, var=1.505738642176229, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.2362008695448137"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.2362008695448137""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.2362008695448137 +""", +) + +entry( + index = 4670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi", + kinetics = ArrheniusBM(A=(1.63349e-09,'m^3/(mol*s)'), n=3.90583, w0=(411,'kJ/mol'), E0=(72.6131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35690546724947997, var=6.07657130204983, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi + Total Standard Deviation in ln(k): 5.838560189176534"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi +Total Standard Deviation in ln(k): 5.838560189176534""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi +Total Standard Deviation in ln(k): 5.838560189176534 +""", +) + +entry( + index = 4671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_N-Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi", + kinetics = ArrheniusBM(A=(3.46355e-09,'m^3/(mol*s)'), n=3.88129, w0=(411,'kJ/mol'), E0=(69.7266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2942381587092496, var=0.18553399496122217, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_N-Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_N-Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi + Total Standard Deviation in ln(k): 1.6028045722286193"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_N-Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi +Total Standard Deviation in ln(k): 1.6028045722286193""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_Ext-7R!H-R_N-Sp-9R!H=6BrBrCCClClFFIINNOOPPSiSi +Total Standard Deviation in ln(k): 1.6028045722286193 +""", +) + +entry( + index = 4672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C", + kinetics = ArrheniusBM(A=(7.71782e-10,'m^3/(mol*s)'), n=4.15002, w0=(411,'kJ/mol'), E0=(40.6595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2262286259832808, var=13.850548490735907, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C + Total Standard Deviation in ln(k): 8.029300857960287"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C +Total Standard Deviation in ln(k): 8.029300857960287""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C +Total Standard Deviation in ln(k): 8.029300857960287 +""", +) + +entry( + index = 4673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + kinetics = ArrheniusBM(A=(1.11448e-08,'m^3/(mol*s)'), n=3.94037, w0=(411,'kJ/mol'), E0=(39.1443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25421349831193335, var=22.415555766283603, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + Total Standard Deviation in ln(k): 10.130159477425407"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 10.130159477425407""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 10.130159477425407 +""", +) + +entry( + index = 4674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi", + kinetics = ArrheniusBM(A=(3.31252e-11,'m^3/(mol*s)'), n=4.48049, w0=(411,'kJ/mol'), E0=(39.4349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05136804307088775, var=25.65377126959909, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi + Total Standard Deviation in ln(k): 10.282958807847598"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 10.282958807847598""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi +Total Standard Deviation in ln(k): 10.282958807847598 +""", +) + +entry( + index = 4675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_6BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(2.86352e-10,'m^3/(mol*s)'), n=4.29566, w0=(411,'kJ/mol'), E0=(40.9188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07921976243210631, var=19.989725651173252, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_6BrCClFINOPSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_6BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 9.16218929980235"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 9.16218929980235""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 9.16218929980235 +""", +) + +entry( + index = 4676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-6BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(1.32201e-08,'m^3/(mol*s)'), n=3.6517, w0=(411,'kJ/mol'), E0=(46.8816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4275496160780622, var=113.20824162231521, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-6BrCClFINOPSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-6BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 22.40449852028513"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 22.40449852028513""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_9R!H->C_N-Sp-9C#6BrBrBrCCCClClClFFFIIINNNOOOPPPSiSiSi_N-6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 22.40449852028513 +""", +) + +entry( + index = 4677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(5.43505e-07,'m^3/(mol*s)'), n=3.53777, w0=(411,'kJ/mol'), E0=(74.0167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6355351132300038, var=29.441369358285737, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_N-9R!H->C + Total Standard Deviation in ln(k): 12.474494722093189"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_N-9R!H->C +Total Standard Deviation in ln(k): 12.474494722093189""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6BrCClFINOPSi-R_N-9R!H->C +Total Standard Deviation in ln(k): 12.474494722093189 +""", +) + +entry( + index = 4678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_6BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(5.72715e-09,'m^3/(mol*s)'), n=4.08622, w0=(411,'kJ/mol'), E0=(49.6793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17139316877216462, var=3.18869379968823, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_6BrCClFINOPSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_6BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 4.010474302701588"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 4.010474302701588""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 4.010474302701588 +""", +) + +entry( + index = 4679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(7.80035e-24,'m^3/(mol*s)'), n=8.31921, w0=(411,'kJ/mol'), E0=(9.39632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0573532333482621, var=7.312257027645858, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 5.565144873144196"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 5.565144873144196""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 5.565144873144196 +""", +) + +entry( + index = 4680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(3.08575e-14,'m^3/(mol*s)'), n=5.54452, w0=(411,'kJ/mol'), E0=(42.1237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12097110810498174, var=6.928502340563981, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R + Total Standard Deviation in ln(k): 5.580820889373872"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R +Total Standard Deviation in ln(k): 5.580820889373872""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R +Total Standard Deviation in ln(k): 5.580820889373872 +""", +) + +entry( + index = 4681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.82118e-13,'m^3/(mol*s)'), n=5.32975, w0=(411,'kJ/mol'), E0=(42.3031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17890325196076717, var=9.019810099487215, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C + Total Standard Deviation in ln(k): 6.470326252292783"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C +Total Standard Deviation in ln(k): 6.470326252292783""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C +Total Standard Deviation in ln(k): 6.470326252292783 +""", +) + +entry( + index = 4682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi", + kinetics = ArrheniusBM(A=(1.32172e-14,'m^3/(mol*s)'), n=5.61087, w0=(411,'kJ/mol'), E0=(35.7913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003601766542951713, var=17.18926537581483, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi + Total Standard Deviation in ln(k): 8.320669056271466"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 8.320669056271466""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 8.320669056271466 +""", +) + +entry( + index = 4683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.79675e-08,'m^3/(mol*s)'), n=3.76265, w0=(411,'kJ/mol'), E0=(50.6239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.323810321272406, var=46.60263557490661, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi_Ext-7R!H-R + Total Standard Deviation in ln(k): 14.499142921426103"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi_Ext-7R!H-R +Total Standard Deviation in ln(k): 14.499142921426103""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_Sp-8C=6BrCClFINOPSi_Ext-7R!H-R +Total Standard Deviation in ln(k): 14.499142921426103 +""", +) + +entry( + index = 4684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi", + kinetics = ArrheniusBM(A=(7.24537e-14,'m^3/(mol*s)'), n=5.48971, w0=(411,'kJ/mol'), E0=(44.5082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.049705045233439556, var=10.47654225811581, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi + Total Standard Deviation in ln(k): 6.613710738350777"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 6.613710738350777""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 6.613710738350777 +""", +) + +entry( + index = 4685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.47656e-10,'m^3/(mol*s)'), n=4.27835, w0=(411,'kJ/mol'), E0=(67.6287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06477733272384238, var=11.440251412516872, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.943460919720473"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.943460919720473""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_8R!H->C_N-Sp-8C=6BrCClFINOPSi_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.943460919720473 +""", +) + +entry( + index = 4686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.40512e-09,'m^3/(mol*s)'), n=4.01769, w0=(411,'kJ/mol'), E0=(63.1213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2036472096470099, var=2.842949003194443, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-8R!H->C + Total Standard Deviation in ln(k): 3.891869609006436"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.891869609006436""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_Ext-1C-R_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.891869609006436 +""", +) + +entry( + index = 4687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_6BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(1.14e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(55.6472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.551115123111609e-17, var=5.658166472455928e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_6BrCClFINOPSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_6BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 4.78259095684813e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 4.78259095684813e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 4.78259095684813e-14 +""", +) + +entry( + index = 4688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing", + kinetics = ArrheniusBM(A=(3.90918e-06,'m^3/(mol*s)'), n=3.32605, w0=(411,'kJ/mol'), E0=(61.5446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25879805882627915, var=5.5846791061032945, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing + Total Standard Deviation in ln(k): 5.387821411550873"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 5.387821411550873""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing +Total Standard Deviation in ln(k): 5.387821411550873 +""", +) + +entry( + index = 4689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R", + kinetics = ArrheniusBM(A=(3.09525e-09,'m^3/(mol*s)'), n=4.17082, w0=(411,'kJ/mol'), E0=(56.2362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15318647779247063, var=5.642375803653973, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R + Total Standard Deviation in ln(k): 5.146875324989828"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R +Total Standard Deviation in ln(k): 5.146875324989828""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R +Total Standard Deviation in ln(k): 5.146875324989828 +""", +) + +entry( + index = 4690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.71222e-09,'m^3/(mol*s)'), n=4.21326, w0=(411,'kJ/mol'), E0=(52.6692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1253813276164037, var=5.059195666860632, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C + Total Standard Deviation in ln(k): 4.824210075742354"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C +Total Standard Deviation in ln(k): 4.824210075742354""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C +Total Standard Deviation in ln(k): 4.824210075742354 +""", +) + +entry( + index = 4691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_Sp-7C=6BrCClFINOPSi", + kinetics = ArrheniusBM(A=(1.50857e-09,'m^3/(mol*s)'), n=4.21365, w0=(411,'kJ/mol'), E0=(56.1824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11371162133145099, var=10.392755170631553, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_Sp-7C=6BrCClFINOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_Sp-7C=6BrCClFINOPSi + Total Standard Deviation in ln(k): 6.74853171842464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_Sp-7C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 6.74853171842464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_Sp-7C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 6.74853171842464 +""", +) + +entry( + index = 4692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_N-Sp-7C=6BrCClFINOPSi", + kinetics = ArrheniusBM(A=(8.88675e-09,'m^3/(mol*s)'), n=4.13819, w0=(411,'kJ/mol'), E0=(49.8028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1443729707638454, var=7.83304546733846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_N-Sp-7C=6BrCClFINOPSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_N-Sp-7C=6BrCClFINOPSi + Total Standard Deviation in ln(k): 5.9735141799759095"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_N-Sp-7C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 5.9735141799759095""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_7R!H->C_N-Sp-7C=6BrCClFINOPSi +Total Standard Deviation in ln(k): 5.9735141799759095 +""", +) + +entry( + index = 4693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.32525e-09,'m^3/(mol*s)'), n=4.1099, w0=(411,'kJ/mol'), E0=(63.1609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20610975794203046, var=26.241369553581755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-7R!H->C + Total Standard Deviation in ln(k): 10.787385914285618"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.787385914285618""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_N-1C-inRing_Ext-1C-R_N-6R!H->S_N-6BrCClFINOPSi-inRing_Ext-6BrCClFINOPSi-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.787385914285618 +""", +) + +entry( + index = 4694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.03677e-07,'m^3/(mol*s)'), n=3.78607, w0=(411,'kJ/mol'), E0=(49.9391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6365056109732046, var=0.4873047771468217, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.9987101273078642"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.9987101273078642""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.9987101273078642 +""", +) + +entry( + index = 4695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.23e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(45.6204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(7.06e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(49.9164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.01e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(44.3325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.22e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(63.2886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(1.47e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(48.2043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(5.703e-07,'m^3/(mol*s)'), n=3.85809, w0=(411,'kJ/mol'), E0=(51.8505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6132595230550509, var=29.27326152916063, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 12.387426130281375"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 12.387426130281375""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_4C-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 12.387426130281375 +""", +) + +entry( + index = 4701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.0146609,'m^3/(mol*s)'), n=2.4601, w0=(411,'kJ/mol'), E0=(62.5468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2721894895656445, var=7.294134968534411, Tref=1000.0, N=304, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing',), comment="""BM rule fitted to 304 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing + Total Standard Deviation in ln(k): 6.098212776850142"""), + rank = 11, + shortDesc = """BM rule fitted to 304 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.098212776850142""", + longDesc = +""" +BM rule fitted to 304 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing +Total Standard Deviation in ln(k): 6.098212776850142 +""", +) + +entry( + index = 4702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C", + kinetics = ArrheniusBM(A=(1.1212,'m^3/(mol*s)'), n=1.9265, w0=(411,'kJ/mol'), E0=(67.418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3268723345753309, var=6.726290700486595, Tref=1000.0, N=210, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C',), comment="""BM rule fitted to 210 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C + Total Standard Deviation in ln(k): 6.020586421725795"""), + rank = 11, + shortDesc = """BM rule fitted to 210 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C +Total Standard Deviation in ln(k): 6.020586421725795""", + longDesc = +""" +BM rule fitted to 210 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C +Total Standard Deviation in ln(k): 6.020586421725795 +""", +) + +entry( + index = 4703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.95479e-10,'m^3/(mol*s)'), n=4.80452, w0=(411,'kJ/mol'), E0=(48.8591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.042687644438971946, var=0.6313321319647475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.7001459395053535"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.7001459395053535""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.7001459395053535 +""", +) + +entry( + index = 4704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.75641e-08,'m^3/(mol*s)'), n=3.95052, w0=(411,'kJ/mol'), E0=(43.1743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Ext-5C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C", + kinetics = ArrheniusBM(A=(29.7176,'m^3/(mol*s)'), n=1.53548, w0=(411,'kJ/mol'), E0=(68.5435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3562391373549821, var=6.047963771439432, Tref=1000.0, N=115, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C',), comment="""BM rule fitted to 115 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C + Total Standard Deviation in ln(k): 5.8252396359396945"""), + rank = 11, + shortDesc = """BM rule fitted to 115 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C +Total Standard Deviation in ln(k): 5.8252396359396945""", + longDesc = +""" +BM rule fitted to 115 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C +Total Standard Deviation in ln(k): 5.8252396359396945 +""", +) + +entry( + index = 4706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.01144e-06,'m^3/(mol*s)'), n=3.63, w0=(411,'kJ/mol'), E0=(49.9534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19198580198994003, var=4.206076730174169, Tref=1000.0, N=100, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing',), comment="""BM rule fitted to 100 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing + Total Standard Deviation in ln(k): 4.593831800791232"""), + rank = 11, + shortDesc = """BM rule fitted to 100 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 4.593831800791232""", + longDesc = +""" +BM rule fitted to 100 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 4.593831800791232 +""", +) + +entry( + index = 4707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.05593e-07,'m^3/(mol*s)'), n=3.88683, w0=(411,'kJ/mol'), E0=(46.6756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17805346828341254, var=4.286006624737645, Tref=1000.0, N=97, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.597707965948879"""), + rank = 11, + shortDesc = """BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.597707965948879""", + longDesc = +""" +BM rule fitted to 97 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.597707965948879 +""", +) + +entry( + index = 4708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(0.13579,'m^3/(mol*s)'), n=2.30964, w0=(411,'kJ/mol'), E0=(86.5179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3054466874096007, var=20.000167890978805, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 9.73293943869578"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 9.73293943869578""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 9.73293943869578 +""", +) + +entry( + index = 4709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->O", + kinetics = ArrheniusBM(A=(380000,'m^3/(mol*s)'), n=9.84099e-10, w0=(411,'kJ/mol'), E0=(27.2869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.395866,'m^3/(mol*s)'), n=2.19577, w0=(411,'kJ/mol'), E0=(90.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32885739522304114, var=19.072236645072394, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O + Total Standard Deviation in ln(k): 9.581308172670424"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O +Total Standard Deviation in ln(k): 9.581308172670424""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O +Total Standard Deviation in ln(k): 9.581308172670424 +""", +) + +entry( + index = 4711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_Ext-6CClS-R", + kinetics = ArrheniusBM(A=(3.88817e-08,'m^3/(mol*s)'), n=4.22399, w0=(411,'kJ/mol'), E0=(53.5721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.041936407825237616, var=1.3445716655238813, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_Ext-6CClS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_Ext-6CClS-R + Total Standard Deviation in ln(k): 2.429971784749517"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_Ext-6CClS-R +Total Standard Deviation in ln(k): 2.429971784749517""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_Ext-6CClS-R +Total Standard Deviation in ln(k): 2.429971784749517 +""", +) + +entry( + index = 4712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C", + kinetics = ArrheniusBM(A=(4.35753e-07,'m^3/(mol*s)'), n=3.90177, w0=(411,'kJ/mol'), E0=(61.9285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14616618185051786, var=8.365590800647473, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C + Total Standard Deviation in ln(k): 6.1656133478873665"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C +Total Standard Deviation in ln(k): 6.1656133478873665""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C +Total Standard Deviation in ln(k): 6.1656133478873665 +""", +) + +entry( + index = 4713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.41253e-12,'m^3/(mol*s)'), n=5.31415, w0=(411,'kJ/mol'), E0=(49.8197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02704591000633948, var=9.30799752220351, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.184203000658006"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.184203000658006""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.184203000658006 +""", +) + +entry( + index = 4714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.53383e-11,'m^3/(mol*s)'), n=5.19521, w0=(411,'kJ/mol'), E0=(56.3534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07851784536719073, var=6.728048228729032, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.397259391590595"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.397259391590595""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.397259391590595 +""", +) + +entry( + index = 4715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.32871e-24,'m^3/(mol*s)'), n=8.95259, w0=(411,'kJ/mol'), E0=(-10.2388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06086989136605168, var=5.219954350885028, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 4.733201644160698"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 4.733201644160698""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 4.733201644160698 +""", +) + +entry( + index = 4716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(7.65456e-08,'m^3/(mol*s)'), n=4.1125, w0=(411,'kJ/mol'), E0=(61.7612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16364630731997318, var=4.854335902630667, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 4.828115714166059"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.828115714166059""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 4.828115714166059 +""", +) + +entry( + index = 4717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(2.8543e-07,'m^3/(mol*s)'), n=3.97116, w0=(411,'kJ/mol'), E0=(57.2773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30963887626383046, var=0.7507376191444273, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 2.5149921670872954"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 2.5149921670872954""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 2.5149921670872954 +""", +) + +entry( + index = 4718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(2.13313e-08,'m^3/(mol*s)'), n=4.24905, w0=(411,'kJ/mol'), E0=(66.2525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02364941355398646, var=23.217483972556664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 9.719141273946235"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 9.719141273946235""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 9.719141273946235 +""", +) + +entry( + index = 4719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.96523e-07,'m^3/(mol*s)'), n=3.99379, w0=(411,'kJ/mol'), E0=(89.9914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28890242833960245, var=15.004132654076358, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 8.491260565955153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 8.491260565955153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 8.491260565955153 +""", +) + +entry( + index = 4720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.29081e-09,'m^3/(mol*s)'), n=4.46318, w0=(411,'kJ/mol'), E0=(35.6856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09689071340489928, var=114.37408614065056, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 21.68324786313209"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.68324786313209""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_6CClS->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.68324786313209 +""", +) + +entry( + index = 4721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C", + kinetics = ArrheniusBM(A=(6.88005e-06,'m^3/(mol*s)'), n=3.55686, w0=(411,'kJ/mol'), E0=(98.0819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24486117993669995, var=31.739733338832533, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C + Total Standard Deviation in ln(k): 11.909511071870465"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C +Total Standard Deviation in ln(k): 11.909511071870465""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C +Total Standard Deviation in ln(k): 11.909511071870465 +""", +) + +entry( + index = 4722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.01304e-05,'m^3/(mol*s)'), n=3.49103, w0=(411,'kJ/mol'), E0=(99.1494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2572625429427344, var=40.594093617549326, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R + Total Standard Deviation in ln(k): 13.419256000693059"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.419256000693059""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.419256000693059 +""", +) + +entry( + index = 4723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00045183,'m^3/(mol*s)'), n=3.01946, w0=(411,'kJ/mol'), E0=(105.405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2859293174164907, var=79.88004089694734, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 18.6358623782233"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 18.6358623782233""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 18.6358623782233 +""", +) + +entry( + index = 4724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.53847e-07,'m^3/(mol*s)'), n=3.97158, w0=(411,'kJ/mol'), E0=(62.3047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.197591303558665, var=61.74232794991759, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 16.248924334942544"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 16.248924334942544""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 16.248924334942544 +""", +) + +entry( + index = 4725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.04416e-07,'m^3/(mol*s)'), n=4.10277, w0=(411,'kJ/mol'), E0=(130.261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.156517378132163, var=251.69584200020196, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 32.19823118609574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 32.19823118609574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 32.19823118609574 +""", +) + +entry( + index = 4726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.99839e-07,'m^3/(mol*s)'), n=3.96658, w0=(411,'kJ/mol'), E0=(87.8151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28536420655393674, var=125.60824012558267, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 23.185080319062077"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 23.185080319062077""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 23.185080319062077 +""", +) + +entry( + index = 4727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(8.10095e-08,'m^3/(mol*s)'), n=4.10283, w0=(411,'kJ/mol'), E0=(96.7704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15904935053789912, var=199.75000594995393, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 28.7331321969968"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 28.7331321969968""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->O_N-6CClS->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 28.7331321969968 +""", +) + +entry( + index = 4728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(2.45163e-08,'m^3/(mol*s)'), n=4.05282, w0=(411,'kJ/mol'), E0=(42.8316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16777133021686186, var=2.7218102031382703, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C',), comment="""BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 3.7289298082492603"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.7289298082492603""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 3.7289298082492603 +""", +) + +entry( + index = 4729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S", + kinetics = ArrheniusBM(A=(8.45026e-16,'m^3/(mol*s)'), n=6.18939, w0=(411,'kJ/mol'), E0=(24.1742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05849531305460226, var=1.544095527019859, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S + Total Standard Deviation in ln(k): 2.6380898408434024"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S +Total Standard Deviation in ln(k): 2.6380898408434024""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S +Total Standard Deviation in ln(k): 2.6380898408434024 +""", +) + +entry( + index = 4730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.60637e-16,'m^3/(mol*s)'), n=6.32938, w0=(411,'kJ/mol'), E0=(22.0671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04032681318175077, var=1.710781620189975, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 2.7234540010646993"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.7234540010646993""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.7234540010646993 +""", +) + +entry( + index = 4731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(3.38972e-09,'m^3/(mol*s)'), n=4.15303, w0=(411,'kJ/mol'), E0=(41.4883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12094657699265755, var=0.006162104554905181, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing + Total Standard Deviation in ln(k): 0.4612557182149886"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.4612557182149886""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.4612557182149886 +""", +) + +entry( + index = 4732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.37497e-09,'m^3/(mol*s)'), n=3.9762, w0=(411,'kJ/mol'), E0=(37.3021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2378582586202371, var=0.018445559093922505, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 0.869905765234908"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.869905765234908""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.869905765234908 +""", +) + +entry( + index = 4733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(7.8537e-19,'m^3/(mol*s)'), n=7.08848, w0=(411,'kJ/mol'), E0=(12.5643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08532412266971787, var=1.568377340603474, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 2.725009645180432"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.725009645180432""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.725009645180432 +""", +) + +entry( + index = 4734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.13189e-18,'m^3/(mol*s)'), n=7.03553, w0=(411,'kJ/mol'), E0=(15.4716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1182358477349775, var=1.6811822767117541, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.8964227804545093"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.8964227804545093""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.8964227804545093 +""", +) + +entry( + index = 4735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.01524e-17,'m^3/(mol*s)'), n=6.71755, w0=(411,'kJ/mol'), E0=(9.27108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08426392239385402, var=2.5204027517085192, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.39439097382221"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.39439097382221""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.39439097382221 +""", +) + +entry( + index = 4736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.42432e-07,'m^3/(mol*s)'), n=3.83255, w0=(411,'kJ/mol'), E0=(38.6279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.196283728430284, var=0.881076954695755, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 2.3749338010416214"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 2.3749338010416214""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 2.3749338010416214 +""", +) + +entry( + index = 4737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(5.91026e-07,'m^3/(mol*s)'), n=3.65392, w0=(411,'kJ/mol'), E0=(38.2128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(3.0868e-08,'m^3/(mol*s)'), n=4.0236, w0=(411,'kJ/mol'), E0=(37.9304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17337801529836852, var=2.9139424556754108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 3.8577608087986888"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.8577608087986888""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.8577608087986888 +""", +) + +entry( + index = 4739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.28808e-08,'m^3/(mol*s)'), n=4.07587, w0=(411,'kJ/mol'), E0=(52.1628,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17270131586802145, var=10.486511546239619, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 6.9258331837355716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.9258331837355716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.9258331837355716 +""", +) + +entry( + index = 4740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(6.26868e-09,'m^3/(mol*s)'), n=4.28639, w0=(411,'kJ/mol'), E0=(45.5199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06894781332905726, var=2.128465946472807, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 3.0979964392042008"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 3.0979964392042008""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 3.0979964392042008 +""", +) + +entry( + index = 4741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(1.70886e-08,'m^3/(mol*s)'), n=4.15324, w0=(411,'kJ/mol'), E0=(48.8201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15570240123838222, var=4.0459313983326695, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 4.423636582259987"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.423636582259987""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.423636582259987 +""", +) + +entry( + index = 4742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(5.58355e-09,'m^3/(mol*s)'), n=4.30916, w0=(411,'kJ/mol'), E0=(43.1944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0050310534436908225, var=8.138509819243286, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 5.731763816509862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 5.731763816509862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 5.731763816509862 +""", +) + +entry( + index = 4743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.72481e-07,'m^3/(mol*s)'), n=3.85904, w0=(411,'kJ/mol'), E0=(53.5183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29698682065394494, var=0.24983589003791756, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 1.7482365295342002"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 1.7482365295342002""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 1.7482365295342002 +""", +) + +entry( + index = 4744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.15677e-07,'m^3/(mol*s)'), n=3.83841, w0=(411,'kJ/mol'), E0=(36.1419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4330500369410433, var=17.64457584811707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 9.509044740744445"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.509044740744445""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.509044740744445 +""", +) + +entry( + index = 4745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S", + kinetics = ArrheniusBM(A=(4.64456e-08,'m^3/(mol*s)'), n=3.97345, w0=(411,'kJ/mol'), E0=(43.4619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1749611565152008, var=2.873882576933749, Tref=1000.0, N=51, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S',), comment="""BM rule fitted to 51 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S + Total Standard Deviation in ln(k): 3.8381339570491715"""), + rank = 11, + shortDesc = """BM rule fitted to 51 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S +Total Standard Deviation in ln(k): 3.8381339570491715""", + longDesc = +""" +BM rule fitted to 51 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S +Total Standard Deviation in ln(k): 3.8381339570491715 +""", +) + +entry( + index = 4746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.87019e-11,'m^3/(mol*s)'), n=4.72394, w0=(411,'kJ/mol'), E0=(33.5512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14857082385542972, var=3.585166746890676, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 4.169166488598222"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.169166488598222""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.169166488598222 +""", +) + +entry( + index = 4747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.84221e-18,'m^3/(mol*s)'), n=6.7923, w0=(411,'kJ/mol'), E0=(5.43491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10207889229921002, var=6.572663650514585, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.396060375583478"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.396060375583478""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.396060375583478 +""", +) + +entry( + index = 4748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R", + kinetics = ArrheniusBM(A=(7.06046e-07,'m^3/(mol*s)'), n=3.44131, w0=(411,'kJ/mol'), E0=(43.5926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024859337068172983, var=5.439268025279161, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R + Total Standard Deviation in ln(k): 4.737951580014204"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R +Total Standard Deviation in ln(k): 4.737951580014204""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R +Total Standard Deviation in ln(k): 4.737951580014204 +""", +) + +entry( + index = 4749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_9R!H->S", + kinetics = ArrheniusBM(A=(5.2198e-07,'m^3/(mol*s)'), n=3.66412, w0=(411,'kJ/mol'), E0=(74.8578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5236411565364328, var=3.1567659206888665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_9R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_9R!H->S + Total Standard Deviation in ln(k): 4.8775522365743464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_9R!H->S +Total Standard Deviation in ln(k): 4.8775522365743464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_9R!H->S +Total Standard Deviation in ln(k): 4.8775522365743464 +""", +) + +entry( + index = 4750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(7.64879e-07,'m^3/(mol*s)'), n=3.42489, w0=(411,'kJ/mol'), E0=(42.5549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009961060288244287, var=5.2172267154505, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S + Total Standard Deviation in ln(k): 4.604093166592973"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S +Total Standard Deviation in ln(k): 4.604093166592973""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S +Total Standard Deviation in ln(k): 4.604093166592973 +""", +) + +entry( + index = 4751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.6351e-10,'m^3/(mol*s)'), n=4.156, w0=(411,'kJ/mol'), E0=(72.2433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22811019960413498, var=3.2667368466553017, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.19652272471728"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.19652272471728""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.19652272471728 +""", +) + +entry( + index = 4752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi", + kinetics = ArrheniusBM(A=(1.5657e-09,'m^3/(mol*s)'), n=4.03218, w0=(411,'kJ/mol'), E0=(75.1056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27623269595963523, var=1.238155257451613, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi + Total Standard Deviation in ln(k): 2.924769336163608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi +Total Standard Deviation in ln(k): 2.924769336163608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi +Total Standard Deviation in ln(k): 2.924769336163608 +""", +) + +entry( + index = 4753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_N-Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi", + kinetics = ArrheniusBM(A=(3.3182e-09,'m^3/(mol*s)'), n=4.00764, w0=(411,'kJ/mol'), E0=(71.7662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20528451209236045, var=16.73389532876215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_N-Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_N-Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi + Total Standard Deviation in ln(k): 8.71657688042096"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_N-Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi +Total Standard Deviation in ln(k): 8.71657688042096""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Ext-7R!H-R_N-Sp-9BrBrCCCClClClFFIINNOOOPPSiSi=6BrBrCCCCClClClClFFIINNOOOOPPSiSi +Total Standard Deviation in ln(k): 8.71657688042096 +""", +) + +entry( + index = 4754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi", + kinetics = ArrheniusBM(A=(1.06858e-08,'m^3/(mol*s)'), n=4.06672, w0=(411,'kJ/mol'), E0=(40.2295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17172695524963016, var=2.0535254663880864, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi + Total Standard Deviation in ln(k): 3.304285635558585"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi +Total Standard Deviation in ln(k): 3.304285635558585""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi +Total Standard Deviation in ln(k): 3.304285635558585 +""", +) + +entry( + index = 4755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi", + kinetics = ArrheniusBM(A=(1.28615e-07,'m^3/(mol*s)'), n=3.65228, w0=(411,'kJ/mol'), E0=(36.964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3051762703352731, var=1.2830562056361667, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi + Total Standard Deviation in ln(k): 3.037579487723312"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi +Total Standard Deviation in ln(k): 3.037579487723312""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi +Total Standard Deviation in ln(k): 3.037579487723312 +""", +) + +entry( + index = 4756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_9BrCClFINOPSi->C", + kinetics = ArrheniusBM(A=(1.26671e-08,'m^3/(mol*s)'), n=3.77805, w0=(411,'kJ/mol'), E0=(47.9643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35873847244320756, var=54.08631312635481, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_9BrCClFINOPSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_9BrCClFINOPSi->C + Total Standard Deviation in ln(k): 15.644855809364483"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_9BrCClFINOPSi->C +Total Standard Deviation in ln(k): 15.644855809364483""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_9BrCClFINOPSi->C +Total Standard Deviation in ln(k): 15.644855809364483 +""", +) + +entry( + index = 4757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_N-9BrCClFINOPSi->C", + kinetics = ArrheniusBM(A=(6.13865e-09,'m^3/(mol*s)'), n=4.0377, w0=(411,'kJ/mol'), E0=(32.8151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4024563201997861, var=1.1849637317228837e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_N-9BrCClFINOPSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_N-9BrCClFINOPSi->C + Total Standard Deviation in ln(k): 1.0112036853817055"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_N-9BrCClFINOPSi->C +Total Standard Deviation in ln(k): 1.0112036853817055""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_Ext-6CClO-R_N-9R!H->S_N-Sp-9BrBrBrCCCCCClClClClClFFFIIINNNOOOOOPPPSiSiSi#6BrBrBrCCCCCCClClClClClClFFFIIINNNOOOOOOPPPSiSiSi_N-9BrCClFINOPSi->C +Total Standard Deviation in ln(k): 1.0112036853817055 +""", +) + +entry( + index = 4758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_6CClO->C", + kinetics = ArrheniusBM(A=(1.47259e-06,'m^3/(mol*s)'), n=3.64661, w0=(411,'kJ/mol'), E0=(41.8004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6309007371824783, var=1.7115220204997472, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_6CClO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_6CClO->C + Total Standard Deviation in ln(k): 4.207875429191616"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_6CClO->C +Total Standard Deviation in ln(k): 4.207875429191616""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_6CClO->C +Total Standard Deviation in ln(k): 4.207875429191616 +""", +) + +entry( + index = 4759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_N-6CClO->C", + kinetics = ArrheniusBM(A=(3.93746e-09,'m^3/(mol*s)'), n=4.54856, w0=(411,'kJ/mol'), E0=(33.6054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_N-6CClO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_N-6CClO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_N-6CClO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_Ext-1C-R_N-6CClO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_6CClO->O", + kinetics = ArrheniusBM(A=(3.61901e-10,'m^3/(mol*s)'), n=4.55646, w0=(411,'kJ/mol'), E0=(31.2092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1593351446034353, var=4.672189989178076e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_6CClO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_6CClO->O + Total Standard Deviation in ln(k): 0.4003532623549337"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_6CClO->O +Total Standard Deviation in ln(k): 0.4003532623549337""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_6CClO->O +Total Standard Deviation in ln(k): 0.4003532623549337 +""", +) + +entry( + index = 4761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O", + kinetics = ArrheniusBM(A=(3.7013e-10,'m^3/(mol*s)'), n=4.5573, w0=(411,'kJ/mol'), E0=(42.6391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.059145627143803454, var=4.880649390708857, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O + Total Standard Deviation in ln(k): 4.577506289637537"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O +Total Standard Deviation in ln(k): 4.577506289637537""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O +Total Standard Deviation in ln(k): 4.577506289637537 +""", +) + +entry( + index = 4762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R", + kinetics = ArrheniusBM(A=(5.05541e-11,'m^3/(mol*s)'), n=4.72613, w0=(411,'kJ/mol'), E0=(48.0163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05014642876176347, var=4.661619352773124, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R + Total Standard Deviation in ln(k): 4.454376169799703"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R +Total Standard Deviation in ln(k): 4.454376169799703""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R +Total Standard Deviation in ln(k): 4.454376169799703 +""", +) + +entry( + index = 4763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.88843e-07,'m^3/(mol*s)'), n=3.54742, w0=(411,'kJ/mol'), E0=(66.5581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1728736750838864, var=9.829091257734406, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.719477401526014"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.719477401526014""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.719477401526014 +""", +) + +entry( + index = 4764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl", + kinetics = ArrheniusBM(A=(1.72259e-08,'m^3/(mol*s)'), n=3.889, w0=(411,'kJ/mol'), E0=(52.6132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27305007119458535, var=12.606683977247283, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl + Total Standard Deviation in ln(k): 7.804046257461304"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 7.804046257461304""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 7.804046257461304 +""", +) + +entry( + index = 4765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl", + kinetics = ArrheniusBM(A=(9.07577e-10,'m^3/(mol*s)'), n=4.4047, w0=(411,'kJ/mol'), E0=(69.5748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04110576143086987, var=49.54352914475264, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl + Total Standard Deviation in ln(k): 14.214042557850739"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 14.214042557850739""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_Ext-7R!H-R_N-Sp-8R!H=6CCClCl +Total Standard Deviation in ln(k): 14.214042557850739 +""", +) + +entry( + index = 4766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C", + kinetics = ArrheniusBM(A=(7.65375e-09,'m^3/(mol*s)'), n=4.18226, w0=(411,'kJ/mol'), E0=(49.6057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12428632653706559, var=0.9137444088944985, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C + Total Standard Deviation in ln(k): 2.2286030422316823"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C +Total Standard Deviation in ln(k): 2.2286030422316823""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C +Total Standard Deviation in ln(k): 2.2286030422316823 +""", +) + +entry( + index = 4767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_Sp-8C#6CCCClClCl", + kinetics = ArrheniusBM(A=(2.85103e-08,'m^3/(mol*s)'), n=4.03977, w0=(411,'kJ/mol'), E0=(46.2492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2035839900594729, var=0.5837382217934892, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_Sp-8C#6CCCClClCl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_Sp-8C#6CCCClClCl + Total Standard Deviation in ln(k): 2.043190556058467"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_Sp-8C#6CCCClClCl +Total Standard Deviation in ln(k): 2.043190556058467""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_Sp-8C#6CCCClClCl +Total Standard Deviation in ln(k): 2.043190556058467 +""", +) + +entry( + index = 4768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl", + kinetics = ArrheniusBM(A=(5.5491e-09,'m^3/(mol*s)'), n=4.21169, w0=(411,'kJ/mol'), E0=(51.6473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08879960295298546, var=0.9988654120908704, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl + Total Standard Deviation in ln(k): 2.2267120608206197"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl +Total Standard Deviation in ln(k): 2.2267120608206197""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl +Total Standard Deviation in ln(k): 2.2267120608206197 +""", +) + +entry( + index = 4769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_6CCl-inRing", + kinetics = ArrheniusBM(A=(5.49944e-09,'m^3/(mol*s)'), n=4.21257, w0=(411,'kJ/mol'), E0=(50.1359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06079248444976824, var=2.288085068025012, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_6CCl-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_6CCl-inRing + Total Standard Deviation in ln(k): 3.185190914330498"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_6CCl-inRing +Total Standard Deviation in ln(k): 3.185190914330498""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_6CCl-inRing +Total Standard Deviation in ln(k): 3.185190914330498 +""", +) + +entry( + index = 4770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_N-6CCl-inRing", + kinetics = ArrheniusBM(A=(7.66161e-09,'m^3/(mol*s)'), n=4.17179, w0=(411,'kJ/mol'), E0=(53.5008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12091821130777523, var=3.804795979993918, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_N-6CCl-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_N-6CCl-inRing + Total Standard Deviation in ln(k): 4.214228037331257"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_N-6CCl-inRing +Total Standard Deviation in ln(k): 4.214228037331257""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_8R!H->C_N-Sp-8C#6CCCClClCl_N-6CCl-inRing +Total Standard Deviation in ln(k): 4.214228037331257 +""", +) + +entry( + index = 4771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.36653e-07,'m^3/(mol*s)'), n=3.63044, w0=(411,'kJ/mol'), E0=(53.3099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11373752304154038, var=17.193485076724805, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C + Total Standard Deviation in ln(k): 8.598412187463465"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C +Total Standard Deviation in ln(k): 8.598412187463465""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C +Total Standard Deviation in ln(k): 8.598412187463465 +""", +) + +entry( + index = 4772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_7R!H->C", + kinetics = ArrheniusBM(A=(5.1995e-09,'m^3/(mol*s)'), n=4.14404, w0=(411,'kJ/mol'), E0=(65.7614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11909971657523526, var=27.7920967839778, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_7R!H->C + Total Standard Deviation in ln(k): 10.867850023801777"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 10.867850023801777""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_7R!H->C +Total Standard Deviation in ln(k): 10.867850023801777 +""", +) + +entry( + index = 4773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.0120337,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(33.3596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_Ext-6CCl-R_N-8R!H->C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C", + kinetics = ArrheniusBM(A=(1.39518e-09,'m^3/(mol*s)'), n=4.34969, w0=(411,'kJ/mol'), E0=(42.708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.455960747904988, var=5.132822545550368, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C + Total Standard Deviation in ln(k): 8.200067173124484"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C +Total Standard Deviation in ln(k): 8.200067173124484""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C +Total Standard Deviation in ln(k): 8.200067173124484 +""", +) + +entry( + index = 4775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_7R!H->C", + kinetics = ArrheniusBM(A=(1.4132e-07,'m^3/(mol*s)'), n=3.90669, w0=(411,'kJ/mol'), E0=(42.6073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3907062885133356, var=1.965969361860027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_7R!H->C + Total Standard Deviation in ln(k): 3.792573875563606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_7R!H->C +Total Standard Deviation in ln(k): 3.792573875563606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_7R!H->C +Total Standard Deviation in ln(k): 3.792573875563606 +""", +) + +entry( + index = 4776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_N-7R!H->C", + kinetics = ArrheniusBM(A=(6.07959e-11,'m^3/(mol*s)'), n=4.71807, w0=(411,'kJ/mol'), E0=(40.0487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_6CCl->C_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_N-6CCl->C", + kinetics = ArrheniusBM(A=(5.46539e-10,'m^3/(mol*s)'), n=4.64198, w0=(411,'kJ/mol'), E0=(36.5826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_N-6CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_N-6CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_Ext-1C-R_N-6CClO->O_N-6CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C", + kinetics = ArrheniusBM(A=(4.9775e-06,'m^3/(mol*s)'), n=3.45283, w0=(411,'kJ/mol'), E0=(52.9318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0012945896910543798, var=2.5709134479051725, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C + Total Standard Deviation in ln(k): 3.217658644233465"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C +Total Standard Deviation in ln(k): 3.217658644233465""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C +Total Standard Deviation in ln(k): 3.217658644233465 +""", +) + +entry( + index = 4779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(5.5297e-06,'m^3/(mol*s)'), n=3.43734, w0=(411,'kJ/mol'), E0=(53.0343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015778049072349625, var=2.719604966248851, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R + Total Standard Deviation in ln(k): 3.3456970293729165"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R +Total Standard Deviation in ln(k): 3.3456970293729165""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R +Total Standard Deviation in ln(k): 3.3456970293729165 +""", +) + +entry( + index = 4780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.71663e-05,'m^3/(mol*s)'), n=3.37965, w0=(411,'kJ/mol'), E0=(53.9767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02825135632055823, var=1.3580900663036068, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 2.407243858129302"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 2.407243858129302""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 2.407243858129302 +""", +) + +entry( + index = 4781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_Sp-7C-6C", + kinetics = ArrheniusBM(A=(4.11793e-09,'m^3/(mol*s)'), n=4.43304, w0=(411,'kJ/mol'), E0=(42.7537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09807534833998377, var=1.1632896934919104e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_Sp-7C-6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_Sp-7C-6C + Total Standard Deviation in ln(k): 0.24642731077256438"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_Sp-7C-6C +Total Standard Deviation in ln(k): 0.24642731077256438""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_Sp-7C-6C +Total Standard Deviation in ln(k): 0.24642731077256438 +""", +) + +entry( + index = 4782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C", + kinetics = ArrheniusBM(A=(5.92999e-09,'m^3/(mol*s)'), n=4.24346, w0=(411,'kJ/mol'), E0=(55.3554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02460557554595245, var=1.9936144673049476, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C + Total Standard Deviation in ln(k): 2.892417027695332"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C +Total Standard Deviation in ln(k): 2.892417027695332""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C +Total Standard Deviation in ln(k): 2.892417027695332 +""", +) + +entry( + index = 4783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_Sp-7C#6C", + kinetics = ArrheniusBM(A=(8.52838e-09,'m^3/(mol*s)'), n=4.26454, w0=(411,'kJ/mol'), E0=(50.0843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021725157044255063, var=0.1846184895430339, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_Sp-7C#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_Sp-7C#6C + Total Standard Deviation in ln(k): 0.9159654295815398"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_Sp-7C#6C +Total Standard Deviation in ln(k): 0.9159654295815398""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_Sp-7C#6C +Total Standard Deviation in ln(k): 0.9159654295815398 +""", +) + +entry( + index = 4784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C", + kinetics = ArrheniusBM(A=(1.46904e-09,'m^3/(mol*s)'), n=4.38394, w0=(411,'kJ/mol'), E0=(56.6774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06169768625347372, var=1.9045568520227796, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C + Total Standard Deviation in ln(k): 2.9216676466353744"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C +Total Standard Deviation in ln(k): 2.9216676466353744""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C +Total Standard Deviation in ln(k): 2.9216676466353744 +""", +) + +entry( + index = 4785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_6C-inRing", + kinetics = ArrheniusBM(A=(1.09256e-09,'m^3/(mol*s)'), n=4.46635, w0=(411,'kJ/mol'), E0=(56.1207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1268437249028571, var=10.392748410790526, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_6C-inRing + Total Standard Deviation in ln(k): 6.7815248516957105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_6C-inRing +Total Standard Deviation in ln(k): 6.7815248516957105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_6C-inRing +Total Standard Deviation in ln(k): 6.7815248516957105 +""", +) + +entry( + index = 4786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(1.45e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(56.9024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.551115123164349e-17, var=1.54691309430765e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_N-6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_N-6C-inRing + Total Standard Deviation in ln(k): 7.898734189256874e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_N-6C-inRing +Total Standard Deviation in ln(k): 7.898734189256874e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_7R!H->C_N-Sp-7C-6C_N-Sp-7C#6C_N-6C-inRing +Total Standard Deviation in ln(k): 7.898734189256874e-14 +""", +) + +entry( + index = 4787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.17471e-07,'m^3/(mol*s)'), n=3.6723, w0=(411,'kJ/mol'), E0=(50.0294,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09432817302457637, var=0.6372409431534742, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.8373328016581798"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.8373328016581798""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.8373328016581798 +""", +) + +entry( + index = 4788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S", + kinetics = ArrheniusBM(A=(3.18884e-09,'m^3/(mol*s)'), n=4.23625, w0=(411,'kJ/mol'), E0=(63.2665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08642710786587746, var=3.3232137120829677, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S + Total Standard Deviation in ln(k): 3.8717221923998872"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 3.8717221923998872""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 3.8717221923998872 +""", +) + +entry( + index = 4789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S", + kinetics = ArrheniusBM(A=(1.11609e-09,'m^3/(mol*s)'), n=4.32519, w0=(411,'kJ/mol'), E0=(42.198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1300668654168473, var=0.018365648020167175, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S + Total Standard Deviation in ln(k): 0.5984827015460469"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 0.5984827015460469""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S +Total Standard Deviation in ln(k): 0.5984827015460469 +""", +) + +entry( + index = 4790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S_Ext-6C-R", + kinetics = ArrheniusBM(A=(4.45094e-09,'m^3/(mol*s)'), n=4.08194, w0=(411,'kJ/mol'), E0=(39.5231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6CClO->C_Ext-6C-R_N-7R!H->C_N-7BrClFINOPSSi->S_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6CClO->C", + kinetics = ArrheniusBM(A=(1.12578e-09,'m^3/(mol*s)'), n=4.81891, w0=(411,'kJ/mol'), E0=(47.2087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6CClO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6CClO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6CClO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6CClO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.42345e-07,'m^3/(mol*s)'), n=3.86323, w0=(411,'kJ/mol'), E0=(48.9525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4679061330112848, var=0.9055521447824716, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.083359546028533"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.083359546028533""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.083359546028533 +""", +) + +entry( + index = 4793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(8.51894e-07,'m^3/(mol*s)'), n=3.71167, w0=(411,'kJ/mol'), E0=(55.615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4981804817554815, var=0.005031803725546928, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.3939160527348307"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.3939160527348307""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.3939160527348307 +""", +) + +entry( + index = 4794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.29845e-06,'m^3/(mol*s)'), n=3.56412, w0=(411,'kJ/mol'), E0=(45.8201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.542424053412062, var=14.00910097547606, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 8.866344017475313"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.866344017475313""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 8.866344017475313 +""", +) + +entry( + index = 4795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.63292e-07,'m^3/(mol*s)'), n=3.71402, w0=(411,'kJ/mol'), E0=(51.8033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4443724653167701, var=1.1296021611580234, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.2472011764224304"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2472011764224304""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2472011764224304 +""", +) + +entry( + index = 4796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.14745e-06,'m^3/(mol*s)'), n=3.56412, w0=(411,'kJ/mol'), E0=(64.8047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6176776861606206, var=5.3953205252156895, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.208518395934954"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.208518395934954""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.208518395934954 +""", +) + +entry( + index = 4797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(7.56715e-07,'m^3/(mol*s)'), n=3.54545, w0=(411,'kJ/mol'), E0=(51.1995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5880440863290073, var=6.149674242592736, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Sp-6R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 6.448947350665518"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 6.448947350665518""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 6.448947350665518 +""", +) + +entry( + index = 4798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(0.00061987,'m^3/(mol*s)'), n=3.33247, w0=(411,'kJ/mol'), E0=(45.9409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3798176966072373, var=24.044787214240856, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 15.80975699190016"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 15.80975699190016""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_Sp-5C=4C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 15.80975699190016 +""", +) + +entry( + index = 4799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C", + kinetics = ArrheniusBM(A=(2.39976e-07,'m^3/(mol*s)'), n=3.74681, w0=(411,'kJ/mol'), E0=(57.7746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19589703098613204, var=9.328136811909879, Tref=1000.0, N=93, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C',), comment="""BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C + Total Standard Deviation in ln(k): 6.61506519704619"""), + rank = 11, + shortDesc = """BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C +Total Standard Deviation in ln(k): 6.61506519704619""", + longDesc = +""" +BM rule fitted to 93 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C +Total Standard Deviation in ln(k): 6.61506519704619 +""", +) + +entry( + index = 4800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing", + kinetics = ArrheniusBM(A=(0.000210523,'m^3/(mol*s)'), n=2.96343, w0=(411,'kJ/mol'), E0=(64.4734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3001028029112041, var=12.286151278402954, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing + Total Standard Deviation in ln(k): 7.780945677429662"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing +Total Standard Deviation in ln(k): 7.780945677429662""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing +Total Standard Deviation in ln(k): 7.780945677429662 +""", +) + +entry( + index = 4801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.51136e-09,'m^3/(mol*s)'), n=4.28794, w0=(411,'kJ/mol'), E0=(50.0143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4271731523286517, var=1.02627230542992, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.1041982296726633"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.1041982296726633""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.1041982296726633 +""", +) + +entry( + index = 4802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(5.75e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(56.5763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.08e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(53.0735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.72e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(45.3669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(1.47717e-07,'m^3/(mol*s)'), n=4.0599, w0=(411,'kJ/mol'), E0=(53.3322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40703751676304245, var=108.12545997819186, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 21.86862284872478"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 21.86862284872478""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 21.86862284872478 +""", +) + +entry( + index = 4806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.7e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(73.916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_1C-inRing_Ext-1C-R_Ext-6R!H-R_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing", + kinetics = ArrheniusBM(A=(6.31571e-08,'m^3/(mol*s)'), n=3.90728, w0=(411,'kJ/mol'), E0=(56.3863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15506824394308744, var=9.696119584746015, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing + Total Standard Deviation in ln(k): 6.632081618114217"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 6.632081618114217""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing +Total Standard Deviation in ln(k): 6.632081618114217 +""", +) + +entry( + index = 4808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.88646e-08,'m^3/(mol*s)'), n=3.96342, w0=(411,'kJ/mol'), E0=(56.0031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15381874081403576, var=9.817096634365223, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.667764586132821"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.667764586132821""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.667764586132821 +""", +) + +entry( + index = 4809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(0.00302524,'m^3/(mol*s)'), n=2.71788, w0=(411,'kJ/mol'), E0=(85.1925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25847281833491215, var=21.74124804859797, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 9.997009928148337"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 9.997009928148337""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 9.997009928148337 +""", +) + +entry( + index = 4810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.04924e-08,'m^3/(mol*s)'), n=4.29945, w0=(411,'kJ/mol'), E0=(46.6272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018989568391046936, var=2.770468645410914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.3845388546672655"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.3845388546672655""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.3845388546672655 +""", +) + +entry( + index = 4811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + kinetics = ArrheniusBM(A=(9.36952e-09,'m^3/(mol*s)'), n=4.29844, w0=(411,'kJ/mol'), E0=(59.5345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08178562171464357, var=9.680318052721166, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C + Total Standard Deviation in ln(k): 6.442865756959429"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 6.442865756959429""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 6.442865756959429 +""", +) + +entry( + index = 4812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.22412e-13,'m^3/(mol*s)'), n=5.55993, w0=(411,'kJ/mol'), E0=(49.1773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05653370505118301, var=10.515897186185745, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.643044321187106"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.643044321187106""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.643044321187106 +""", +) + +entry( + index = 4813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(5.9827e-13,'m^3/(mol*s)'), n=5.5112, w0=(411,'kJ/mol'), E0=(53.6886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015022448362198694, var=8.77563682954717, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.976512171323996"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.976512171323996""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.976512171323996 +""", +) + +entry( + index = 4814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(3.75391e-27,'m^3/(mol*s)'), n=9.59517, w0=(411,'kJ/mol'), E0=(2.9902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10075599613325381, var=6.9780515949451365, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 5.548864342338157"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.548864342338157""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.548864342338157 +""", +) + +entry( + index = 4815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.06048e-08,'m^3/(mol*s)'), n=4.18798, w0=(411,'kJ/mol'), E0=(59.3369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13118331625006072, var=8.399927252054672, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 6.139855418893767"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 6.139855418893767""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 6.139855418893767 +""", +) + +entry( + index = 4816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(7.66807e-08,'m^3/(mol*s)'), n=4.04662, w0=(411,'kJ/mol'), E0=(52.6286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2703842967913868, var=1.2706034645591022, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 2.9391159170103043"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 2.9391159170103043""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 2.9391159170103043 +""", +) + +entry( + index = 4817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(5.75596e-09,'m^3/(mol*s)'), n=4.32452, w0=(411,'kJ/mol'), E0=(66.0419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0014474884787897661, var=38.878968445789305, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 12.50376191251064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 12.50376191251064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 12.50376191251064 +""", +) + +entry( + index = 4818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.33937e-07,'m^3/(mol*s)'), n=4.06925, w0=(411,'kJ/mol'), E0=(90.3702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25183689503174844, var=6.3569241002562595, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 5.687282804595071"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.687282804595071""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 5.687282804595071 +""", +) + +entry( + index = 4819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(4.7784e-10,'m^3/(mol*s)'), n=4.53865, w0=(411,'kJ/mol'), E0=(42.3525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17436930636978046, var=114.02935160402905, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 21.84558249170676"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.84558249170676""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 21.84558249170676 +""", +) + +entry( + index = 4820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.000209316,'m^3/(mol*s)'), n=3.0442, w0=(411,'kJ/mol'), E0=(100.533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27064175342119773, var=37.98055549471725, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + Total Standard Deviation in ln(k): 13.034859201096086"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 13.034859201096086""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 13.034859201096086 +""", +) + +entry( + index = 4821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00137096,'m^3/(mol*s)'), n=2.79264, w0=(411,'kJ/mol'), E0=(102.795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.299985173371329, var=48.22581753713081, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 14.67557641638183"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.67557641638183""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 14.67557641638183 +""", +) + +entry( + index = 4822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.84023,'m^3/(mol*s)'), n=1.80584, w0=(411,'kJ/mol'), E0=(112.154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37878011826909835, var=92.79850276866559, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 20.263718680296954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 20.263718680296954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 20.263718680296954 +""", +) + +entry( + index = 4823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(4.14144e-08,'m^3/(mol*s)'), n=4.04704, w0=(411,'kJ/mol'), E0=(53.937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1356739313069259, var=59.775199870513966, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 15.840382830555308"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 15.840382830555308""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 15.840382830555308 +""", +) + +entry( + index = 4824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.81222e-08,'m^3/(mol*s)'), n=4.17824, w0=(411,'kJ/mol'), E0=(128.521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13038005381560797, var=298.75184153982156, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 34.978309810933474"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 34.978309810933474""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 34.978309810933474 +""", +) + +entry( + index = 4825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(5.39047e-08,'m^3/(mol*s)'), n=4.04204, w0=(411,'kJ/mol'), E0=(86.2851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24928666053366338, var=159.32589341124583, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 25.930988829965706"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 25.930988829965706""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 25.930988829965706 +""", +) + +entry( + index = 4826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.1836e-08,'m^3/(mol*s)'), n=4.17829, w0=(411,'kJ/mol'), E0=(95.0895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13045167021193765, var=241.93665852392218, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 31.510045253771334"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 31.510045253771334""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 31.510045253771334 +""", +) + +entry( + index = 4827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(6.04404e-14,'m^3/(mol*s)'), n=5.56415, w0=(411,'kJ/mol'), E0=(34.0484,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016486509117796012, var=5.2293328258278535, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 4.625798345237424"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 4.625798345237424""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 4.625798345237424 +""", +) + +entry( + index = 4828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S", + kinetics = ArrheniusBM(A=(6.06566e-14,'m^3/(mol*s)'), n=5.59706, w0=(411,'kJ/mol'), E0=(23.2052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03199737770648317, var=1.311359308490992, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S + Total Standard Deviation in ln(k): 2.376109730071946"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S +Total Standard Deviation in ln(k): 2.376109730071946""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S +Total Standard Deviation in ln(k): 2.376109730071946 +""", +) + +entry( + index = 4829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.96406e-14,'m^3/(mol*s)'), n=5.68263, w0=(411,'kJ/mol'), E0=(21.1801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029165691491190054, var=1.4251059527192675, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 2.46648929622104"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.46648929622104""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 2.46648929622104 +""", +) + +entry( + index = 4830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.21854e-13,'m^3/(mol*s)'), n=5.4994, w0=(411,'kJ/mol'), E0=(23.9272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02608354290931354, var=1.2059621083346366, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.2670625488664515"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2670625488664515""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2670625488664515 +""", +) + +entry( + index = 4831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.07785e-09,'m^3/(mol*s)'), n=4.20822, w0=(411,'kJ/mol'), E0=(32.8613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.087928832656577, var=0.07776388542805902, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 0.7799706824660116"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.7799706824660116""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.7799706824660116 +""", +) + +entry( + index = 4832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.9927e-09,'m^3/(mol*s)'), n=4.05166, w0=(411,'kJ/mol'), E0=(28.0652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17098778605896384, var=0.41089390108473384, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 1.7146729115107577"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.7146729115107577""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.7146729115107577 +""", +) + +entry( + index = 4833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(8.49896e-16,'m^3/(mol*s)'), n=6.17559, w0=(411,'kJ/mol'), E0=(13.9557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16482200924436774, var=0.7823223084681086, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 2.1872934948047567"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.1872934948047567""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.1872934948047567 +""", +) + +entry( + index = 4834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.07373e-13,'m^3/(mol*s)'), n=5.52924, w0=(411,'kJ/mol'), E0=(3.6349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11475167913349887, var=0.8606652377055946, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.1481545346818334"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.1481545346818334""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.1481545346818334 +""", +) + +entry( + index = 4835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.8075e-08,'m^3/(mol*s)'), n=3.95429, w0=(411,'kJ/mol'), E0=(32.5094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1453451728970354, var=0.38223986368369245, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C + Total Standard Deviation in ln(k): 1.604627364921661"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 1.604627364921661""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C +Total Standard Deviation in ln(k): 1.604627364921661 +""", +) + +entry( + index = 4836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(8.41035e-08,'m^3/(mol*s)'), n=3.80484, w0=(411,'kJ/mol'), E0=(27.2036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(2.07008e-08,'m^3/(mol*s)'), n=4.09906, w0=(411,'kJ/mol'), E0=(34.2962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12912470287625794, var=1.4494024958764822, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 2.7379572046224396"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 2.7379572046224396""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 2.7379572046224396 +""", +) + +entry( + index = 4838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.06432e-09,'m^3/(mol*s)'), n=4.15133, w0=(411,'kJ/mol'), E0=(43.8311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11969023905395258, var=3.6535915911979657, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C + Total Standard Deviation in ln(k): 4.132654143642604"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 4.132654143642604""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1C-R_N-8R!H->C +Total Standard Deviation in ln(k): 4.132654143642604 +""", +) + +entry( + index = 4839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C", + kinetics = ArrheniusBM(A=(1.11637e-09,'m^3/(mol*s)'), n=4.47003, w0=(411,'kJ/mol'), E0=(38.4001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03351265370620322, var=1.6228221300388024, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C + Total Standard Deviation in ln(k): 2.6380353865273505"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 2.6380353865273505""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C +Total Standard Deviation in ln(k): 2.6380353865273505 +""", +) + +entry( + index = 4840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(4.61734e-09,'m^3/(mol*s)'), n=4.2287, w0=(411,'kJ/mol'), E0=(39.4631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11579390966508547, var=2.496944510536937, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 3.4587663178079358"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.4587663178079358""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 3.4587663178079358 +""", +) + +entry( + index = 4841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(3.72912e-09,'m^3/(mol*s)'), n=4.38462, w0=(411,'kJ/mol'), E0=(40.3192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019510882816454998, var=5.515512921152003, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 4.757168542987497"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.757168542987497""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 4.757168542987497 +""", +) + +entry( + index = 4842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C", + kinetics = ArrheniusBM(A=(6.39722e-08,'m^3/(mol*s)'), n=3.9345, w0=(411,'kJ/mol'), E0=(51.4704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24361484518474236, var=2.202542951075112e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C + Total Standard Deviation in ln(k): 0.6215060748242138"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 0.6215060748242138""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-7R!H-R_N-7R!H-inRing_N-8R!H->C +Total Standard Deviation in ln(k): 0.6215060748242138 +""", +) + +entry( + index = 4843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.82009e-08,'m^3/(mol*s)'), n=3.91387, w0=(411,'kJ/mol'), E0=(35.0497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3667001975313645, var=31.530636610807417, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 12.178375242765663"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 12.178375242765663""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_6R!H->S_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 12.178375242765663 +""", +) + +entry( + index = 4844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S", + kinetics = ArrheniusBM(A=(2.51282e-24,'m^3/(mol*s)'), n=8.5201, w0=(411,'kJ/mol'), E0=(8.3493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29309430484853677, var=5.109123657188478, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S + Total Standard Deviation in ln(k): 5.267794856652946"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S +Total Standard Deviation in ln(k): 5.267794856652946""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S +Total Standard Deviation in ln(k): 5.267794856652946 +""", +) + +entry( + index = 4845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing", + kinetics = ArrheniusBM(A=(3.55031e-10,'m^3/(mol*s)'), n=4.42901, w0=(411,'kJ/mol'), E0=(41.9514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04653654647777555, var=0.9177573723771628, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing + Total Standard Deviation in ln(k): 2.037455265740624"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing +Total Standard Deviation in ln(k): 2.037455265740624""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing +Total Standard Deviation in ln(k): 2.037455265740624 +""", +) + +entry( + index = 4846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.16004e-10,'m^3/(mol*s)'), n=4.44598, w0=(411,'kJ/mol'), E0=(37.8428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00878905091520949, var=0.6976206751187563, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 1.6965117490606394"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.6965117490606394""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.6965117490606394 +""", +) + +entry( + index = 4847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.40827e-11,'m^3/(mol*s)'), n=4.49747, w0=(411,'kJ/mol'), E0=(33.8843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04484710263472902, var=2.5656381329400233, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.323787519454587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.323787519454587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_6C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.323787519454587 +""", +) + +entry( + index = 4848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing", + kinetics = ArrheniusBM(A=(1.5143e-24,'m^3/(mol*s)'), n=8.59042, w0=(411,'kJ/mol'), E0=(8.21697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26613529470767666, var=6.104643781514155, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing + Total Standard Deviation in ln(k): 5.621896342652075"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing +Total Standard Deviation in ln(k): 5.621896342652075""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing +Total Standard Deviation in ln(k): 5.621896342652075 +""", +) + +entry( + index = 4849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R", + kinetics = ArrheniusBM(A=(8.15317e-26,'m^3/(mol*s)'), n=8.92349, w0=(411,'kJ/mol'), E0=(7.53791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35551347675132433, var=6.622405064000578, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R + Total Standard Deviation in ln(k): 6.052242007748103"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 6.052242007748103""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 6.052242007748103 +""", +) + +entry( + index = 4850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.70033e-25,'m^3/(mol*s)'), n=8.84912, w0=(411,'kJ/mol'), E0=(-1.86822e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4662126659880567, var=5.693311280204241, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 5.954818951233798"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 5.954818951233798""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 5.954818951233798 +""", +) + +entry( + index = 4851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.49899e-24,'m^3/(mol*s)'), n=8.36018, w0=(411,'kJ/mol'), E0=(2.23727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40138509450751203, var=7.303273387512251, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.426215438967642"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.426215438967642""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.426215438967642 +""", +) + +entry( + index = 4852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.89516e-08,'m^3/(mol*s)'), n=3.71898, w0=(411,'kJ/mol'), E0=(69.5616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1926318111967971, var=8.555496386254054, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.347805552218973"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.347805552218973""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.347805552218973 +""", +) + +entry( + index = 4853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.88748e-11,'m^3/(mol*s)'), n=4.55207, w0=(411,'kJ/mol'), E0=(69.2184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.164112412584831, var=5.200418352879709, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.984025973869875"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.984025973869875""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.984025973869875 +""", +) + +entry( + index = 4854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_Sp-7C=6C", + kinetics = ArrheniusBM(A=(4.2262e-10,'m^3/(mol*s)'), n=4.10764, w0=(411,'kJ/mol'), E0=(71.6243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.233714943867083, var=6.349868889611902, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_Sp-7C=6C + Total Standard Deviation in ln(k): 5.638944610600478"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_Sp-7C=6C +Total Standard Deviation in ln(k): 5.638944610600478""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_Sp-7C=6C +Total Standard Deviation in ln(k): 5.638944610600478 +""", +) + +entry( + index = 4855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(5.51265e-09,'m^3/(mol*s)'), n=4.0831, w0=(411,'kJ/mol'), E0=(74.8809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1745854468440644, var=11.823893350728271, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_N-Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_N-Sp-7C=6C + Total Standard Deviation in ln(k): 7.332116606758422"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_N-Sp-7C=6C +Total Standard Deviation in ln(k): 7.332116606758422""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R_N-Sp-7C=6C +Total Standard Deviation in ln(k): 7.332116606758422 +""", +) + +entry( + index = 4856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-7C=6C", + kinetics = ArrheniusBM(A=(4.64704e-09,'m^3/(mol*s)'), n=3.96446, w0=(411,'kJ/mol'), E0=(41.3174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19724978254533151, var=15.745747934147635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-7C=6C + Total Standard Deviation in ln(k): 8.450574128727368"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-7C=6C +Total Standard Deviation in ln(k): 8.450574128727368""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_Sp-7C=6C +Total Standard Deviation in ln(k): 8.450574128727368 +""", +) + +entry( + index = 4857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(1.50947e-09,'m^3/(mol*s)'), n=4.48017, w0=(411,'kJ/mol'), E0=(72.8172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05509101592607988, var=40.86121616702407, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-7C=6C + Total Standard Deviation in ln(k): 12.953243277040686"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-7C=6C +Total Standard Deviation in ln(k): 12.953243277040686""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Ext-8R!H-R_N-Sp-7C=6C +Total Standard Deviation in ln(k): 12.953243277040686 +""", +) + +entry( + index = 4858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C", + kinetics = ArrheniusBM(A=(1.7997e-10,'m^3/(mol*s)'), n=4.3854, w0=(411,'kJ/mol'), E0=(39.1497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1478843336395761, var=12.041269713991342, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C + Total Standard Deviation in ln(k): 7.328106193294405"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C +Total Standard Deviation in ln(k): 7.328106193294405""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C +Total Standard Deviation in ln(k): 7.328106193294405 +""", +) + +entry( + index = 4859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.41605e-09,'m^3/(mol*s)'), n=3.85351, w0=(411,'kJ/mol'), E0=(39.1914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.287597677465349, var=61.679986820950525, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C_Ext-1C-R + Total Standard Deviation in ln(k): 16.467116375964213"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C_Ext-1C-R +Total Standard Deviation in ln(k): 16.467116375964213""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_Sp-7C=6C_Ext-1C-R +Total Standard Deviation in ln(k): 16.467116375964213 +""", +) + +entry( + index = 4860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(1.51969e-08,'m^3/(mol*s)'), n=4.09617, w0=(411,'kJ/mol'), E0=(41.4614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15279343690313088, var=0.8235783380841563, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C + Total Standard Deviation in ln(k): 2.2032245874797556"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C +Total Standard Deviation in ln(k): 2.2032245874797556""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C +Total Standard Deviation in ln(k): 2.2032245874797556 +""", +) + +entry( + index = 4861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.16056e-09,'m^3/(mol*s)'), n=4.14218, w0=(411,'kJ/mol'), E0=(37.5351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13233380234410685, var=3.7562953601434996, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C_Ext-1C-R + Total Standard Deviation in ln(k): 4.217907015161352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C_Ext-1C-R +Total Standard Deviation in ln(k): 4.217907015161352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Ext-1C-R_N-Sp-7C=6C_Ext-1C-R +Total Standard Deviation in ln(k): 4.217907015161352 +""", +) + +entry( + index = 4862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C", + kinetics = ArrheniusBM(A=(3.908e-10,'m^3/(mol*s)'), n=4.41546, w0=(411,'kJ/mol'), E0=(49.1589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018111993073492892, var=0.18461894178647562, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C + Total Standard Deviation in ln(k): 0.9068881831692033"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 0.9068881831692033""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 0.9068881831692033 +""", +) + +entry( + index = 4863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(5.71e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(48.9528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.2751579226438852e-15, var=1.2871313374570472e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C + Total Standard Deviation in ln(k): 8.015214390617475e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 8.015214390617475e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 8.015214390617475e-14 +""", +) + +entry( + index = 4864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.31747e-09,'m^3/(mol*s)'), n=4.30846, w0=(411,'kJ/mol'), E0=(66.3789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1870812942253276, var=3.826790070169129, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 4.3917529649943114"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.3917529649943114""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.3917529649943114 +""", +) + +entry( + index = 4865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.7298e-08,'m^3/(mol*s)'), n=3.89756, w0=(411,'kJ/mol'), E0=(72.9119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2958411472671252, var=5.0258429230083905, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.237613113788769"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.237613113788769""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.237613113788769 +""", +) + +entry( + index = 4866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.93283e-07,'m^3/(mol*s)'), n=3.73958, w0=(411,'kJ/mol'), E0=(77.9769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4704734503142501, var=3.1295040957580924, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.72855152952437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.72855152952437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-6C-R_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.72855152952437 +""", +) + +entry( + index = 4867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.33377e-08,'m^3/(mol*s)'), n=3.91666, w0=(411,'kJ/mol'), E0=(40.3778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4393926413224505, var=1.2197545331715003, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.3180811061455295"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.3180811061455295""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.3180811061455295 +""", +) + +entry( + index = 4868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.96802e-07,'m^3/(mol*s)'), n=3.72207, w0=(411,'kJ/mol'), E0=(41.4482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5566324235973195, var=7.422069876339549, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.8601691366715105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.8601691366715105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_5R!H->C_N-Sp-5C=4C_N-1C-inRing_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H->S_N-6C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.8601691366715105 +""", +) + +entry( + index = 4869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.60169e-06,'m^3/(mol*s)'), n=3.51958, w0=(411,'kJ/mol'), E0=(64.2144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14044878357210383, var=8.132385104636118, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C + Total Standard Deviation in ln(k): 6.069856973797121"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 6.069856973797121""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 6.069856973797121 +""", +) + +entry( + index = 4870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.40937e-06,'m^3/(mol*s)'), n=3.52907, w0=(411,'kJ/mol'), E0=(64.021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14403237748443187, var=8.091877471650712, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.064605010556351"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.064605010556351""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.064605010556351 +""", +) + +entry( + index = 4871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(0.00418029,'m^3/(mol*s)'), n=2.76874, w0=(411,'kJ/mol'), E0=(73.8049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1901806085275537, var=10.80759164894686, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C + Total Standard Deviation in ln(k): 7.068387594813579"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 7.068387594813579""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C +Total Standard Deviation in ln(k): 7.068387594813579 +""", +) + +entry( + index = 4872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C", + kinetics = ArrheniusBM(A=(7.04913e-05,'m^3/(mol*s)'), n=3.29166, w0=(411,'kJ/mol'), E0=(61.6533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1054416513277961, var=5.746450703407959, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C + Total Standard Deviation in ln(k): 5.070630719851528"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 5.070630719851528""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C +Total Standard Deviation in ln(k): 5.070630719851528 +""", +) + +entry( + index = 4873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.20626e-08,'m^3/(mol*s)'), n=4.32775, w0=(411,'kJ/mol'), E0=(60.4492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04016326695053399, var=0.4390466120976847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 1.4292620717502722"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.4292620717502722""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 1.4292620717502722 +""", +) + +entry( + index = 4874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.3282e-09,'m^3/(mol*s)'), n=4.52104, w0=(411,'kJ/mol'), E0=(49.9956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040163657429432946, var=5.961287828603899, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.995624491041195"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.995624491041195""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.995624491041195 +""", +) + +entry( + index = 4875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.45266e-08,'m^3/(mol*s)'), n=4.35964, w0=(411,'kJ/mol'), E0=(57.1527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08351996917625747, var=5.531166211313709, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 4.92467163200217"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 4.92467163200217""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 4.92467163200217 +""", +) + +entry( + index = 4876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.23326e-12,'m^3/(mol*s)'), n=5.5465, w0=(411,'kJ/mol'), E0=(52.0962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11703375735409616, var=6.356622979113541, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 5.348461738286802"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.348461738286802""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 5.348461738286802 +""", +) + +entry( + index = 4877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(4.09748e-08,'m^3/(mol*s)'), n=4.21306, w0=(411,'kJ/mol'), E0=(57.5908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06125961303683822, var=8.18862136485028, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 5.890621867112181"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 5.890621867112181""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 5.890621867112181 +""", +) + +entry( + index = 4878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C", + kinetics = ArrheniusBM(A=(1.48803e-07,'m^3/(mol*s)'), n=4.07491, w0=(411,'kJ/mol'), E0=(63.2701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1941321241322818, var=30.401355748998512, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C + Total Standard Deviation in ln(k): 11.541362043174937"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 11.541362043174937""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_Sp-8C=7C +Total Standard Deviation in ln(k): 11.541362043174937 +""", +) + +entry( + index = 4879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C", + kinetics = ArrheniusBM(A=(1.11394e-08,'m^3/(mol*s)'), n=4.35281, w0=(411,'kJ/mol'), E0=(51.8622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07684741413706332, var=21.920520189180582, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C + Total Standard Deviation in ln(k): 9.579124316966533"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 9.579124316966533""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_8R!H->C_N-Sp-8C=7C +Total Standard Deviation in ln(k): 9.579124316966533 +""", +) + +entry( + index = 4880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(2.59002e-07,'m^3/(mol*s)'), n=4.09755, w0=(411,'kJ/mol'), E0=(78.8669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18224641108047643, var=9.823581970384422, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 6.741265311160675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.741265311160675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 6.741265311160675 +""", +) + +entry( + index = 4881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.13631e-09,'m^3/(mol*s)'), n=4.56694, w0=(411,'kJ/mol'), E0=(24.9333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3165956298870172, var=5.100964125442579, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 5.323223545771352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.323223545771352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.323223545771352 +""", +) + +entry( + index = 4882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.33429e-06,'m^3/(mol*s)'), n=3.6799, w0=(411,'kJ/mol'), E0=(75.9898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1477969460479586, var=18.16057058283458, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C + Total Standard Deviation in ln(k): 8.914571941528884"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 8.914571941528884""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C +Total Standard Deviation in ln(k): 8.914571941528884 +""", +) + +entry( + index = 4883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.63337e-06,'m^3/(mol*s)'), n=3.47717, w0=(411,'kJ/mol'), E0=(79.8651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17068240280335595, var=22.878459811804905, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.017785408548558"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.017785408548558""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.017785408548558 +""", +) + +entry( + index = 4884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00706508,'m^3/(mol*s)'), n=2.7001, w0=(411,'kJ/mol'), E0=(94.9339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23640743098692546, var=55.77443518244488, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 15.565807925699557"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 15.565807925699557""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 15.565807925699557 +""", +) + +entry( + index = 4885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(8.01679e-08,'m^3/(mol*s)'), n=4.07533, w0=(411,'kJ/mol'), E0=(64.1151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10894019404288972, var=202.10015553004956, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 28.77342070895648"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 28.77342070895648""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 28.77342070895648 +""", +) + +entry( + index = 4886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.45254e-08,'m^3/(mol*s)'), n=4.20653, w0=(411,'kJ/mol'), E0=(99.7793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06980593990237285, var=114.09140226030568, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 21.58868425901842"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 21.58868425901842""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 21.58868425901842 +""", +) + +entry( + index = 4887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(8.71049e-08,'m^3/(mol*s)'), n=4.07033, w0=(411,'kJ/mol'), E0=(59.8473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1880005720315704, var=27.32704334378834, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 10.952170913170843"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 10.952170913170843""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 10.952170913170843 +""", +) + +entry( + index = 4888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.27336e-08,'m^3/(mol*s)'), n=4.20659, w0=(411,'kJ/mol'), E0=(72.2065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0697873922616506, var=48.278330481289764, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 14.104767696393646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 14.104767696393646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_Sp-6R!H=1C_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 14.104767696393646 +""", +) + +entry( + index = 4889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C", + kinetics = ArrheniusBM(A=(3.11637e-09,'m^3/(mol*s)'), n=4.19761, w0=(411,'kJ/mol'), E0=(56.8974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08734680709773922, var=6.138928774291879, Tref=1000.0, N=61, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C',), comment="""BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C + Total Standard Deviation in ln(k): 5.186568722206697"""), + rank = 11, + shortDesc = """BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 5.186568722206697""", + longDesc = +""" +BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C +Total Standard Deviation in ln(k): 5.186568722206697 +""", +) + +entry( + index = 4890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.6219e-09,'m^3/(mol*s)'), n=4.24883, w0=(411,'kJ/mol'), E0=(54.4275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10776491167331624, var=6.903092006741253, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 5.537954116680579"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.537954116680579""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.537954116680579 +""", +) + +entry( + index = 4891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S", + kinetics = ArrheniusBM(A=(2.97529e-21,'m^3/(mol*s)'), n=7.58156, w0=(411,'kJ/mol'), E0=(21.4912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23620602977730815, var=1.7796961382502705, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S + Total Standard Deviation in ln(k): 3.2679043779232635"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 3.2679043779232635""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S +Total Standard Deviation in ln(k): 3.2679043779232635 +""", +) + +entry( + index = 4892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing", + kinetics = ArrheniusBM(A=(2.45757e-10,'m^3/(mol*s)'), n=4.27761, w0=(411,'kJ/mol'), E0=(51.0932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.043973152519657756, var=0.9508574075857542, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing + Total Standard Deviation in ln(k): 2.0653409247931442"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing +Total Standard Deviation in ln(k): 2.0653409247931442""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing +Total Standard Deviation in ln(k): 2.0653409247931442 +""", +) + +entry( + index = 4893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.78028e-10,'m^3/(mol*s)'), n=4.07996, w0=(411,'kJ/mol'), E0=(47.59,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15494152524210403, var=4.938042185545703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.84416366898203"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.84416366898203""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.84416366898203 +""", +) + +entry( + index = 4894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.34868e-23,'m^3/(mol*s)'), n=8.29997, w0=(411,'kJ/mol'), E0=(9.33033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3510625514256899, var=1.5634401975159007, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing + Total Standard Deviation in ln(k): 3.38873938426133"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing +Total Standard Deviation in ln(k): 3.38873938426133""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing +Total Standard Deviation in ln(k): 3.38873938426133 +""", +) + +entry( + index = 4895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.31304e-22,'m^3/(mol*s)'), n=7.81632, w0=(411,'kJ/mol'), E0=(21.9634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18965990368404, var=1.0221332569048316, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.503331736774513"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.503331736774513""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.503331736774513 +""", +) + +entry( + index = 4896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.34522e-21,'m^3/(mol*s)'), n=7.65688, w0=(411,'kJ/mol'), E0=(15.1621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2825314821625034, var=0.28385374280012104, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 1.7779593723981075"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.7779593723981075""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.7779593723981075 +""", +) + +entry( + index = 4897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.79955e-21,'m^3/(mol*s)'), n=7.60662, w0=(411,'kJ/mol'), E0=(14.4133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6994250261930038, var=1.0207300006447, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.7827568835032106"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.7827568835032106""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.7827568835032106 +""", +) + +entry( + index = 4898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_8R!H->C", + kinetics = ArrheniusBM(A=(2.00105e-08,'m^3/(mol*s)'), n=3.86143, w0=(411,'kJ/mol'), E0=(53.4499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.69418e-09,'m^3/(mol*s)'), n=4.17962, w0=(411,'kJ/mol'), E0=(67.3471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12982299153981722, var=0.7587395496362059, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_N-8R!H->C + Total Standard Deviation in ln(k): 2.072426082949501"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 2.072426082949501""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 2.072426082949501 +""", +) + +entry( + index = 4900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.32039e-09,'m^3/(mol*s)'), n=4.12735, w0=(411,'kJ/mol'), E0=(51.8364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10376677018675447, var=0.8026271527941997, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 2.056751879057311"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 2.056751879057311""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_Ext-1C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 2.056751879057311 +""", +) + +entry( + index = 4901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(7.40641e-10,'m^3/(mol*s)'), n=4.38099, w0=(411,'kJ/mol'), E0=(56.6167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0005001828722072183, var=1.9060621197729781, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 2.7689981705439926"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 2.7689981705439926""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 2.7689981705439926 +""", +) + +entry( + index = 4902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(1.60208e-09,'m^3/(mol*s)'), n=4.257, w0=(411,'kJ/mol'), E0=(57.766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08081273163771147, var=1.1315614234924989, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H + Total Standard Deviation in ln(k): 2.3355815162662896"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 2.3355815162662896""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_Sp-8C=7R!H +Total Standard Deviation in ln(k): 2.3355815162662896 +""", +) + +entry( + index = 4903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H", + kinetics = ArrheniusBM(A=(7.17573e-10,'m^3/(mol*s)'), n=4.41291, w0=(411,'kJ/mol'), E0=(56.2887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07045569848496816, var=10.589913445502141, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H + Total Standard Deviation in ln(k): 6.700862767113387"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 6.700862767113387""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_8R!H->C_N-Sp-8C=7R!H +Total Standard Deviation in ln(k): 6.700862767113387 +""", +) + +entry( + index = 4904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.58311e-08,'m^3/(mol*s)'), n=3.96279, w0=(411,'kJ/mol'), E0=(69.6309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23770024906708667, var=2.3289681056490155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 3.656654401147402"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.656654401147402""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 3.656654401147402 +""", +) + +entry( + index = 4905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.35861e-08,'m^3/(mol*s)'), n=3.94217, w0=(411,'kJ/mol'), E0=(42.7568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30257694209561936, var=18.35141065740929, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 9.348237255266948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.348237255266948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_6R!H->S_N-7R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.348237255266948 +""", +) + +entry( + index = 4906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(3.81592e-06,'m^3/(mol*s)'), n=3.30179, w0=(411,'kJ/mol'), E0=(63.0603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21502538700668036, var=10.269106457645135, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S + Total Standard Deviation in ln(k): 6.964527872105701"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 6.964527872105701""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S +Total Standard Deviation in ln(k): 6.964527872105701 +""", +) + +entry( + index = 4907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.39693e-25,'m^3/(mol*s)'), n=8.76494, w0=(411,'kJ/mol'), E0=(4.07374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10557100897105393, var=12.79456955570275, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 7.436090436965062"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.436090436965062""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.436090436965062 +""", +) + +entry( + index = 4908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.6478e-26,'m^3/(mol*s)'), n=8.92409, w0=(411,'kJ/mol'), E0=(1.57271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26072626960303835, var=14.368433222751179, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R + Total Standard Deviation in ln(k): 8.254183023981813"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R +Total Standard Deviation in ln(k): 8.254183023981813""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R +Total Standard Deviation in ln(k): 8.254183023981813 +""", +) + +entry( + index = 4909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C", + kinetics = ArrheniusBM(A=(6.9248e-27,'m^3/(mol*s)'), n=9.06698, w0=(411,'kJ/mol'), E0=(1.90479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1057060099351706, var=31.936127236423875, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C + Total Standard Deviation in ln(k): 11.59476352962755"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C +Total Standard Deviation in ln(k): 11.59476352962755""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C +Total Standard Deviation in ln(k): 11.59476352962755 +""", +) + +entry( + index = 4910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C", + kinetics = ArrheniusBM(A=(1.96543e-12,'m^3/(mol*s)'), n=4.75866, w0=(411,'kJ/mol'), E0=(51.5441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07566000497512525, var=30.10696609252894, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C + Total Standard Deviation in ln(k): 11.190044817387259"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C +Total Standard Deviation in ln(k): 11.190044817387259""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C +Total Standard Deviation in ln(k): 11.190044817387259 +""", +) + +entry( + index = 4911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.41855e-10,'m^3/(mol*s)'), n=4.13594, w0=(411,'kJ/mol'), E0=(60.8827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1769759888449658, var=107.49488328124895, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C_Ext-7R!H-R + Total Standard Deviation in ln(k): 21.229704294781083"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 21.229704294781083""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_9R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 21.229704294781083 +""", +) + +entry( + index = 4912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.1884e-07,'m^3/(mol*s)'), n=3.76787, w0=(411,'kJ/mol'), E0=(64.9773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4430717567297094, var=158.9200392698922, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_N-9R!H->C + Total Standard Deviation in ln(k): 26.38563598887733"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_N-9R!H->C +Total Standard Deviation in ln(k): 26.38563598887733""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_Sp-9R!H=6C_N-9R!H->C +Total Standard Deviation in ln(k): 26.38563598887733 +""", +) + +entry( + index = 4913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C", + kinetics = ArrheniusBM(A=(1.86633e-11,'m^3/(mol*s)'), n=4.69389, w0=(411,'kJ/mol'), E0=(49.6972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009400365576111768, var=6.075196097824678, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C + Total Standard Deviation in ln(k): 4.964872564293391"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C +Total Standard Deviation in ln(k): 4.964872564293391""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C +Total Standard Deviation in ln(k): 4.964872564293391 +""", +) + +entry( + index = 4914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.65972e-10,'m^3/(mol*s)'), n=4.11139, w0=(411,'kJ/mol'), E0=(58.3501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12035063987144139, var=56.01680279446221, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_Ext-7R!H-R + Total Standard Deviation in ln(k): 15.306702679152771"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_Ext-7R!H-R +Total Standard Deviation in ln(k): 15.306702679152771""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_Ext-7R!H-R +Total Standard Deviation in ln(k): 15.306702679152771 +""", +) + +entry( + index = 4915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_6C-inRing", + kinetics = ArrheniusBM(A=(5.92973e-11,'m^3/(mol*s)'), n=4.52576, w0=(411,'kJ/mol'), E0=(49.9684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10080127015356423, var=2.882476831380287, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_6C-inRing + Total Standard Deviation in ln(k): 3.656880393375607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_6C-inRing +Total Standard Deviation in ln(k): 3.656880393375607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_6C-inRing +Total Standard Deviation in ln(k): 3.656880393375607 +""", +) + +entry( + index = 4916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(3.17457e-09,'m^3/(mol*s)'), n=4.17047, w0=(411,'kJ/mol'), E0=(52.1437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09274734338402527, var=0.37143343681319085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_N-6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_N-6C-inRing + Total Standard Deviation in ln(k): 1.4548261187291116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_N-6C-inRing +Total Standard Deviation in ln(k): 1.4548261187291116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_Ext-1C-R_Ext-6C-R_N-Sp-9R!H=6C_N-6C-inRing +Total Standard Deviation in ln(k): 1.4548261187291116 +""", +) + +entry( + index = 4917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_1C-inRing", + kinetics = ArrheniusBM(A=(2.86075e-07,'m^3/(mol*s)'), n=4.0882, w0=(411,'kJ/mol'), E0=(39.8657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3573602672780687, var=95.4522575243235, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_1C-inRing + Total Standard Deviation in ln(k): 20.484085909080658"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_1C-inRing +Total Standard Deviation in ln(k): 20.484085909080658""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_1C-inRing +Total Standard Deviation in ln(k): 20.484085909080658 +""", +) + +entry( + index = 4918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing", + kinetics = ArrheniusBM(A=(9.25221e-25,'m^3/(mol*s)'), n=8.67472, w0=(411,'kJ/mol'), E0=(14.913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27745670008092926, var=3.3498976878346576, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing + Total Standard Deviation in ln(k): 4.366339013429288"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 4.366339013429288""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing +Total Standard Deviation in ln(k): 4.366339013429288 +""", +) + +entry( + index = 4919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.22336e-14,'m^3/(mol*s)'), n=5.67826, w0=(411,'kJ/mol'), E0=(46.5476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25469956953156436, var=2.947141047451106, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R + Total Standard Deviation in ln(k): 4.081525345278169"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 4.081525345278169""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 4.081525345278169 +""", +) + +entry( + index = 4920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.27313e-25,'m^3/(mol*s)'), n=8.88541, w0=(411,'kJ/mol'), E0=(14.4695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2816791133726032, var=3.892613397945387, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C + Total Standard Deviation in ln(k): 4.663020042284455"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C +Total Standard Deviation in ln(k): 4.663020042284455""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C +Total Standard Deviation in ln(k): 4.663020042284455 +""", +) + +entry( + index = 4921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.20728e-24,'m^3/(mol*s)'), n=8.45053, w0=(411,'kJ/mol'), E0=(12.9727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17531028640495244, var=11.116093616324486, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R + Total Standard Deviation in ln(k): 7.124426487041487"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 7.124426487041487""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 7.124426487041487 +""", +) + +entry( + index = 4922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_Sp-8C=6C", + kinetics = ArrheniusBM(A=(3.1917e-09,'m^3/(mol*s)'), n=3.99275, w0=(411,'kJ/mol'), E0=(60.1931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19931148626122566, var=39.23545728458044, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_Sp-8C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_Sp-8C=6C + Total Standard Deviation in ln(k): 13.05808490843521"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_Sp-8C=6C +Total Standard Deviation in ln(k): 13.05808490843521""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_Sp-8C=6C +Total Standard Deviation in ln(k): 13.05808490843521 +""", +) + +entry( + index = 4923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_N-Sp-8C=6C", + kinetics = ArrheniusBM(A=(3.17024e-10,'m^3/(mol*s)'), n=4.50846, w0=(411,'kJ/mol'), E0=(59,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10346566948825317, var=4.523679639410726, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_N-Sp-8C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_N-Sp-8C=6C + Total Standard Deviation in ln(k): 4.52382373290064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_N-Sp-8C=6C +Total Standard Deviation in ln(k): 4.52382373290064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_Ext-7R!H-R_N-Sp-8C=6C +Total Standard Deviation in ln(k): 4.52382373290064 +""", +) + +entry( + index = 4924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(1.42457e-09,'m^3/(mol*s)'), n=4.31633, w0=(411,'kJ/mol'), E0=(57.796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01868529028110065, var=4.8358833592720964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_6C-inRing + Total Standard Deviation in ln(k): 4.455489106330426"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_6C-inRing +Total Standard Deviation in ln(k): 4.455489106330426""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_6C-inRing +Total Standard Deviation in ln(k): 4.455489106330426 +""", +) + +entry( + index = 4925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(9.59025e-10,'m^3/(mol*s)'), n=4.40177, w0=(411,'kJ/mol'), E0=(57.3491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.060274029154293196, var=0.9963961310887084, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 2.152561699957982"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.152561699957982""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.152561699957982 +""", +) + +entry( + index = 4926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_Sp-8C=6C", + kinetics = ArrheniusBM(A=(1.98704e-09,'m^3/(mol*s)'), n=4.27555, w0=(411,'kJ/mol'), E0=(60.1438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04281005402345433, var=1.609900793791639, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_Sp-8C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_Sp-8C=6C + Total Standard Deviation in ln(k): 2.6512082258055774"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_Sp-8C=6C +Total Standard Deviation in ln(k): 2.6512082258055774""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_Sp-8C=6C +Total Standard Deviation in ln(k): 2.6512082258055774 +""", +) + +entry( + index = 4927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_N-Sp-8C=6C", + kinetics = ArrheniusBM(A=(1.01711e-08,'m^3/(mol*s)'), n=4.14352, w0=(411,'kJ/mol'), E0=(57.9103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11231932973183169, var=1.6182863264080776, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_N-Sp-8C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_N-Sp-8C=6C + Total Standard Deviation in ln(k): 2.8324706192084608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_N-Sp-8C=6C +Total Standard Deviation in ln(k): 2.8324706192084608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_8R!H->C_N-6C-inRing_N-Sp-8C=6C +Total Standard Deviation in ln(k): 2.8324706192084608 +""", +) + +entry( + index = 4928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.81805e-09,'m^3/(mol*s)'), n=4.24779, w0=(411,'kJ/mol'), E0=(61.3032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04843666330054089, var=1.2577467535087314, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_N-8R!H->C + Total Standard Deviation in ln(k): 2.3699966979404894"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.3699966979404894""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_Ext-1C-R_N-6R!H->S_N-1C-inRing_Ext-6C-R_N-8R!H->C +Total Standard Deviation in ln(k): 2.3699966979404894 +""", +) + +entry( + index = 4929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.39897e-10,'m^3/(mol*s)'), n=4.5701, w0=(411,'kJ/mol'), E0=(62.6435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19496970507873218, var=26.241557565828032, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H-inRing + Total Standard Deviation in ln(k): 10.759432620809589"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H-inRing +Total Standard Deviation in ln(k): 10.759432620809589""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_6R!H-inRing +Total Standard Deviation in ln(k): 10.759432620809589 +""", +) + +entry( + index = 4930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(6.50717e-08,'m^3/(mol*s)'), n=3.94731, w0=(411,'kJ/mol'), E0=(66.7722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009231818517431482, var=5.319558163359805, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.646950059077551"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.646950059077551""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.646950059077551 +""", +) + +entry( + index = 4931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.4508e-09,'m^3/(mol*s)'), n=4.40107, w0=(411,'kJ/mol'), E0=(68.0842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04640091822831961, var=3.5781544824495275, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.9087441726014114"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9087441726014114""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9087441726014114 +""", +) + +entry( + index = 4932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C", + kinetics = ArrheniusBM(A=(4.34483e-10,'m^3/(mol*s)'), n=4.5405, w0=(411,'kJ/mol'), E0=(60.7966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07897112404511364, var=4.2455297746035034, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C + Total Standard Deviation in ln(k): 4.329113064024636"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 4.329113064024636""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 4.329113064024636 +""", +) + +entry( + index = 4933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(4.50069e-10,'m^3/(mol*s)'), n=4.44375, w0=(411,'kJ/mol'), E0=(62.8089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07410596366529336, var=3.323255687121361, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 3.840787623749529"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 3.840787623749529""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 3.840787623749529 +""", +) + +entry( + index = 4934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(3.64247e-09,'m^3/(mol*s)'), n=4.36829, w0=(411,'kJ/mol'), E0=(61.1073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060144540990905625, var=12.993721724271623, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 7.377546438706956"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 7.377546438706956""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 7.377546438706956 +""", +) + +entry( + index = 4935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.81e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(80.7512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6653345369504064e-16, var=5.069965897024689e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.4316296676278064e-13"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.4316296676278064e-13""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.4316296676278064e-13 +""", +) + +entry( + index = 4936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_6R!H->C", + kinetics = ArrheniusBM(A=(1.76169e-08,'m^3/(mol*s)'), n=4.25141, w0=(411,'kJ/mol'), E0=(55.4221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.045213610799162036, var=28.06940169884328, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_6R!H->C + Total Standard Deviation in ln(k): 10.734801559650762"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_6R!H->C +Total Standard Deviation in ln(k): 10.734801559650762""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_6R!H->C +Total Standard Deviation in ln(k): 10.734801559650762 +""", +) + +entry( + index = 4937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.35681e-10,'m^3/(mol*s)'), n=4.48727, w0=(411,'kJ/mol'), E0=(54.9299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1582610445718162, var=25.93705540502467, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_N-6R!H->C + Total Standard Deviation in ln(k): 10.607442919984988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 10.607442919984988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_N-5R!H->C_Ext-1C-R_N-Sp-6R!H=1C_N-6R!H-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 10.607442919984988 +""", +) + +entry( + index = 4938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(3.15306e-09,'m^3/(mol*s)'), n=4.21276, w0=(411,'kJ/mol'), E0=(34.663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11176882378234754, var=1.500141401190129, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 2.7362309191471197"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 2.7362309191471197""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 2.7362309191471197 +""", +) + +entry( + index = 4939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.85499e-09,'m^3/(mol*s)'), n=4.12927, w0=(411,'kJ/mol'), E0=(34.6623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12120008976746931, var=3.6421463731438743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.130441098692114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.130441098692114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.130441098692114 +""", +) + +entry( + index = 4940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(4.41852e-08,'m^3/(mol*s)'), n=4.00672, w0=(411,'kJ/mol'), E0=(38.5861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.57205e-08,'m^3/(mol*s)'), n=3.8565, w0=(411,'kJ/mol'), E0=(34.7678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(5.48679e-08,'m^3/(mol*s)'), n=4.32415, w0=(411,'kJ/mol'), E0=(36.9072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11104457797421807, var=1.4926083262379064, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 2.728238445600288"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.728238445600288""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.728238445600288 +""", +) + +entry( + index = 4943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.38984e-08,'m^3/(mol*s)'), n=4.27894, w0=(411,'kJ/mol'), E0=(35.0201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14722389138209166, var=4.647231405912155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.69160452328573"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.69160452328573""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.69160452328573 +""", +) + +entry( + index = 4944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.70875e-09,'m^3/(mol*s)'), n=4.72462, w0=(411,'kJ/mol'), E0=(29.4093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-4C-R_N-Sp-5R!H-4C_N-4C-inRing_Ext-1C-R_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing", + kinetics = ArrheniusBM(A=(4.38581e-08,'m^3/(mol*s)'), n=3.96502, w0=(411,'kJ/mol'), E0=(48.9747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03695712182836075, var=2.519954625980644, Tref=1000.0, N=110, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing',), comment="""BM rule fitted to 110 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing + Total Standard Deviation in ln(k): 3.2752467148869067"""), + rank = 11, + shortDesc = """BM rule fitted to 110 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing +Total Standard Deviation in ln(k): 3.2752467148869067""", + longDesc = +""" +BM rule fitted to 110 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing +Total Standard Deviation in ln(k): 3.2752467148869067 +""", +) + +entry( + index = 4946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.6121e-16,'m^3/(mol*s)'), n=6.27127, w0=(411,'kJ/mol'), E0=(21.6522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15607820716624218, var=5.148350545212315, Tref=1000.0, N=107, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.940895571445644"""), + rank = 11, + shortDesc = """BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.940895571445644""", + longDesc = +""" +BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.940895571445644 +""", +) + +entry( + index = 4947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_Sp-5R!H#1C", + kinetics = ArrheniusBM(A=(635316,'m^3/(mol*s)'), n=-0.132783, w0=(411,'kJ/mol'), E0=(69.7177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15185173909349617, var=71.87042338715035, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_Sp-5R!H#1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_Sp-5R!H#1C + Total Standard Deviation in ln(k): 17.376964447961665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_Sp-5R!H#1C +Total Standard Deviation in ln(k): 17.376964447961665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_Sp-5R!H#1C +Total Standard Deviation in ln(k): 17.376964447961665 +""", +) + +entry( + index = 4948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C", + kinetics = ArrheniusBM(A=(3.16879e-17,'m^3/(mol*s)'), n=6.53506, w0=(411,'kJ/mol'), E0=(19.2138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22596551908413595, var=5.499125518325728, Tref=1000.0, N=105, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C',), comment="""BM rule fitted to 105 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C + Total Standard Deviation in ln(k): 5.268899283247914"""), + rank = 11, + shortDesc = """BM rule fitted to 105 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C +Total Standard Deviation in ln(k): 5.268899283247914""", + longDesc = +""" +BM rule fitted to 105 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C +Total Standard Deviation in ln(k): 5.268899283247914 +""", +) + +entry( + index = 4949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(3.869e-07,'m^3/(mol*s)'), n=3.63807, w0=(411,'kJ/mol'), E0=(65.5989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10377587410358267, var=14.543538762067582, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C + Total Standard Deviation in ln(k): 7.905999464354361"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C +Total Standard Deviation in ln(k): 7.905999464354361""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C +Total Standard Deviation in ln(k): 7.905999464354361 +""", +) + +entry( + index = 4950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.80793e-09,'m^3/(mol*s)'), n=4.41634, w0=(411,'kJ/mol'), E0=(45.3839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.059362346427534275, var=1.6742788265627524, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.7431570606680276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.7431570606680276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.7431570606680276 +""", +) + +entry( + index = 4951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C", + kinetics = ArrheniusBM(A=(1.78678e-08,'m^3/(mol*s)'), n=4.00662, w0=(411,'kJ/mol'), E0=(48.2542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08637450647123247, var=4.354377204369101, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C + Total Standard Deviation in ln(k): 4.400331031561092"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 4.400331031561092""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 4.400331031561092 +""", +) + +entry( + index = 4952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.37271e-11,'m^3/(mol*s)'), n=4.67629, w0=(411,'kJ/mol'), E0=(49.5063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38668414795593054, var=4.192946879697667, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.076601370447125"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.076601370447125""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.076601370447125 +""", +) + +entry( + index = 4953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(2.81897e-10,'m^3/(mol*s)'), n=4.53751, w0=(411,'kJ/mol'), E0=(52.1098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31735444206018887, var=2.749078468534584, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 4.121292931184145"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 4.121292931184145""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 4.121292931184145 +""", +) + +entry( + index = 4954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.28707e-12,'m^3/(mol*s)'), n=5.16889, w0=(411,'kJ/mol'), E0=(47.7252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008401787995213886, var=5.491046036709022, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 4.718801939870205"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 4.718801939870205""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 4.718801939870205 +""", +) + +entry( + index = 4955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.7789e-09,'m^3/(mol*s)'), n=4.30262, w0=(411,'kJ/mol'), E0=(46.3537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01327547969207107, var=2.8444212188395794, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 3.4144237794515178"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 3.4144237794515178""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 3.4144237794515178 +""", +) + +entry( + index = 4956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C", + kinetics = ArrheniusBM(A=(6.50558e-09,'m^3/(mol*s)'), n=4.16351, w0=(411,'kJ/mol'), E0=(43.8898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12817660979370446, var=0.8565550285436145, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C + Total Standard Deviation in ln(k): 2.177439272948578"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 2.177439272948578""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 2.177439272948578 +""", +) + +entry( + index = 4957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(4.87726e-10,'m^3/(mol*s)'), n=4.4414, w0=(411,'kJ/mol'), E0=(48.8205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10144909899335586, var=13.573221307655436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C + Total Standard Deviation in ln(k): 7.640712731534292"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 7.640712731534292""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 7.640712731534292 +""", +) + +entry( + index = 4958, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.13378e-08,'m^3/(mol*s)'), n=4.18614, w0=(411,'kJ/mol'), E0=(74.3403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12246748206816964, var=25.607734169183637, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 10.452485663766977"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.452485663766977""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.452485663766977 +""", +) + +entry( + index = 4959, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.30289e-10,'m^3/(mol*s)'), n=4.65553, w0=(411,'kJ/mol'), E0=(33.8292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27447494316297866, var=35.77346231872022, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 12.680140604226793"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 12.680140604226793""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 12.680140604226793 +""", +) + +entry( + index = 4960, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00143921,'m^3/(mol*s)'), n=2.62491, w0=(411,'kJ/mol'), E0=(96.977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7323817691202776, var=20.330565423162497, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C + Total Standard Deviation in ln(k): 10.8793910473818"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 10.8793910473818""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 10.8793910473818 +""", +) + +entry( + index = 4961, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00303692,'m^3/(mol*s)'), n=2.51097, w0=(411,'kJ/mol'), E0=(99.3686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7377106850315784, var=20.370917757408158, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.901746424861356"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.901746424861356""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.901746424861356 +""", +) + +entry( + index = 4962, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_5OS->O", + kinetics = ArrheniusBM(A=(0.00265258,'m^3/(mol*s)'), n=2.4914, w0=(411,'kJ/mol'), E0=(147.532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_5OS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_5OS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_5OS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_5OS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4963, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O", + kinetics = ArrheniusBM(A=(0.00665174,'m^3/(mol*s)'), n=2.415, w0=(411,'kJ/mol'), E0=(98.1157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.258245061164759, var=22.027539381775174, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O + Total Standard Deviation in ln(k): 12.570344229033994"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O +Total Standard Deviation in ln(k): 12.570344229033994""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O +Total Standard Deviation in ln(k): 12.570344229033994 +""", +) + +entry( + index = 4964, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.1411e+08,'m^3/(mol*s)'), n=-0.525371, w0=(411,'kJ/mol'), E0=(115.73,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.51476525016482, var=76.4317891527892, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R + Total Standard Deviation in ln(k): 18.819831806579973"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 18.819831806579973""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 18.819831806579973 +""", +) + +entry( + index = 4965, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.79687e-08,'m^3/(mol*s)'), n=3.96065, w0=(411,'kJ/mol'), E0=(22.5143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16545836204719416, var=62.17935773461997, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 16.22384020749569"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 16.22384020749569""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 16.22384020749569 +""", +) + +entry( + index = 4966, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.38913e-09,'m^3/(mol*s)'), n=4.29512, w0=(411,'kJ/mol'), E0=(108.837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028775933378782745, var=214.92399354145172, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 29.462291471835805"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 29.462291471835805""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 29.462291471835805 +""", +) + +entry( + index = 4967, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_6R!H->C", + kinetics = ArrheniusBM(A=(3.21135e-07,'m^3/(mol*s)'), n=3.65046, w0=(411,'kJ/mol'), E0=(89.6539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.896994206175386, var=58.504157569672856, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_6R!H->C + Total Standard Deviation in ln(k): 27.637825316903726"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_6R!H->C +Total Standard Deviation in ln(k): 27.637825316903726""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_6R!H->C +Total Standard Deviation in ln(k): 27.637825316903726 +""", +) + +entry( + index = 4968, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.25221e-09,'m^3/(mol*s)'), n=4.29518, w0=(411,'kJ/mol'), E0=(79.2886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027481471644167876, var=132.38719276625912, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_N-6R!H->C + Total Standard Deviation in ln(k): 23.1354572641638"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_N-6R!H->C +Total Standard Deviation in ln(k): 23.1354572641638""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-5OS->O_N-6R!H->C +Total Standard Deviation in ln(k): 23.1354572641638 +""", +) + +entry( + index = 4969, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_5OS->O", + kinetics = ArrheniusBM(A=(0.00210333,'m^3/(mol*s)'), n=2.76993, w0=(411,'kJ/mol'), E0=(90.0202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003956584154303937, var=243.20951609118464, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_5OS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_5OS->O + Total Standard Deviation in ln(k): 31.274137635689605"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_5OS->O +Total Standard Deviation in ln(k): 31.274137635689605""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_5OS->O +Total Standard Deviation in ln(k): 31.274137635689605 +""", +) + +entry( + index = 4970, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_N-5OS->O", + kinetics = ArrheniusBM(A=(3.51229e-09,'m^3/(mol*s)'), n=4.2929, w0=(411,'kJ/mol'), E0=(71.5525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03182457903651316, var=34.04781443197898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_N-5OS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_N-5OS->O + Total Standard Deviation in ln(k): 11.777691685798098"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_N-5OS->O +Total Standard Deviation in ln(k): 11.777691685798098""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_Sp-5R!H=1C_N-5R!H->C_N-5OS->O +Total Standard Deviation in ln(k): 11.777691685798098 +""", +) + +entry( + index = 4971, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(7.5761e-16,'m^3/(mol*s)'), n=6.14154, w0=(411,'kJ/mol'), E0=(18.6563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12436388425806902, var=2.459351281836742, Tref=1000.0, N=77, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C',), comment="""BM rule fitted to 77 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C + Total Standard Deviation in ln(k): 3.4563615638090455"""), + rank = 11, + shortDesc = """BM rule fitted to 77 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 3.4563615638090455""", + longDesc = +""" +BM rule fitted to 77 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 3.4563615638090455 +""", +) + +entry( + index = 4972, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.63951e-15,'m^3/(mol*s)'), n=5.95755, w0=(411,'kJ/mol'), E0=(16.2525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08149680104265539, var=3.1780585711984, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.7786291410012818"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.7786291410012818""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.7786291410012818 +""", +) + +entry( + index = 4973, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S", + kinetics = ArrheniusBM(A=(5.02289e-11,'m^3/(mol*s)'), n=4.68476, w0=(411,'kJ/mol'), E0=(33.0637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0023715097692737037, var=1.0631443393713815, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S + Total Standard Deviation in ln(k): 2.0730186721215214"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S +Total Standard Deviation in ln(k): 2.0730186721215214""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S +Total Standard Deviation in ln(k): 2.0730186721215214 +""", +) + +entry( + index = 4974, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.33328e-10,'m^3/(mol*s)'), n=4.44551, w0=(411,'kJ/mol'), E0=(37.2008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002700045845836567, var=0.09849433333419032, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing + Total Standard Deviation in ln(k): 0.6359462196335461"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 0.6359462196335461""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing +Total Standard Deviation in ln(k): 0.6359462196335461 +""", +) + +entry( + index = 4975, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.46761e-10,'m^3/(mol*s)'), n=4.16855, w0=(411,'kJ/mol'), E0=(34.9623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07322145356016786, var=0.06573430872013518, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 0.6979615721480821"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.6979615721480821""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 0.6979615721480821 +""", +) + +entry( + index = 4976, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.34528e-11,'m^3/(mol*s)'), n=4.8801, w0=(411,'kJ/mol'), E0=(29.7456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0051514297973385, var=0.9202842019602742, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.9361146065562398"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9361146065562398""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9361146065562398 +""", +) + +entry( + index = 4977, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.06066e-13,'m^3/(mol*s)'), n=5.30137, w0=(411,'kJ/mol'), E0=(22.8271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07523501562654922, var=0.8422500635038443, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.0288619378650434"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.0288619378650434""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.0288619378650434 +""", +) + +entry( + index = 4978, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.27069e-11,'m^3/(mol*s)'), n=4.8816, w0=(411,'kJ/mol'), E0=(16.871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019365908581585607, var=1.1838159077867532, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 2.2298760731520075"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.2298760731520075""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 2.2298760731520075 +""", +) + +entry( + index = 4979, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(6.74901e-08,'m^3/(mol*s)'), n=3.83698, w0=(411,'kJ/mol'), E0=(37.9082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0581568932907838, var=0.8179211257653783, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 1.9591850419208992"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 1.9591850419208992""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 1.9591850419208992 +""", +) + +entry( + index = 4980, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(1.8732e-08,'m^3/(mol*s)'), n=4.03861, w0=(411,'kJ/mol'), E0=(35.8577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4981, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(2.7102e-09,'m^3/(mol*s)'), n=4.21595, w0=(411,'kJ/mol'), E0=(32.9057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.034673891709827404, var=2.5035111446197593, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 3.2591099251278606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 3.2591099251278606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 3.2591099251278606 +""", +) + +entry( + index = 4982, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.33689e-09,'m^3/(mol*s)'), n=4.26821, w0=(411,'kJ/mol'), E0=(47.3315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05264418867593981, var=5.08002534589484, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 4.650726493150843"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.650726493150843""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.650726493150843 +""", +) + +entry( + index = 4983, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C", + kinetics = ArrheniusBM(A=(7.72276e-11,'m^3/(mol*s)'), n=4.7234, w0=(411,'kJ/mol'), E0=(36.5481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06916045194044816, var=1.9245783420043874, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C + Total Standard Deviation in ln(k): 2.9549223719264375"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 2.9549223719264375""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 2.9549223719264375 +""", +) + +entry( + index = 4984, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(1.50648e-09,'m^3/(mol*s)'), n=4.34559, w0=(411,'kJ/mol'), E0=(42.9598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.032983143559441125, var=3.5623581607838943, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 3.866651373306275"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 3.866651373306275""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 3.866651373306275 +""", +) + +entry( + index = 4985, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(4.90518e-10,'m^3/(mol*s)'), n=4.50151, w0=(411,'kJ/mol'), E0=(36.8937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05958397323584681, var=7.358857207361665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 5.587996152274006"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 5.587996152274006""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 5.587996152274006 +""", +) + +entry( + index = 4986, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(2.12875e-08,'m^3/(mol*s)'), n=4.05139, w0=(411,'kJ/mol'), E0=(53.5078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12809611051425698, var=0.21877155588539865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 1.259524696661947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.259524696661947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 1.259524696661947 +""", +) + +entry( + index = 4987, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.95542e-09,'m^3/(mol*s)'), n=4.03076, w0=(411,'kJ/mol'), E0=(29.7661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18049266386171836, var=8.036875227635672, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.136799429904327"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.136799429904327""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.136799429904327 +""", +) + +entry( + index = 4988, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S", + kinetics = ArrheniusBM(A=(9.2379e-16,'m^3/(mol*s)'), n=6.0922, w0=(411,'kJ/mol'), E0=(15.2305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09781032840106132, var=3.458666594815254, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S + Total Standard Deviation in ln(k): 3.9740587851440266"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S +Total Standard Deviation in ln(k): 3.9740587851440266""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S +Total Standard Deviation in ln(k): 3.9740587851440266 +""", +) + +entry( + index = 4989, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.3738e-15,'m^3/(mol*s)'), n=5.90416, w0=(411,'kJ/mol'), E0=(14.2259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20557067253376105, var=6.018445646612111, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 5.434629676330397"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.434629676330397""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.434629676330397 +""", +) + +entry( + index = 4990, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl", + kinetics = ArrheniusBM(A=(4.1526e-08,'m^3/(mol*s)'), n=4.13514, w0=(411,'kJ/mol'), E0=(24.2582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08324167858238125, var=0.6491773018426065, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl + Total Standard Deviation in ln(k): 1.8243958660437862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl +Total Standard Deviation in ln(k): 1.8243958660437862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl +Total Standard Deviation in ln(k): 1.8243958660437862 +""", +) + +entry( + index = 4991, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_6R!H->C", + kinetics = ArrheniusBM(A=(4.79663e-08,'m^3/(mol*s)'), n=4.09007, w0=(411,'kJ/mol'), E0=(19.5454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4992, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_N-6R!H->C", + kinetics = ArrheniusBM(A=(6.19926e-09,'m^3/(mol*s)'), n=4.39892, w0=(411,'kJ/mol'), E0=(26.514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_5BrCClFO->Cl_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4993, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl", + kinetics = ArrheniusBM(A=(1.68972e-19,'m^3/(mol*s)'), n=7.16961, w0=(411,'kJ/mol'), E0=(0.241946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22598800186067405, var=2.117782257730583, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl + Total Standard Deviation in ln(k): 3.4852202251053903"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl +Total Standard Deviation in ln(k): 3.4852202251053903""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl +Total Standard Deviation in ln(k): 3.4852202251053903 +""", +) + +entry( + index = 4994, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F", + kinetics = ArrheniusBM(A=(7.69303e-12,'m^3/(mol*s)'), n=5.14149, w0=(411,'kJ/mol'), E0=(23.4642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07004765142761045, var=2.161649232507974, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F + Total Standard Deviation in ln(k): 3.1234705323529077"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F +Total Standard Deviation in ln(k): 3.1234705323529077""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F +Total Standard Deviation in ln(k): 3.1234705323529077 +""", +) + +entry( + index = 4995, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(1.67388e-11,'m^3/(mol*s)'), n=5.13875, w0=(411,'kJ/mol'), E0=(24.485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4996, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(5.70322e-12,'m^3/(mol*s)'), n=5.13173, w0=(411,'kJ/mol'), E0=(23.0491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04882871350622652, var=4.816027046868818, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 4.522166225867752"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.522166225867752""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.522166225867752 +""", +) + +entry( + index = 4997, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(2.4723e-12,'m^3/(mol*s)'), n=5.32894, w0=(411,'kJ/mol'), E0=(21.4396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4998, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.93935e-11,'m^3/(mol*s)'), n=4.88623, w0=(411,'kJ/mol'), E0=(25.076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_5CFO->F_Ext-7R!H-R_N-8R!H->Cl_N-8BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4999, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F", + kinetics = ArrheniusBM(A=(1.26852e-18,'m^3/(mol*s)'), n=6.8193, w0=(411,'kJ/mol'), E0=(1.91841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23381408802606635, var=2.588076758377808, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F + Total Standard Deviation in ln(k): 3.81259026078391"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F +Total Standard Deviation in ln(k): 3.81259026078391""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F +Total Standard Deviation in ln(k): 3.81259026078391 +""", +) + +entry( + index = 5000, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.18447e-18,'m^3/(mol*s)'), n=6.82768, w0=(411,'kJ/mol'), E0=(1.57002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24392197095312793, var=2.761626126407823, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R + Total Standard Deviation in ln(k): 3.944366306273639"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R +Total Standard Deviation in ln(k): 3.944366306273639""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R +Total Standard Deviation in ln(k): 3.944366306273639 +""", +) + +entry( + index = 5001, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.28446e-16,'m^3/(mol*s)'), n=6.10883, w0=(411,'kJ/mol'), E0=(27.2834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09445043470124996, var=24.596121205553143, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C + Total Standard Deviation in ln(k): 10.179691361399449"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 10.179691361399449""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C +Total Standard Deviation in ln(k): 10.179691361399449 +""", +) + +entry( + index = 5002, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C", + kinetics = ArrheniusBM(A=(1.02063e-08,'m^3/(mol*s)'), n=3.73824, w0=(411,'kJ/mol'), E0=(48.4814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08621372421627425, var=20.850848183615476, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C + Total Standard Deviation in ln(k): 9.370784850114216"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C +Total Standard Deviation in ln(k): 9.370784850114216""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C +Total Standard Deviation in ln(k): 9.370784850114216 +""", +) + +entry( + index = 5003, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.56591e-10,'m^3/(mol*s)'), n=4.22453, w0=(411,'kJ/mol'), E0=(47.464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06809909572979636, var=63.34064764776754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C_Ext-6R!H-R + Total Standard Deviation in ln(k): 16.12615581660315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.12615581660315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_8R!H->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.12615581660315 +""", +) + +entry( + index = 5004, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.2188e-08,'m^3/(mol*s)'), n=3.85646, w0=(411,'kJ/mol'), E0=(58.6083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16302895874716572, var=117.82165587223349, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_N-8R!H->C + Total Standard Deviation in ln(k): 22.170154587487747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_N-8R!H->C +Total Standard Deviation in ln(k): 22.170154587487747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_Sp-8R!H=5C_N-8R!H->C +Total Standard Deviation in ln(k): 22.170154587487747 +""", +) + +entry( + index = 5005, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C", + kinetics = ArrheniusBM(A=(1.02306e-16,'m^3/(mol*s)'), n=6.28814, w0=(411,'kJ/mol'), E0=(11.2186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033931486037671044, var=0.9349077412353288, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C + Total Standard Deviation in ln(k): 2.0236459125656916"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 2.0236459125656916""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C +Total Standard Deviation in ln(k): 2.0236459125656916 +""", +) + +entry( + index = 5006, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C", + kinetics = ArrheniusBM(A=(1.72473e-13,'m^3/(mol*s)'), n=5.27366, w0=(411,'kJ/mol'), E0=(15.5078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01356621416653725, var=9.561170156936566, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C + Total Standard Deviation in ln(k): 6.232955742954168"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C +Total Standard Deviation in ln(k): 6.232955742954168""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C +Total Standard Deviation in ln(k): 6.232955742954168 +""", +) + +entry( + index = 5007, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(7.5455e-10,'m^3/(mol*s)'), n=4.19999, w0=(411,'kJ/mol'), E0=(38.9163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.038426290261636374, var=50.49877117624544, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C_Ext-6R!H-R + Total Standard Deviation in ln(k): 14.34269458879173"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 14.34269458879173""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_Sp-8R!H#5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 14.34269458879173 +""", +) + +entry( + index = 5008, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C", + kinetics = ArrheniusBM(A=(1.56395e-18,'m^3/(mol*s)'), n=6.81565, w0=(411,'kJ/mol'), E0=(6.25389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21071662016829595, var=0.20524528590806024, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C + Total Standard Deviation in ln(k): 1.4376640216372811"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C +Total Standard Deviation in ln(k): 1.4376640216372811""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C +Total Standard Deviation in ln(k): 1.4376640216372811 +""", +) + +entry( + index = 5009, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C_N-5C-inRing", + kinetics = ArrheniusBM(A=(1.41e-11,'m^3/(mol*s)'), n=4.83, w0=(411,'kJ/mol'), E0=(25.153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15903530130309879, var=1.1449575239145313e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C_N-5C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C_N-5C-inRing + Total Standard Deviation in ln(k): 0.399592967645023"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 0.399592967645023""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_N-5BrCClFO->Cl_N-5CFO->F_Ext-5C-R_N-Sp-8R!H=5C_N-Sp-8R!H#5C_N-5C-inRing +Total Standard Deviation in ln(k): 0.399592967645023 +""", +) + +entry( + index = 5010, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_5BrCClFO->O", + kinetics = ArrheniusBM(A=(4.25e-12,'m^3/(mol*s)'), n=5.01, w0=(411,'kJ/mol'), E0=(30.221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005513452059017556, var=4.627447149770756e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_5BrCClFO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_5BrCClFO->O + Total Standard Deviation in ln(k): 0.013866531899566487"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_5BrCClFO->O +Total Standard Deviation in ln(k): 0.013866531899566487""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_5BrCClFO->O +Total Standard Deviation in ln(k): 0.013866531899566487 +""", +) + +entry( + index = 5011, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O", + kinetics = ArrheniusBM(A=(1.56675e-14,'m^3/(mol*s)'), n=5.64424, w0=(411,'kJ/mol'), E0=(22.0797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09806808031164675, var=2.8453499649180016, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O + Total Standard Deviation in ln(k): 3.6280224543157207"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O +Total Standard Deviation in ln(k): 3.6280224543157207""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O +Total Standard Deviation in ln(k): 3.6280224543157207 +""", +) + +entry( + index = 5012, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C", + kinetics = ArrheniusBM(A=(1.44269e-12,'m^3/(mol*s)'), n=5.03649, w0=(411,'kJ/mol'), E0=(30.4557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045113579046333264, var=0.6354580781184701, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C + Total Standard Deviation in ln(k): 1.7114377866005734"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C +Total Standard Deviation in ln(k): 1.7114377866005734""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C +Total Standard Deviation in ln(k): 1.7114377866005734 +""", +) + +entry( + index = 5013, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.03361e-13,'m^3/(mol*s)'), n=5.44371, w0=(411,'kJ/mol'), E0=(33.4785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12349717641101157, var=1.130384316502812, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.441719391647359"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.441719391647359""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.441719391647359 +""", +) + +entry( + index = 5014, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C", + kinetics = ArrheniusBM(A=(3.59614e-13,'m^3/(mol*s)'), n=5.29776, w0=(411,'kJ/mol'), E0=(35.5055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14805039768364459, var=1.6427937719781882, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C + Total Standard Deviation in ln(k): 2.941485280421764"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 2.941485280421764""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 2.941485280421764 +""", +) + +entry( + index = 5015, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(1.81601e-10,'m^3/(mol*s)'), n=4.48328, w0=(411,'kJ/mol'), E0=(42.4667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029978722519309088, var=4.819207172754187, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 4.476256735568971"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 4.476256735568971""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 4.476256735568971 +""", +) + +entry( + index = 5016, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.93734e-09,'m^3/(mol*s)'), n=4.08135, w0=(411,'kJ/mol'), E0=(46.1641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09873834168577558, var=12.78500227113309, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H_Ext-5C-R + Total Standard Deviation in ln(k): 7.416241392605835"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H_Ext-5C-R +Total Standard Deviation in ln(k): 7.416241392605835""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_Sp-7C=6R!H_Ext-5C-R +Total Standard Deviation in ln(k): 7.416241392605835 +""", +) + +entry( + index = 5017, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(2.13732e-18,'m^3/(mol*s)'), n=6.8217, w0=(411,'kJ/mol'), E0=(17.7166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1481581258834073, var=1.053849936018548, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 2.4302613635891217"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 2.4302613635891217""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 2.4302613635891217 +""", +) + +entry( + index = 5018, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(3.95617e-10,'m^3/(mol*s)'), n=4.40492, w0=(411,'kJ/mol'), E0=(44.1176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03951741212493515, var=2.113073634761185, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_6R!H-inRing + Total Standard Deviation in ln(k): 3.013456101933338"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 3.013456101933338""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 3.013456101933338 +""", +) + +entry( + index = 5019, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.31824e-18,'m^3/(mol*s)'), n=6.90586, w0=(411,'kJ/mol'), E0=(5.17414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11462446678749497, var=1.145963237937258, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.4340635073964716"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.4340635073964716""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.4340635073964716 +""", +) + +entry( + index = 5020, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.07805e-10,'m^3/(mol*s)'), n=4.59705, w0=(411,'kJ/mol'), E0=(54.133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10252808599514403, var=3.2183453322418156, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing_Ext-5C-R + Total Standard Deviation in ln(k): 3.8540523256618355"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 3.8540523256618355""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_7R!H->C_N-Sp-7C=6R!H_N-6R!H-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 3.8540523256618355 +""", +) + +entry( + index = 5021, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.23381e-10,'m^3/(mol*s)'), n=4.33638, w0=(411,'kJ/mol'), E0=(45.9604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012969634635812025, var=0.0004978880527927783, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 0.07731948785128016"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.07731948785128016""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.07731948785128016 +""", +) + +entry( + index = 5022, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.99e-11,'m^3/(mol*s)'), n=4.59033, w0=(411,'kJ/mol'), E0=(29.4609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5023, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_6R!H->C", + kinetics = ArrheniusBM(A=(3.20489e-09,'m^3/(mol*s)'), n=4.09904, w0=(411,'kJ/mol'), E0=(35.616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1741877634425403, var=2.606340850416942, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_6R!H->C + Total Standard Deviation in ln(k): 3.6741352176216826"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_6R!H->C +Total Standard Deviation in ln(k): 3.6741352176216826""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_6R!H->C +Total Standard Deviation in ln(k): 3.6741352176216826 +""", +) + +entry( + index = 5024, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.40654e-11,'m^3/(mol*s)'), n=4.72483, w0=(411,'kJ/mol'), E0=(33.0794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_5CClF->C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5025, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_N-5CClF->C", + kinetics = ArrheniusBM(A=(3.00048e-10,'m^3/(mol*s)'), n=4.55875, w0=(411,'kJ/mol'), E0=(26.3696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_N-5CClF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_N-5CClF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_N-5CClF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_N-5BrCClFO->O_N-5CClF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5026, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_5R!H->Br", + kinetics = ArrheniusBM(A=(4.40642e-11,'m^3/(mol*s)'), n=5.05456, w0=(411,'kJ/mol'), E0=(34.3884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5027, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br", + kinetics = ArrheniusBM(A=(3.34714e-17,'m^3/(mol*s)'), n=6.56583, w0=(411,'kJ/mol'), E0=(22.9962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2997119256533106, var=0.7109294548198004, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br + Total Standard Deviation in ln(k): 2.443370150946021"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br +Total Standard Deviation in ln(k): 2.443370150946021""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br +Total Standard Deviation in ln(k): 2.443370150946021 +""", +) + +entry( + index = 5028, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R", + kinetics = ArrheniusBM(A=(5.37112e-23,'m^3/(mol*s)'), n=8.22988, w0=(411,'kJ/mol'), E0=(8.1751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33568949402532255, var=0.8475337826784407, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R + Total Standard Deviation in ln(k): 2.6890320877289544"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R +Total Standard Deviation in ln(k): 2.6890320877289544""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R +Total Standard Deviation in ln(k): 2.6890320877289544 +""", +) + +entry( + index = 5029, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_Sp-6R!H#5CCCClClClFFFOOOSSS", + kinetics = ArrheniusBM(A=(6.15877e-10,'m^3/(mol*s)'), n=4.45689, w0=(411,'kJ/mol'), E0=(42.2904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07455931972282615, var=0.08808852352091548, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_Sp-6R!H#5CCCClClClFFFOOOSSS',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_Sp-6R!H#5CCCClClClFFFOOOSSS + Total Standard Deviation in ln(k): 0.7823345481428177"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_Sp-6R!H#5CCCClClClFFFOOOSSS +Total Standard Deviation in ln(k): 0.7823345481428177""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_Sp-6R!H#5CCCClClClFFFOOOSSS +Total Standard Deviation in ln(k): 0.7823345481428177 +""", +) + +entry( + index = 5030, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS", + kinetics = ArrheniusBM(A=(1.52619e-23,'m^3/(mol*s)'), n=8.38725, w0=(411,'kJ/mol'), E0=(6.8724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34688540907146725, var=0.890030633528238, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS + Total Standard Deviation in ln(k): 2.7628672171397723"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS +Total Standard Deviation in ln(k): 2.7628672171397723""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS +Total Standard Deviation in ln(k): 2.7628672171397723 +""", +) + +entry( + index = 5031, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C", + kinetics = ArrheniusBM(A=(2.49934e-23,'m^3/(mol*s)'), n=8.37255, w0=(411,'kJ/mol'), E0=(8.37559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35451124109872245, var=0.26068048210419614, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C + Total Standard Deviation in ln(k): 1.9142869101198727"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C +Total Standard Deviation in ln(k): 1.9142869101198727""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C +Total Standard Deviation in ln(k): 1.9142869101198727 +""", +) + +entry( + index = 5032, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_Sp-6C-5CClFOS", + kinetics = ArrheniusBM(A=(1.0178e-12,'m^3/(mol*s)'), n=5.34774, w0=(411,'kJ/mol'), E0=(35.0364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04770738680392989, var=1.1567804186717107e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_Sp-6C-5CClFOS',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_Sp-6C-5CClFOS + Total Standard Deviation in ln(k): 0.11987462443968318"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_Sp-6C-5CClFOS +Total Standard Deviation in ln(k): 0.11987462443968318""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_Sp-6C-5CClFOS +Total Standard Deviation in ln(k): 0.11987462443968318 +""", +) + +entry( + index = 5033, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS", + kinetics = ArrheniusBM(A=(1.68474e-11,'m^3/(mol*s)'), n=4.80521, w0=(411,'kJ/mol'), E0=(45.3129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14931637300357695, var=1.6023768109752592, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS + Total Standard Deviation in ln(k): 2.9128611300460614"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS +Total Standard Deviation in ln(k): 2.9128611300460614""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS +Total Standard Deviation in ln(k): 2.9128611300460614 +""", +) + +entry( + index = 5034, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_5CClFOS-inRing", + kinetics = ArrheniusBM(A=(7.88826e-11,'m^3/(mol*s)'), n=4.6587, w0=(411,'kJ/mol'), E0=(47.7652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18042504217703736, var=10.03544694898151, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_5CClFOS-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_5CClFOS-inRing + Total Standard Deviation in ln(k): 6.804084110157887"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_5CClFOS-inRing +Total Standard Deviation in ln(k): 6.804084110157887""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_5CClFOS-inRing +Total Standard Deviation in ln(k): 6.804084110157887 +""", +) + +entry( + index = 5035, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_N-5CClFOS-inRing", + kinetics = ArrheniusBM(A=(1.04661e-10,'m^3/(mol*s)'), n=4.53235, w0=(411,'kJ/mol'), E0=(46.7289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08119586433625876, var=0.01751667053704918, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_N-5CClFOS-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_N-5CClFOS-inRing + Total Standard Deviation in ln(k): 0.46933751805349105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_N-5CClFOS-inRing +Total Standard Deviation in ln(k): 0.46933751805349105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_6R!H->C_N-Sp-6C-5CClFOS_N-5CClFOS-inRing +Total Standard Deviation in ln(k): 0.46933751805349105 +""", +) + +entry( + index = 5036, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C", + kinetics = ArrheniusBM(A=(8.96832e-14,'m^3/(mol*s)'), n=5.49781, w0=(411,'kJ/mol'), E0=(30.0412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.371199506278698, var=1.9177215859216448, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C + Total Standard Deviation in ln(k): 3.708855797948955"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C +Total Standard Deviation in ln(k): 3.708855797948955""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C +Total Standard Deviation in ln(k): 3.708855797948955 +""", +) + +entry( + index = 5037, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_6ClS->S", + kinetics = ArrheniusBM(A=(3.22922e-10,'m^3/(mol*s)'), n=4.42859, w0=(411,'kJ/mol'), E0=(54.5802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02963306723672867, var=28.070813539926434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_6ClS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_6ClS->S + Total Standard Deviation in ln(k): 10.695921575655882"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_6ClS->S +Total Standard Deviation in ln(k): 10.695921575655882""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_6ClS->S +Total Standard Deviation in ln(k): 10.695921575655882 +""", +) + +entry( + index = 5038, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S", + kinetics = ArrheniusBM(A=(7.08697e-11,'m^3/(mol*s)'), n=4.67167, w0=(411,'kJ/mol'), E0=(35.9974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024842761112560233, var=1.0846945535539527, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S + Total Standard Deviation in ln(k): 2.150323924903443"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S +Total Standard Deviation in ln(k): 2.150323924903443""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S +Total Standard Deviation in ln(k): 2.150323924903443 +""", +) + +entry( + index = 5039, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S_Ext-5CClFOS-R", + kinetics = ArrheniusBM(A=(1.4187e-10,'m^3/(mol*s)'), n=4.48282, w0=(411,'kJ/mol'), E0=(33.7808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S_Ext-5CClFOS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S_Ext-5CClFOS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S_Ext-5CClFOS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_Ext-5CClFOS-R_N-Sp-6R!H#5CCCClClClFFFOOOSSS_N-6R!H->C_N-6ClS->S_Ext-5CClFOS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5040, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_5CClFOS->C", + kinetics = ArrheniusBM(A=(9.2e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(38.4928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.8857805861882625e-15, var=8.255675892170835e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_5CClFOS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_5CClFOS->C + Total Standard Deviation in ln(k): 6.736470331265251e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_5CClFOS->C +Total Standard Deviation in ln(k): 6.736470331265251e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_5CClFOS->C +Total Standard Deviation in ln(k): 6.736470331265251e-14 +""", +) + +entry( + index = 5041, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C", + kinetics = ArrheniusBM(A=(1.26816e-11,'m^3/(mol*s)'), n=4.95938, w0=(411,'kJ/mol'), E0=(35.3948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1438521344251005, var=3.470577254683027, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C + Total Standard Deviation in ln(k): 6.6087186189625164"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C +Total Standard Deviation in ln(k): 6.6087186189625164""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C +Total Standard Deviation in ln(k): 6.6087186189625164 +""", +) + +entry( + index = 5042, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_5ClS->S", + kinetics = ArrheniusBM(A=(7.69074e-11,'m^3/(mol*s)'), n=4.57586, w0=(411,'kJ/mol'), E0=(38.1453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1561943690919774, var=1.8650741571147262, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_5ClS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_5ClS->S + Total Standard Deviation in ln(k): 3.1302691085926755"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_5ClS->S +Total Standard Deviation in ln(k): 3.1302691085926755""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_5ClS->S +Total Standard Deviation in ln(k): 3.1302691085926755 +""", +) + +entry( + index = 5043, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_N-5ClS->S", + kinetics = ArrheniusBM(A=(6.6776e-11,'m^3/(mol*s)'), n=4.77867, w0=(411,'kJ/mol'), E0=(37.0553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_N-5ClS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_N-5ClS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_N-5ClS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_N-1C-inRing_Ext-1C-R_N-Sp-5R!H#1C_N-Sp-5R!H=1C_N-5R!H->Br_N-5CClFOS->C_N-5ClS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5044, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(3.99349e-10,'m^3/(mol*s)'), n=4.37272, w0=(411,'kJ/mol'), E0=(36.8654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.279519835252463, var=0.9043554034689699, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C + Total Standard Deviation in ln(k): 2.608766142453641"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 2.608766142453641""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 2.608766142453641 +""", +) + +entry( + index = 5045, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.19714e-10,'m^3/(mol*s)'), n=4.24614, w0=(411,'kJ/mol'), E0=(35.7101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.254805031200689, var=1.3753133875545502, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.991241771838117"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.991241771838117""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.991241771838117 +""", +) + +entry( + index = 5046, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(8.42e-10,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(41.4099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5047, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.47e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(29.5605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5048, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.21e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(35.7883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5049, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.6e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(46.8401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5050, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_N-Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(3.50334,'m^3/(mol*s)'), n=1.36995, w0=(411,'kJ/mol'), E0=(45.0515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15292659299909017, var=0.5518208063095322, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_N-Sp-5R!H-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_N-Sp-5R!H-1C + Total Standard Deviation in ln(k): 1.8734479496546423"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 1.8734479496546423""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_4CNOS->C_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 1.8734479496546423 +""", +) + +entry( + index = 5051, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C", + kinetics = ArrheniusBM(A=(239460,'m^3/(mol*s)'), n=0.330771, w0=(411,'kJ/mol'), E0=(72.6261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2066890504731157, var=13.593934315326656, Tref=1000.0, N=105, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C',), comment="""BM rule fitted to 105 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C + Total Standard Deviation in ln(k): 7.910768023079624"""), + rank = 11, + shortDesc = """BM rule fitted to 105 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C +Total Standard Deviation in ln(k): 7.910768023079624""", + longDesc = +""" +BM rule fitted to 105 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C +Total Standard Deviation in ln(k): 7.910768023079624 +""", +) + +entry( + index = 5052, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N", + kinetics = ArrheniusBM(A=(1020.34,'m^3/(mol*s)'), n=1.16403, w0=(411,'kJ/mol'), E0=(62.1595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06540275849030742, var=2.0964631426196796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N + Total Standard Deviation in ln(k): 3.067018194417088"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N +Total Standard Deviation in ln(k): 3.067018194417088""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N +Total Standard Deviation in ln(k): 3.067018194417088 +""", +) + +entry( + index = 5053, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(21.0226,'m^3/(mol*s)'), n=1.6347, w0=(411,'kJ/mol'), E0=(52.1332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_4NOS->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5054, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N", + kinetics = ArrheniusBM(A=(1.06284e-06,'m^3/(mol*s)'), n=3.29659, w0=(411,'kJ/mol'), E0=(51.9126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22661308192190413, var=11.591546443051834, Tref=1000.0, N=103, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N',), comment="""BM rule fitted to 103 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N + Total Standard Deviation in ln(k): 7.394772862103236"""), + rank = 11, + shortDesc = """BM rule fitted to 103 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N +Total Standard Deviation in ln(k): 7.394772862103236""", + longDesc = +""" +BM rule fitted to 103 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N +Total Standard Deviation in ln(k): 7.394772862103236 +""", +) + +entry( + index = 5055, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O", + kinetics = ArrheniusBM(A=(4.95902e-07,'m^3/(mol*s)'), n=3.57873, w0=(411,'kJ/mol'), E0=(39.8223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22066756642096028, var=3.2174444233927155, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O + Total Standard Deviation in ln(k): 4.150381780957138"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O +Total Standard Deviation in ln(k): 4.150381780957138""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O +Total Standard Deviation in ln(k): 4.150381780957138 +""", +) + +entry( + index = 5056, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.1008e-05,'m^3/(mol*s)'), n=3.173, w0=(411,'kJ/mol'), E0=(41.411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23853540151927957, var=4.012677002302058, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R + Total Standard Deviation in ln(k): 4.615153816279356"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 4.615153816279356""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R +Total Standard Deviation in ln(k): 4.615153816279356 +""", +) + +entry( + index = 5057, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.00894138,'m^3/(mol*s)'), n=2.18017, w0=(411,'kJ/mol'), E0=(47.3432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1717925468561965, var=5.9164265511719085, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 5.307898151946166"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 5.307898151946166""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 5.307898151946166 +""", +) + +entry( + index = 5058, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.09706e-11,'m^3/(mol*s)'), n=4.45805, w0=(411,'kJ/mol'), E0=(26.995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20596906315904911, var=3.4372402129147366, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.234248067817866"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.234248067817866""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.234248067817866 +""", +) + +entry( + index = 5059, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.53271e-10,'m^3/(mol*s)'), n=4.31733, w0=(411,'kJ/mol'), E0=(23.9553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5060, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(3.02e-05,'m^3/(mol*s)'), n=2.95, w0=(411,'kJ/mol'), E0=(46.2702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5061, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.26284e-12,'m^3/(mol*s)'), n=4.73532, w0=(411,'kJ/mol'), E0=(28.3503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5062, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.03899e-12,'m^3/(mol*s)'), n=5.42979, w0=(411,'kJ/mol'), E0=(17.4729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5063, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.23393e-09,'m^3/(mol*s)'), n=3.9644, w0=(411,'kJ/mol'), E0=(24.5596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5064, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(7.37754e-08,'m^3/(mol*s)'), n=3.93062, w0=(411,'kJ/mol'), E0=(37.1525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22768607469154956, var=3.602991037042185, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 4.3773727535136535"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.3773727535136535""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.3773727535136535 +""", +) + +entry( + index = 5065, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(1.12604e-06,'m^3/(mol*s)'), n=3.60708, w0=(411,'kJ/mol'), E0=(44.6771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24638944928591863, var=7.27024060397066, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 6.024513078336525"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 6.024513078336525""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 6.024513078336525 +""", +) + +entry( + index = 5066, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.28328e-06,'m^3/(mol*s)'), n=3.58598, w0=(411,'kJ/mol'), E0=(42.8317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23576146645652926, var=11.339324310711758, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R + Total Standard Deviation in ln(k): 7.343092994715748"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R +Total Standard Deviation in ln(k): 7.343092994715748""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R +Total Standard Deviation in ln(k): 7.343092994715748 +""", +) + +entry( + index = 5067, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.60029e-09,'m^3/(mol*s)'), n=4.59137, w0=(411,'kJ/mol'), E0=(30.5696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5068, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(2.16831e-08,'m^3/(mol*s)'), n=4.06739, w0=(411,'kJ/mol'), E0=(31.3844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1846581700452755, var=5.9387830717068635, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 5.349428159828035"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 5.349428159828035""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 5.349428159828035 +""", +) + +entry( + index = 5069, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.79047e-07,'m^3/(mol*s)'), n=3.82303, w0=(411,'kJ/mol'), E0=(29.6841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19234986440851629, var=12.502052905837395, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R + Total Standard Deviation in ln(k): 7.57168195541467"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R +Total Standard Deviation in ln(k): 7.57168195541467""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R +Total Standard Deviation in ln(k): 7.57168195541467 +""", +) + +entry( + index = 5070, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.79773e-09,'m^3/(mol*s)'), n=4.48442, w0=(411,'kJ/mol'), E0=(19.209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_4OS->O_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5071, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O", + kinetics = ArrheniusBM(A=(2.32667e-06,'m^3/(mol*s)'), n=3.15274, w0=(411,'kJ/mol'), E0=(55.5584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08932187899031142, var=14.236208693759757, Tref=1000.0, N=90, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O',), comment="""BM rule fitted to 90 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O + Total Standard Deviation in ln(k): 7.788472849760173"""), + rank = 11, + shortDesc = """BM rule fitted to 90 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O +Total Standard Deviation in ln(k): 7.788472849760173""", + longDesc = +""" +BM rule fitted to 90 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O +Total Standard Deviation in ln(k): 7.788472849760173 +""", +) + +entry( + index = 5072, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R", + kinetics = ArrheniusBM(A=(6.41419e-07,'m^3/(mol*s)'), n=3.29059, w0=(411,'kJ/mol'), E0=(54.4723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.118851517331961, var=20.103290196152514, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R + Total Standard Deviation in ln(k): 9.287190980258828"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R +Total Standard Deviation in ln(k): 9.287190980258828""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R +Total Standard Deviation in ln(k): 9.287190980258828 +""", +) + +entry( + index = 5073, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R", + kinetics = ArrheniusBM(A=(4.19192e-16,'m^3/(mol*s)'), n=5.71202, w0=(411,'kJ/mol'), E0=(33.238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2872068657031054, var=0.03948225681963617, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R + Total Standard Deviation in ln(k): 1.1199690099733512"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 1.1199690099733512""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 1.1199690099733512 +""", +) + +entry( + index = 5074, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R_Ext-4S-R", + kinetics = ArrheniusBM(A=(3.98563e-16,'m^3/(mol*s)'), n=5.76202, w0=(411,'kJ/mol'), E0=(36.3327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R_Ext-4S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R_Ext-4S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_Ext-4S-R_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5075, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_1C-inRing", + kinetics = ArrheniusBM(A=(8.26292e-08,'m^3/(mol*s)'), n=3.94093, w0=(411,'kJ/mol'), E0=(44.1173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5339628025956247, var=61.92624180662267, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_1C-inRing + Total Standard Deviation in ln(k): 17.117522595030145"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_1C-inRing +Total Standard Deviation in ln(k): 17.117522595030145""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_1C-inRing +Total Standard Deviation in ln(k): 17.117522595030145 +""", +) + +entry( + index = 5076, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.19268e-07,'m^3/(mol*s)'), n=3.66914, w0=(411,'kJ/mol'), E0=(50.1216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22904717867087285, var=7.261652729005706, Tref=1000.0, N=85, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing',), comment="""BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing + Total Standard Deviation in ln(k): 5.977746036268506"""), + rank = 11, + shortDesc = """BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing +Total Standard Deviation in ln(k): 5.977746036268506""", + longDesc = +""" +BM rule fitted to 85 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing +Total Standard Deviation in ln(k): 5.977746036268506 +""", +) + +entry( + index = 5077, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.45156e-07,'m^3/(mol*s)'), n=3.64119, w0=(411,'kJ/mol'), E0=(50.4321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2349886062715064, var=7.37957810682995, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.0363624306412325"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.0363624306412325""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.0363624306412325 +""", +) + +entry( + index = 5078, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(0.00113741,'m^3/(mol*s)'), n=2.65302, w0=(411,'kJ/mol'), E0=(75.6546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33604475880629836, var=17.38893090313687, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C + Total Standard Deviation in ln(k): 9.204086265939788"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C +Total Standard Deviation in ln(k): 9.204086265939788""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C +Total Standard Deviation in ln(k): 9.204086265939788 +""", +) + +entry( + index = 5079, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.78378e-08,'m^3/(mol*s)'), n=4.18048, w0=(411,'kJ/mol'), E0=(44.114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09297547367703687, var=6.676468794440092, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.413614368010512"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.413614368010512""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.413614368010512 +""", +) + +entry( + index = 5080, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C", + kinetics = ArrheniusBM(A=(1.39642e-08,'m^3/(mol*s)'), n=4.06335, w0=(411,'kJ/mol'), E0=(51.8581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19997644573220374, var=6.224081252403576, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C + Total Standard Deviation in ln(k): 5.503888233879307"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 5.503888233879307""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 5.503888233879307 +""", +) + +entry( + index = 5081, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.41556e-13,'m^3/(mol*s)'), n=5.28999, w0=(411,'kJ/mol'), E0=(42.1104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08047597993711635, var=7.0680482898244295, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.5319497905763635"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.5319497905763635""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.5319497905763635 +""", +) + +entry( + index = 5082, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(2.43631e-12,'m^3/(mol*s)'), n=5.15026, w0=(411,'kJ/mol'), E0=(47.2873,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1401044009307992, var=6.536258298843835, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 5.477348268175217"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 5.477348268175217""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 5.477348268175217 +""", +) + +entry( + index = 5083, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.98866e-26,'m^3/(mol*s)'), n=9.19652, w0=(411,'kJ/mol'), E0=(0.95691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11205546999097528, var=6.694733099875944, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 5.468634493721352"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.468634493721352""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.468634493721352 +""", +) + +entry( + index = 5084, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.16152e-08,'m^3/(mol*s)'), n=4.0682, w0=(411,'kJ/mol'), E0=(51.15,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22272306362906097, var=4.356803298538252, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 4.744080574648954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.744080574648954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.744080574648954 +""", +) + +entry( + index = 5085, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C", + kinetics = ArrheniusBM(A=(4.30221e-08,'m^3/(mol*s)'), n=3.92764, w0=(411,'kJ/mol'), E0=(46.5148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.353618707979047, var=5.301925951599398, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C + Total Standard Deviation in ln(k): 5.504574440493554"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 5.504574440493554""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_Sp-7C=6C +Total Standard Deviation in ln(k): 5.504574440493554 +""", +) + +entry( + index = 5086, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C", + kinetics = ArrheniusBM(A=(3.21788e-09,'m^3/(mol*s)'), n=4.20554, w0=(411,'kJ/mol'), E0=(55.7996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09675034548475374, var=14.114884178119263, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C + Total Standard Deviation in ln(k): 7.774837031479749"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 7.774837031479749""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_7R!H->C_N-Sp-7C=6C +Total Standard Deviation in ln(k): 7.774837031479749 +""", +) + +entry( + index = 5087, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(7.48708e-08,'m^3/(mol*s)'), n=3.95028, w0=(411,'kJ/mol'), E0=(80.4108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34964331240609064, var=25.06303357878955, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 10.914804779304038"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.914804779304038""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 10.914804779304038 +""", +) + +entry( + index = 5088, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.0031e-10,'m^3/(mol*s)'), n=4.41967, w0=(411,'kJ/mol'), E0=(34.329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06386596039986973, var=59.29409210123739, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 15.597460023857204"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 15.597460023857204""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 15.597460023857204 +""", +) + +entry( + index = 5089, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0226322,'m^3/(mol*s)'), n=2.24677, w0=(411,'kJ/mol'), E0=(96.027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4027623712081115, var=28.74490240210481, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C + Total Standard Deviation in ln(k): 11.760207075592684"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 11.760207075592684""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 11.760207075592684 +""", +) + +entry( + index = 5090, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.528818,'m^3/(mol*s)'), n=1.83111, w0=(411,'kJ/mol'), E0=(99.8621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4455903381196618, var=37.09967948398947, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 13.330316081182934"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.330316081182934""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 13.330316081182934 +""", +) + +entry( + index = 5091, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(18589,'m^3/(mol*s)'), n=0.558927, w0=(411,'kJ/mol'), E0=(111.728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5560942553226974, var=76.1761353424022, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 18.89433719208785"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 18.89433719208785""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 18.89433719208785 +""", +) + +entry( + index = 5092, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.31906e-08,'m^3/(mol*s)'), n=3.92807, w0=(411,'kJ/mol'), E0=(41.7503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16057559237216348, var=40.65733840161343, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 13.186270027559958"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.186270027559958""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 13.186270027559958 +""", +) + +entry( + index = 5093, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.57451e-08,'m^3/(mol*s)'), n=4.05926, w0=(411,'kJ/mol'), E0=(117.423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20693483915029656, var=216.86284459026635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 30.04219431819214"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 30.04219431819214""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 30.04219431819214 +""", +) + +entry( + index = 5094, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(3.53972e-08,'m^3/(mol*s)'), n=3.92307, w0=(411,'kJ/mol'), E0=(75.8897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3146010510003168, var=96.9538466063215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 20.53010778884656"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 20.53010778884656""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 20.53010778884656 +""", +) + +entry( + index = 5095, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.05285e-09,'m^3/(mol*s)'), n=4.05932, w0=(411,'kJ/mol'), E0=(85.2081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20287968045662658, var=157.69577824886366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 25.684605548085813"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 25.684605548085813""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_Sp-5R!H=1C_N-5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 25.684605548085813 +""", +) + +entry( + index = 5096, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C", + kinetics = ArrheniusBM(A=(1.83999e-12,'m^3/(mol*s)'), n=4.99237, w0=(411,'kJ/mol'), E0=(30.4435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07422223918146752, var=3.348176468629002, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C + Total Standard Deviation in ln(k): 3.8547568999745123"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 3.8547568999745123""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C +Total Standard Deviation in ln(k): 3.8547568999745123 +""", +) + +entry( + index = 5097, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.08698e-13,'m^3/(mol*s)'), n=5.33068, w0=(411,'kJ/mol'), E0=(24.3423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03186618460283002, var=3.634894310175527, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.902173162319459"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.902173162319459""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.902173162319459 +""", +) + +entry( + index = 5098, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S", + kinetics = ArrheniusBM(A=(3.30312e-12,'m^3/(mol*s)'), n=4.84576, w0=(411,'kJ/mol'), E0=(22.934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04274060900298083, var=0.8398175301435473, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S + Total Standard Deviation in ln(k): 1.944558939800229"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S +Total Standard Deviation in ln(k): 1.944558939800229""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S +Total Standard Deviation in ln(k): 1.944558939800229 +""", +) + +entry( + index = 5099, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.52297e-12,'m^3/(mol*s)'), n=4.88472, w0=(411,'kJ/mol'), E0=(23.1654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006067062659340765, var=0.910405482699332, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.9280652750730718"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.9280652750730718""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.9280652750730718 +""", +) + +entry( + index = 5100, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(7.18429e-10,'m^3/(mol*s)'), n=4.07922, w0=(411,'kJ/mol'), E0=(32.2698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12535771623178377, var=0.6616323924729475, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.945636461825094"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.945636461825094""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.945636461825094 +""", +) + +entry( + index = 5101, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.32841e-09,'m^3/(mol*s)'), n=3.93269, w0=(411,'kJ/mol'), E0=(27.7613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17916912234968208, var=2.4503818073036645, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 3.5883249069193948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.5883249069193948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 3.5883249069193948 +""", +) + +entry( + index = 5102, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(3.76157e-13,'m^3/(mol*s)'), n=5.15872, w0=(411,'kJ/mol'), E0=(11.8948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1139886593870918, var=0.4461041245963874, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.625386807356758"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.625386807356758""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.625386807356758 +""", +) + +entry( + index = 5103, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.67834e-11,'m^3/(mol*s)'), n=4.52626, w0=(411,'kJ/mol'), E0=(8.77911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0576026411896267, var=0.3413342194819871, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 1.3159729732212435"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.3159729732212435""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.3159729732212435 +""", +) + +entry( + index = 5104, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(9.33522e-09,'m^3/(mol*s)'), n=3.90117, w0=(411,'kJ/mol'), E0=(25.8334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11616675036438762, var=0.011776156602004472, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 0.5094261008935038"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 0.5094261008935038""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 0.5094261008935038 +""", +) + +entry( + index = 5105, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(1.08866e-07,'m^3/(mol*s)'), n=3.56689, w0=(411,'kJ/mol'), E0=(27.7363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_Sp-7C=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_Sp-7C=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_Sp-7C=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5106, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H", + kinetics = ArrheniusBM(A=(5.55492e-09,'m^3/(mol*s)'), n=3.98009, w0=(411,'kJ/mol'), E0=(26.0281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11295829294759857, var=0.054126253323745356, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H + Total Standard Deviation in ln(k): 0.7502174166548461"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 0.7502174166548461""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_7R!H->C_N-Sp-7C=6R!H +Total Standard Deviation in ln(k): 0.7502174166548461 +""", +) + +entry( + index = 5107, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.64598e-09,'m^3/(mol*s)'), n=4.03235, w0=(411,'kJ/mol'), E0=(39.2211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10469125753183263, var=0.04826960500792771, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 0.7034905692111186"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.7034905692111186""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.7034905692111186 +""", +) + +entry( + index = 5108, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(5.24703e-15,'m^3/(mol*s)'), n=5.69661, w0=(411,'kJ/mol'), E0=(13.7347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12153186349989992, var=0.3108040710983985, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.4229923289980513"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.4229923289980513""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.4229923289980513 +""", +) + +entry( + index = 5109, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(2.61426e-09,'m^3/(mol*s)'), n=4.10973, w0=(411,'kJ/mol'), E0=(37.9582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14835579899263698, var=0.3463531906556665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 1.55257552365452"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 1.55257552365452""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 1.55257552365452 +""", +) + +entry( + index = 5110, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.33811e-08,'m^3/(mol*s)'), n=3.81553, w0=(411,'kJ/mol'), E0=(46.264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22471071306999482, var=0.7662288389814597, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 2.319434573501269"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 2.319434573501269""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 2.319434573501269 +""", +) + +entry( + index = 5111, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(8.51929e-10,'m^3/(mol*s)'), n=4.26565, w0=(411,'kJ/mol'), E0=(32.1927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03502538117635587, var=2.039484416543775, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.950976026848781"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.950976026848781""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.950976026848781 +""", +) + +entry( + index = 5112, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.49388e-08,'m^3/(mol*s)'), n=3.7949, w0=(411,'kJ/mol'), E0=(26.8171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38708099972447235, var=4.250984469009652, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 5.1059112041648005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.1059112041648005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_5R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 5.1059112041648005 +""", +) + +entry( + index = 5113, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S", + kinetics = ArrheniusBM(A=(5.97769e-15,'m^3/(mol*s)'), n=5.73239, w0=(411,'kJ/mol'), E0=(24.3228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028490722046133947, var=6.4679946100813055, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S + Total Standard Deviation in ln(k): 5.170077572650801"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S +Total Standard Deviation in ln(k): 5.170077572650801""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S +Total Standard Deviation in ln(k): 5.170077572650801 +""", +) + +entry( + index = 5114, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.94906e-08,'m^3/(mol*s)'), n=3.8151, w0=(411,'kJ/mol'), E0=(40.238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27425647832152156, var=10.662662269121714, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R + Total Standard Deviation in ln(k): 7.235294864857042"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.235294864857042""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R +Total Standard Deviation in ln(k): 7.235294864857042 +""", +) + +entry( + index = 5115, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.60134e-05,'m^3/(mol*s)'), n=2.79907, w0=(411,'kJ/mol'), E0=(51.1745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37157028932882646, var=10.692498160780097, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R + Total Standard Deviation in ln(k): 7.488954216152115"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.488954216152115""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R +Total Standard Deviation in ln(k): 7.488954216152115 +""", +) + +entry( + index = 5116, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C", + kinetics = ArrheniusBM(A=(7.26632e-13,'m^3/(mol*s)'), n=5.03907, w0=(411,'kJ/mol'), E0=(22.5117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03595665646116894, var=11.459295015658219, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C + Total Standard Deviation in ln(k): 6.876688440984739"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 6.876688440984739""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C +Total Standard Deviation in ln(k): 6.876688440984739 +""", +) + +entry( + index = 5117, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C", + kinetics = ArrheniusBM(A=(6.50552e-13,'m^3/(mol*s)'), n=5.13166, w0=(411,'kJ/mol'), E0=(10.6449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06635411598809754, var=13.897588358366201, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C + Total Standard Deviation in ln(k): 7.640264873852858"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C +Total Standard Deviation in ln(k): 7.640264873852858""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C +Total Standard Deviation in ln(k): 7.640264873852858 +""", +) + +entry( + index = 5118, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.46919e-09,'m^3/(mol*s)'), n=3.96413, w0=(411,'kJ/mol'), E0=(29.687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09931184334868348, var=69.27935869091479, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C_Ext-6R!H-R + Total Standard Deviation in ln(k): 16.935783882142704"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.935783882142704""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_Sp-8C#5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.935783882142704 +""", +) + +entry( + index = 5119, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C", + kinetics = ArrheniusBM(A=(3.68511e-12,'m^3/(mol*s)'), n=4.7845, w0=(411,'kJ/mol'), E0=(28.7675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00930341184204152, var=15.316928131312102, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C + Total Standard Deviation in ln(k): 7.869276457889084"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C +Total Standard Deviation in ln(k): 7.869276457889084""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C +Total Standard Deviation in ln(k): 7.869276457889084 +""", +) + +entry( + index = 5120, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_5C-inRing", + kinetics = ArrheniusBM(A=(1.74428e-10,'m^3/(mol*s)'), n=4.3785, w0=(411,'kJ/mol'), E0=(33.148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023867865801606915, var=6.391959695204003, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_5C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_5C-inRing + Total Standard Deviation in ln(k): 5.128405936653615"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_5C-inRing +Total Standard Deviation in ln(k): 5.128405936653615""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_5C-inRing +Total Standard Deviation in ln(k): 5.128405936653615 +""", +) + +entry( + index = 5121, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing", + kinetics = ArrheniusBM(A=(6.274e-07,'m^3/(mol*s)'), n=3.24874, w0=(411,'kJ/mol'), E0=(44.4257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16159171089191537, var=28.63598844053502, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing + Total Standard Deviation in ln(k): 11.13386886312927"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing +Total Standard Deviation in ln(k): 11.13386886312927""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing +Total Standard Deviation in ln(k): 11.13386886312927 +""", +) + +entry( + index = 5122, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.57974e-09,'m^3/(mol*s)'), n=3.98867, w0=(411,'kJ/mol'), E0=(38.4757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1323650396171117, var=85.25352756470585, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 18.842863154609308"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 18.842863154609308""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_8R!H->C_N-Sp-8C#5C_N-5C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 18.842863154609308 +""", +) + +entry( + index = 5123, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.67934e-07,'m^3/(mol*s)'), n=3.6206, w0=(411,'kJ/mol'), E0=(70.0201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5290668770246121, var=27.39785564222889, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.822690754628516"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.822690754628516""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-1C-R_Ext-5C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.822690754628516 +""", +) + +entry( + index = 5124, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.0972e-19,'m^3/(mol*s)'), n=6.97706, w0=(411,'kJ/mol'), E0=(1.45242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1083772324794739, var=3.640464488616788, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R + Total Standard Deviation in ln(k): 4.097339388582545"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R +Total Standard Deviation in ln(k): 4.097339388582545""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R +Total Standard Deviation in ln(k): 4.097339388582545 +""", +) + +entry( + index = 5125, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C", + kinetics = ArrheniusBM(A=(6.09368e-12,'m^3/(mol*s)'), n=4.95066, w0=(411,'kJ/mol'), E0=(35.9992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08630073953075242, var=3.993581843382866, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C + Total Standard Deviation in ln(k): 4.223088216477522"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 4.223088216477522""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 4.223088216477522 +""", +) + +entry( + index = 5126, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_5C-inRing", + kinetics = ArrheniusBM(A=(2.97512e-09,'m^3/(mol*s)'), n=4.16906, w0=(411,'kJ/mol'), E0=(41.2722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10141901971608713, var=0.008529385551459238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_5C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_5C-inRing + Total Standard Deviation in ln(k): 0.4399683093049863"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_5C-inRing +Total Standard Deviation in ln(k): 0.4399683093049863""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_5C-inRing +Total Standard Deviation in ln(k): 0.4399683093049863 +""", +) + +entry( + index = 5127, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing", + kinetics = ArrheniusBM(A=(4.71571e-12,'m^3/(mol*s)'), n=4.98538, w0=(411,'kJ/mol'), E0=(36.1274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09696256630049034, var=5.20085220648071, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing + Total Standard Deviation in ln(k): 4.815498463308815"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing +Total Standard Deviation in ln(k): 4.815498463308815""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing +Total Standard Deviation in ln(k): 4.815498463308815 +""", +) + +entry( + index = 5128, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C", + kinetics = ArrheniusBM(A=(1.64347e-08,'m^3/(mol*s)'), n=3.92527, w0=(411,'kJ/mol'), E0=(42.2515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06414520634772491, var=9.3137577157817, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C + Total Standard Deviation in ln(k): 6.279309520612228"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C +Total Standard Deviation in ln(k): 6.279309520612228""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C +Total Standard Deviation in ln(k): 6.279309520612228 +""", +) + +entry( + index = 5129, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.41948e-08,'m^3/(mol*s)'), n=3.84548, w0=(411,'kJ/mol'), E0=(40.3269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.192967211543113, var=24.343504349504055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C_Ext-6R!H-R + Total Standard Deviation in ln(k): 10.37603209321833"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 10.37603209321833""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_Sp-7C=5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 10.37603209321833 +""", +) + +entry( + index = 5130, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C", + kinetics = ArrheniusBM(A=(2.23967e-21,'m^3/(mol*s)'), n=7.70187, w0=(411,'kJ/mol'), E0=(1.54891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26700972783418925, var=5.245044898933242, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C + Total Standard Deviation in ln(k): 5.262135618269109"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C +Total Standard Deviation in ln(k): 5.262135618269109""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C +Total Standard Deviation in ln(k): 5.262135618269109 +""", +) + +entry( + index = 5131, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.27425e-09,'m^3/(mol*s)'), n=4.36119, w0=(411,'kJ/mol'), E0=(58.7202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01543455196102516, var=18.097990732001055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C_Ext-6R!H-R + Total Standard Deviation in ln(k): 8.567270783705789"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.567270783705789""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_7R!H->C_N-5C-inRing_N-Sp-7C=5C_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.567270783705789 +""", +) + +entry( + index = 5132, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.42343e-09,'m^3/(mol*s)'), n=4.10052, w0=(411,'kJ/mol'), E0=(54.2964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13231215880192015, var=4.254652936869109, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_N-7R!H->C + Total Standard Deviation in ln(k): 4.467571578374679"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.467571578374679""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-1C-R_N-5R!H->S_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 4.467571578374679 +""", +) + +entry( + index = 5133, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.01788e-09,'m^3/(mol*s)'), n=4.2804, w0=(411,'kJ/mol'), E0=(47.1955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05414080432907171, var=3.9845706183119307, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.137761899208709"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.137761899208709""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.137761899208709 +""", +) + +entry( + index = 5134, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.80391e-11,'m^3/(mol*s)'), n=4.82441, w0=(411,'kJ/mol'), E0=(40.0305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020016546645183864, var=1.4678216251277512, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C + Total Standard Deviation in ln(k): 2.4791033228515427"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 2.4791033228515427""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 2.4791033228515427 +""", +) + +entry( + index = 5135, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_Sp-6C#5R!H", + kinetics = ArrheniusBM(A=(3.92295e-09,'m^3/(mol*s)'), n=4.22102, w0=(411,'kJ/mol'), E0=(40.9201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07712844346241096, var=0.9945250758298625, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_Sp-6C#5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_Sp-6C#5R!H + Total Standard Deviation in ln(k): 2.1930297180067386"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_Sp-6C#5R!H +Total Standard Deviation in ln(k): 2.1930297180067386""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_Sp-6C#5R!H +Total Standard Deviation in ln(k): 2.1930297180067386 +""", +) + +entry( + index = 5136, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H", + kinetics = ArrheniusBM(A=(1.94527e-10,'m^3/(mol*s)'), n=4.49535, w0=(411,'kJ/mol'), E0=(45.1418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008705575614855857, var=1.0330340321502067, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H + Total Standard Deviation in ln(k): 2.0594515923027825"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H +Total Standard Deviation in ln(k): 2.0594515923027825""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H +Total Standard Deviation in ln(k): 2.0594515923027825 +""", +) + +entry( + index = 5137, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_5R!H-inRing", + kinetics = ArrheniusBM(A=(5.0313e-10,'m^3/(mol*s)'), n=4.42284, w0=(411,'kJ/mol'), E0=(46.396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04734674653409733, var=3.2529214273687015, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_5R!H-inRing + Total Standard Deviation in ln(k): 3.7346732204424598"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_5R!H-inRing +Total Standard Deviation in ln(k): 3.7346732204424598""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_5R!H-inRing +Total Standard Deviation in ln(k): 3.7346732204424598 +""", +) + +entry( + index = 5138, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(6.66003e-10,'m^3/(mol*s)'), n=4.29649, w0=(411,'kJ/mol'), E0=(46.2722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05366224051457636, var=2.039153436328501, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_N-5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_N-5R!H-inRing + Total Standard Deviation in ln(k): 2.9975699866710155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.9975699866710155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_6R!H->C_N-Sp-6C#5R!H_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.9975699866710155 +""", +) + +entry( + index = 5139, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(7.44696e-10,'m^3/(mol*s)'), n=4.19273, w0=(411,'kJ/mol'), E0=(55.0482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13473332407073935, var=25.93723125253867, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_N-6R!H->C + Total Standard Deviation in ln(k): 10.548362654398488"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 10.548362654398488""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 10.548362654398488 +""", +) + +entry( + index = 5140, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_5R!H->C", + kinetics = ArrheniusBM(A=(7.17148e-09,'m^3/(mol*s)'), n=4.10414, w0=(411,'kJ/mol'), E0=(39.1024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2111344691513483, var=1.8651870970651578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_5R!H->C + Total Standard Deviation in ln(k): 3.2683924544043985"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 3.2683924544043985""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_5R!H->C +Total Standard Deviation in ln(k): 3.2683924544043985 +""", +) + +entry( + index = 5141, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.39e-10,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(36.8192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.551115123129524e-16, var=1.503987967707149e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->C + Total Standard Deviation in ln(k): 7.914095238238141e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 7.914095238238141e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_1CO->C_N-4BrCClNOS->Cl_N-4BrCNOS->Br_N-4CNOS->C_N-4NOS->N_N-4OS->O_N-1C-inRing_Ext-1C-R_N-Sp-5R!H=1C_N-5R!H->C +Total Standard Deviation in ln(k): 7.914095238238141e-14 +""", +) + +entry( + index = 5142, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C", + kinetics = ArrheniusBM(A=(2.53442e+11,'m^3/(mol*s)'), n=-1.53613, w0=(435,'kJ/mol'), E0=(65.2376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39417245943667956, var=3.7579652171696436, Tref=1000.0, N=188, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C',), comment="""BM rule fitted to 188 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C + Total Standard Deviation in ln(k): 4.876656619703443"""), + rank = 11, + shortDesc = """BM rule fitted to 188 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C +Total Standard Deviation in ln(k): 4.876656619703443""", + longDesc = +""" +BM rule fitted to 188 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C +Total Standard Deviation in ln(k): 4.876656619703443 +""", +) + +entry( + index = 5143, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O", + kinetics = ArrheniusBM(A=(3.0659e+06,'m^3/(mol*s)'), n=-0.29483, w0=(435,'kJ/mol'), E0=(34.4103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3626878633884278, var=0.2660398249071177, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O + Total Standard Deviation in ln(k): 1.9452993174834035"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O +Total Standard Deviation in ln(k): 1.9452993174834035""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O +Total Standard Deviation in ln(k): 1.9452993174834035 +""", +) + +entry( + index = 5144, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(18.5646,'m^3/(mol*s)'), n=1.29941, w0=(435,'kJ/mol'), E0=(35.0881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07945345293859106, var=4.1476650395945835, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R + Total Standard Deviation in ln(k): 4.282438572534672"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 4.282438572534672""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 4.282438572534672 +""", +) + +entry( + index = 5145, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R", + kinetics = ArrheniusBM(A=(0.0057388,'m^3/(mol*s)'), n=1.997, w0=(435,'kJ/mol'), E0=(18.6196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31154167013505035, var=0.9973704219322287, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R + Total Standard Deviation in ln(k): 2.7848655540683636"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R +Total Standard Deviation in ln(k): 2.7848655540683636""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R +Total Standard Deviation in ln(k): 2.7848655540683636 +""", +) + +entry( + index = 5146, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(4.52797e-11,'m^3/(mol*s)'), n=4.61535, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24301658481995275, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R + Total Standard Deviation in ln(k): 0.6105944342209868"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.6105944342209868""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.6105944342209868 +""", +) + +entry( + index = 5147, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R_Ext-7R!H-R_Ext-8R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.52796e-11,'m^3/(mol*s)'), n=4.61535, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R_Ext-7R!H-R_Ext-8R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R_Ext-7R!H-R_Ext-8R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R_Ext-7R!H-R_Ext-8R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-4O-R_Ext-1O-R_Ext-7R!H-R_Ext-8R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5148, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.029119,'m^3/(mol*s)'), n=2.14624, w0=(435,'kJ/mol'), E0=(28.4206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13319478471450416, var=0.5305435654009428, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.794877649750505"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.794877649750505""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.794877649750505 +""", +) + +entry( + index = 5149, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(3.54694e-08,'m^3/(mol*s)'), n=3.83745, w0=(435,'kJ/mol'), E0=(7.6881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07249523114088394, var=0.09588718438272341, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R + Total Standard Deviation in ln(k): 0.8029281872521781"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.8029281872521781""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.8029281872521781 +""", +) + +entry( + index = 5150, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.73e-05,'m^3/(mol*s)'), n=3.05, w0=(435,'kJ/mol'), E0=(16.1058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016223371036999123, var=3.4869257381465265e-29, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.04076223878644179"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.04076223878644179""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R_Ext-1O-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.04076223878644179 +""", +) + +entry( + index = 5151, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(0.00725717,'m^3/(mol*s)'), n=2.24438, w0=(435,'kJ/mol'), E0=(23.7298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2865069294796191, var=0.08520642461045683, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-1O-R + Total Standard Deviation in ln(k): 1.3050516233933247"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-1O-R +Total Standard Deviation in ln(k): 1.3050516233933247""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-1O-R +Total Standard Deviation in ln(k): 1.3050516233933247 +""", +) + +entry( + index = 5152, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R", + kinetics = ArrheniusBM(A=(1.18489e+08,'m^3/(mol*s)'), n=-0.902862, w0=(435,'kJ/mol'), E0=(26.4604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5153, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(326.62,'m^3/(mol*s)'), n=0.827882, w0=(435,'kJ/mol'), E0=(38.094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42699710264422946, var=7.105926431285816, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R + Total Standard Deviation in ln(k): 6.41686803481524"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R +Total Standard Deviation in ln(k): 6.41686803481524""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R +Total Standard Deviation in ln(k): 6.41686803481524 +""", +) + +entry( + index = 5154, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(4.48899e-09,'m^3/(mol*s)'), n=4.10254, w0=(435,'kJ/mol'), E0=(17.7532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5155, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(2.43872e+06,'m^3/(mol*s)'), n=-0.444393, w0=(435,'kJ/mol'), E0=(30.7268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-1O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5156, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O", + kinetics = ArrheniusBM(A=(3.74326e+11,'m^3/(mol*s)'), n=-1.4948, w0=(435,'kJ/mol'), E0=(72.8145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.312563618016969, var=6.824827041433472, Tref=1000.0, N=171, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O',), comment="""BM rule fitted to 171 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O + Total Standard Deviation in ln(k): 6.0225798006409965"""), + rank = 11, + shortDesc = """BM rule fitted to 171 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O +Total Standard Deviation in ln(k): 6.0225798006409965""", + longDesc = +""" +BM rule fitted to 171 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O +Total Standard Deviation in ln(k): 6.0225798006409965 +""", +) + +entry( + index = 5157, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C", + kinetics = ArrheniusBM(A=(3.12255e+10,'m^3/(mol*s)'), n=-1.1845, w0=(435,'kJ/mol'), E0=(70.0786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2047735167756142, var=7.523373787968405, Tref=1000.0, N=144, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C',), comment="""BM rule fitted to 144 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C + Total Standard Deviation in ln(k): 6.013247894291429"""), + rank = 11, + shortDesc = """BM rule fitted to 144 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C +Total Standard Deviation in ln(k): 6.013247894291429""", + longDesc = +""" +BM rule fitted to 144 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C +Total Standard Deviation in ln(k): 6.013247894291429 +""", +) + +entry( + index = 5158, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(331875,'m^3/(mol*s)'), n=0.128953, w0=(435,'kJ/mol'), E0=(59.0481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33033553936672294, var=6.211325321864545, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R + Total Standard Deviation in ln(k): 5.826295926232523"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.826295926232523""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.826295926232523 +""", +) + +entry( + index = 5159, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_5R!H->N", + kinetics = ArrheniusBM(A=(4796.79,'m^3/(mol*s)'), n=0.772754, w0=(435,'kJ/mol'), E0=(23.8762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5160, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N", + kinetics = ArrheniusBM(A=(55439.2,'m^3/(mol*s)'), n=0.346275, w0=(435,'kJ/mol'), E0=(57.5138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3163742627523221, var=6.250306185487421, Tref=1000.0, N=62, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N',), comment="""BM rule fitted to 62 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N + Total Standard Deviation in ln(k): 5.806870664059599"""), + rank = 11, + shortDesc = """BM rule fitted to 62 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N +Total Standard Deviation in ln(k): 5.806870664059599""", + longDesc = +""" +BM rule fitted to 62 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N +Total Standard Deviation in ln(k): 5.806870664059599 +""", +) + +entry( + index = 5161, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.53639e+07,'m^3/(mol*s)'), n=-0.310163, w0=(435,'kJ/mol'), E0=(60.3723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3605028897560479, var=7.91155080955249, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R + Total Standard Deviation in ln(k): 6.544600555757729"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R +Total Standard Deviation in ln(k): 6.544600555757729""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R +Total Standard Deviation in ln(k): 6.544600555757729 +""", +) + +entry( + index = 5162, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C", + kinetics = ArrheniusBM(A=(8.88483e+10,'m^3/(mol*s)'), n=-1.20765, w0=(435,'kJ/mol'), E0=(64.3723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9894656676935103, var=16.306501892837456, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C + Total Standard Deviation in ln(k): 10.581477485320297"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 10.581477485320297""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 10.581477485320297 +""", +) + +entry( + index = 5163, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.24666e+09,'m^3/(mol*s)'), n=-0.692543, w0=(435,'kJ/mol'), E0=(59.0983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1394024085638037, var=14.858944731412297, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R + Total Standard Deviation in ln(k): 10.590532920164831"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 10.590532920164831""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 10.590532920164831 +""", +) + +entry( + index = 5164, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.71108e+06,'m^3/(mol*s)'), n=0.121295, w0=(435,'kJ/mol'), E0=(43.924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.537831402239766, var=128.01915499797622, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 39.10939737281857"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 39.10939737281857""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 39.10939737281857 +""", +) + +entry( + index = 5165, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(58.0784,'m^3/(mol*s)'), n=0.596933, w0=(435,'kJ/mol'), E0=(34.7348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18393726540760819, var=5.25163503585947, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R + Total Standard Deviation in ln(k): 5.056294275347801"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 5.056294275347801""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 5.056294275347801 +""", +) + +entry( + index = 5166, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_9R!H-u0", + kinetics = ArrheniusBM(A=(5.97044e+06,'m^3/(mol*s)'), n=-0.812292, w0=(435,'kJ/mol'), E0=(48.374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_9R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_9R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_9R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_9R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5167, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_N-9R!H-u0", + kinetics = ArrheniusBM(A=(641400,'m^3/(mol*s)'), n=-0.588256, w0=(435,'kJ/mol'), E0=(60.0054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_N-9R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_N-9R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_N-9R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R_N-9R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5168, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(1.455e-06,'m^3/(mol*s)'), n=3.31, w0=(435,'kJ/mol'), E0=(28.2358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5169, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R", + kinetics = ArrheniusBM(A=(5.0247e+12,'m^3/(mol*s)'), n=-2.39386, w0=(435,'kJ/mol'), E0=(73.5646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47007127538930765, var=16.111856059306835, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R + Total Standard Deviation in ln(k): 9.228005317451547"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R +Total Standard Deviation in ln(k): 9.228005317451547""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R +Total Standard Deviation in ln(k): 9.228005317451547 +""", +) + +entry( + index = 5170, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.00727286,'m^3/(mol*s)'), n=1.58931, w0=(435,'kJ/mol'), E0=(35.9916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6783332444933737, var=24.812470178843345, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_7R!H->C + Total Standard Deviation in ln(k): 11.69036474452275"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_7R!H->C +Total Standard Deviation in ln(k): 11.69036474452275""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_7R!H->C +Total Standard Deviation in ln(k): 11.69036474452275 +""", +) + +entry( + index = 5171, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(12527.8,'m^3/(mol*s)'), n=0.339609, w0=(435,'kJ/mol'), E0=(40.0713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0221472862917902, var=0.046774843972216616, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C + Total Standard Deviation in ln(k): 0.489220380131881"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.489220380131881""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C +Total Standard Deviation in ln(k): 0.489220380131881 +""", +) + +entry( + index = 5172, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(845.824,'m^3/(mol*s)'), n=0.738506, w0=(435,'kJ/mol'), E0=(40.8414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5173, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(362652,'m^3/(mol*s)'), n=-0.142669, w0=(435,'kJ/mol'), E0=(40.4329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_5BrCClFIOPSSi->C_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5174, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C", + kinetics = ArrheniusBM(A=(0.000149348,'m^3/(mol*s)'), n=3.07939, w0=(435,'kJ/mol'), E0=(16.7555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32702323859570076, var=0.06587679902447832, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C + Total Standard Deviation in ln(k): 1.3362112761299743"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 1.3362112761299743""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 1.3362112761299743 +""", +) + +entry( + index = 5175, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.71622e-05,'m^3/(mol*s)'), n=3.28002, w0=(435,'kJ/mol'), E0=(17.7992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09346676627363301, var=0.39825236577513196, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R + Total Standard Deviation in ln(k): 1.49997408481549"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.49997408481549""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.49997408481549 +""", +) + +entry( + index = 5176, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.08731e-05,'m^3/(mol*s)'), n=3.29609, w0=(435,'kJ/mol'), E0=(19.0417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6268344020668798, var=0.29209861893413214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 2.658442910189957"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 2.658442910189957""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 2.658442910189957 +""", +) + +entry( + index = 5177, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.80535e-05,'m^3/(mol*s)'), n=3.31311, w0=(435,'kJ/mol'), E0=(15.8766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_Ext-3C-R_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5178, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C", + kinetics = ArrheniusBM(A=(107.803,'m^3/(mol*s)'), n=1.12724, w0=(435,'kJ/mol'), E0=(49.9852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28800828273889095, var=6.287210833480162, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C + Total Standard Deviation in ln(k): 5.7503740265390615"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 5.7503740265390615""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 5.7503740265390615 +""", +) + +entry( + index = 5179, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(152.501,'m^3/(mol*s)'), n=1.07386, w0=(435,'kJ/mol'), E0=(51.2802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2823029934813885, var=5.937733580059611, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R + Total Standard Deviation in ln(k): 5.594335217757726"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.594335217757726""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 5.594335217757726 +""", +) + +entry( + index = 5180, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(38.2667,'m^3/(mol*s)'), n=1.24867, w0=(435,'kJ/mol'), E0=(47.1249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20753955256657747, var=9.711058085433255, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.768726007480916"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.768726007480916""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.768726007480916 +""", +) + +entry( + index = 5181, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C", + kinetics = ArrheniusBM(A=(654.635,'m^3/(mol*s)'), n=0.803052, w0=(435,'kJ/mol'), E0=(16.8617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27300129899175724, var=135.82381690083017, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C + Total Standard Deviation in ln(k): 24.049812256946627"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 24.049812256946627""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C +Total Standard Deviation in ln(k): 24.049812256946627 +""", +) + +entry( + index = 5182, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R", + kinetics = ArrheniusBM(A=(3386.71,'m^3/(mol*s)'), n=0.18117, w0=(435,'kJ/mol'), E0=(37.2411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006695718092014375, var=1.1431582249036016, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R + Total Standard Deviation in ln(k): 2.1602576429110174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R +Total Standard Deviation in ln(k): 2.1602576429110174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R +Total Standard Deviation in ln(k): 2.1602576429110174 +""", +) + +entry( + index = 5183, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_8R!H-u0", + kinetics = ArrheniusBM(A=(425307,'m^3/(mol*s)'), n=-0.393421, w0=(435,'kJ/mol'), E0=(43.8366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_8R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_8R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5184, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_N-8R!H-u0", + kinetics = ArrheniusBM(A=(45690.4,'m^3/(mol*s)'), n=-0.169384, w0=(435,'kJ/mol'), E0=(45.8843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_N-8R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_N-8R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_N-8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_7R!H->C_Ext-1O-R_N-8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5185, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(765.193,'m^3/(mol*s)'), n=0.879889, w0=(435,'kJ/mol'), E0=(51.4594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2235914548561853, var=8.593690423824341, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.438667829972328"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.438667829972328""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.438667829972328 +""", +) + +entry( + index = 5186, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R", + kinetics = ArrheniusBM(A=(3.87346e-11,'m^3/(mol*s)'), n=4.638, w0=(435,'kJ/mol'), E0=(0.00927343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028937390231445783, var=2.175315242100735, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R + Total Standard Deviation in ln(k): 3.029480739743693"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R +Total Standard Deviation in ln(k): 3.029480739743693""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R +Total Standard Deviation in ln(k): 3.029480739743693 +""", +) + +entry( + index = 5187, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_Sp-7BrClFINOPSSi-6R!H", + kinetics = ArrheniusBM(A=(6.75e-07,'m^3/(mol*s)'), n=3.42, w0=(435,'kJ/mol'), E0=(23.7828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.041163453419672785, var=3.2602633407246406e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_Sp-7BrClFINOPSSi-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_Sp-7BrClFINOPSSi-6R!H + Total Standard Deviation in ln(k): 0.10342576236099052"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_Sp-7BrClFINOPSSi-6R!H +Total Standard Deviation in ln(k): 0.10342576236099052""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_Sp-7BrClFINOPSSi-6R!H +Total Standard Deviation in ln(k): 0.10342576236099052 +""", +) + +entry( + index = 5188, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_N-Sp-7BrClFINOPSSi-6R!H", + kinetics = ArrheniusBM(A=(8.3e-14,'m^3/(mol*s)'), n=5.407, w0=(435,'kJ/mol'), E0=(13.7356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_N-Sp-7BrClFINOPSSi-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_N-Sp-7BrClFINOPSSi-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_N-Sp-7BrClFINOPSSi-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-6R!H-R_N-7R!H->C_Ext-1O-R_N-Sp-7BrClFINOPSSi-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5189, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(61.8159,'m^3/(mol*s)'), n=1.10497, w0=(435,'kJ/mol'), E0=(45.588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34127193256946253, var=32.24568081836609, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 12.241411537719756"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 12.241411537719756""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 12.241411537719756 +""", +) + +entry( + index = 5190, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.05361e-09,'m^3/(mol*s)'), n=4.38213, w0=(435,'kJ/mol'), E0=(17.7068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3785701734558744, var=46.23992622886744, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 19.608494620377197"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 19.608494620377197""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 19.608494620377197 +""", +) + +entry( + index = 5191, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(3.01632e-08,'m^3/(mol*s)'), n=3.94027, w0=(435,'kJ/mol'), E0=(83.2958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R_Ext-1O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R_Ext-1O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5192, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(4.34914e-06,'m^3/(mol*s)'), n=2.71047, w0=(435,'kJ/mol'), E0=(11.6211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018906395104998013, var=5.721477304747351e-18, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R + Total Standard Deviation in ln(k): 0.0475035100841878"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.0475035100841878""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.0475035100841878 +""", +) + +entry( + index = 5193, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(0.337622,'m^3/(mol*s)'), n=1.78941, w0=(435,'kJ/mol'), E0=(40.2122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015325655559996784, var=0.7660299670069511, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C + Total Standard Deviation in ln(k): 1.7931137188314077"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 1.7931137188314077""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C +Total Standard Deviation in ln(k): 1.7931137188314077 +""", +) + +entry( + index = 5194, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C", + kinetics = ArrheniusBM(A=(0.0143231,'m^3/(mol*s)'), n=2.14881, w0=(435,'kJ/mol'), E0=(36.6722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.024593766368644104, var=0.41045594584039996, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C + Total Standard Deviation in ln(k): 1.3461637144998464"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C +Total Standard Deviation in ln(k): 1.3461637144998464""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C +Total Standard Deviation in ln(k): 1.3461637144998464 +""", +) + +entry( + index = 5195, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.0027367,'m^3/(mol*s)'), n=2.36829, w0=(435,'kJ/mol'), E0=(35.8003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023045869156621518, var=0.7383273855166157, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.7804924340750512"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.7804924340750512""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.7804924340750512 +""", +) + +entry( + index = 5196, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(3.145e-07,'m^3/(mol*s)'), n=3.52, w0=(435,'kJ/mol'), E0=(26.394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.059400923402035885, var=7.887703865136255e-31, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R_Ext-1O-R + Total Standard Deviation in ln(k): 0.14924855126139847"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.14924855126139847""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_6R!H->C_Ext-5C-R_Ext-1O-R +Total Standard Deviation in ln(k): 0.14924855126139847 +""", +) + +entry( + index = 5197, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.03661e-05,'m^3/(mol*s)'), n=2.99072, w0=(435,'kJ/mol'), E0=(-48.5522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_Sp-6R!H-4C_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5198, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C", + kinetics = ArrheniusBM(A=(1.93417e+09,'m^3/(mol*s)'), n=-0.833681, w0=(435,'kJ/mol'), E0=(79.0094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24532436733943846, var=15.531880830488618, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C + Total Standard Deviation in ln(k): 8.517155516384332"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 8.517155516384332""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C +Total Standard Deviation in ln(k): 8.517155516384332 +""", +) + +entry( + index = 5199, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R", + kinetics = ArrheniusBM(A=(4.31838e-13,'m^3/(mol*s)'), n=5.29612, w0=(435,'kJ/mol'), E0=(26.0498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27498717067703043, var=2.524131095633268, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R + Total Standard Deviation in ln(k): 3.875948253623747"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R +Total Standard Deviation in ln(k): 3.875948253623747""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R +Total Standard Deviation in ln(k): 3.875948253623747 +""", +) + +entry( + index = 5200, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.29151e-07,'m^3/(mol*s)'), n=3.75041, w0=(435,'kJ/mol'), E0=(36.7421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21598942455264591, var=0.0034650896223441955, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C + Total Standard Deviation in ln(k): 0.6606957504885521"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 0.6606957504885521""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 0.6606957504885521 +""", +) + +entry( + index = 5201, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.70068e-07,'m^3/(mol*s)'), n=3.71554, w0=(435,'kJ/mol'), E0=(36.8958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24129933820146587, var=5.606099251540057e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6062947544559513"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6062947544559513""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_6R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6062947544559513 +""", +) + +entry( + index = 5202, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(7.22232e-22,'m^3/(mol*s)'), n=7.77575, w0=(435,'kJ/mol'), E0=(3.78617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.077012341790272, var=18.942018348751898, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C + Total Standard Deviation in ln(k): 16.456280815689556"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 16.456280815689556""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 16.456280815689556 +""", +) + +entry( + index = 5203, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.46261e-13,'m^3/(mol*s)'), n=5.25857, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09868216896235156, var=3.8518598887744726e-34, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.24794514814661198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.24794514814661198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.24794514814661198 +""", +) + +entry( + index = 5204, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.46261e-13,'m^3/(mol*s)'), n=5.25857, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-4C-R_N-Sp-6R!H-4C_Ext-1O-R_N-6R!H->C_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5205, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R", + kinetics = ArrheniusBM(A=(1.65829,'m^3/(mol*s)'), n=1.8398, w0=(435,'kJ/mol'), E0=(28.311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.67954045040476, var=21.99764017182409, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R + Total Standard Deviation in ln(k): 13.622487559963204"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R +Total Standard Deviation in ln(k): 13.622487559963204""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R +Total Standard Deviation in ln(k): 13.622487559963204 +""", +) + +entry( + index = 5206, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.0117092,'m^3/(mol*s)'), n=1.97923, w0=(435,'kJ/mol'), E0=(37.0369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35715558730617003, var=36.802599293278035, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_6R!H->C + Total Standard Deviation in ln(k): 13.059130447332624"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 13.059130447332624""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 13.059130447332624 +""", +) + +entry( + index = 5207, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.00488925,'m^3/(mol*s)'), n=2.61252, w0=(435,'kJ/mol'), E0=(10.0709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4623092124347277, var=13.36602206490913, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.003369120526349"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.003369120526349""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.003369120526349 +""", +) + +entry( + index = 5208, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(0.0101623,'m^3/(mol*s)'), n=2.5848, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3965731890362795, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R + Total Standard Deviation in ln(k): 0.996415047829848"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R +Total Standard Deviation in ln(k): 0.996415047829848""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R +Total Standard Deviation in ln(k): 0.996415047829848 +""", +) + +entry( + index = 5209, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0101623,'m^3/(mol*s)'), n=2.5848, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5210, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(8.09098e-05,'m^3/(mol*s)'), n=2.81267, w0=(435,'kJ/mol'), E0=(31.7648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02459495871103036, var=13.519618272883854, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 7.433013508139641"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 7.433013508139641""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 7.433013508139641 +""", +) + +entry( + index = 5211, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(784963,'m^3/(mol*s)'), n=-0.194587, w0=(435,'kJ/mol'), E0=(45.9722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5212, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C", + kinetics = ArrheniusBM(A=(17159.1,'m^3/(mol*s)'), n=0.357413, w0=(435,'kJ/mol'), E0=(59.0879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42412228438003624, var=3.8522575056516004, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C + Total Standard Deviation in ln(k): 5.0003612335029475"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 5.0003612335029475""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 5.0003612335029475 +""", +) + +entry( + index = 5213, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(92.8287,'m^3/(mol*s)'), n=1.05451, w0=(435,'kJ/mol'), E0=(55.0324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3563655416105648, var=3.4980109014211673, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R + Total Standard Deviation in ln(k): 4.644840826911501"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.644840826911501""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.644840826911501 +""", +) + +entry( + index = 5214, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(5.41762e-05,'m^3/(mol*s)'), n=3.02647, w0=(435,'kJ/mol'), E0=(7.85699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12114471828446742, var=0.08692496959561485, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 0.8954405754707564"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 0.8954405754707564""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 0.8954405754707564 +""", +) + +entry( + index = 5215, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.91296e-05,'m^3/(mol*s)'), n=3.1321, w0=(435,'kJ/mol'), E0=(10.1957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5216, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(26.7599,'m^3/(mol*s)'), n=1.11683, w0=(435,'kJ/mol'), E0=(57.0651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24463339449983748, var=3.371859548551477, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R + Total Standard Deviation in ln(k): 4.295876385692887"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 4.295876385692887""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 4.295876385692887 +""", +) + +entry( + index = 5217, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_7R!H->C", + kinetics = ArrheniusBM(A=(9.69742e-13,'m^3/(mol*s)'), n=4.84036, w0=(435,'kJ/mol'), E0=(22.1268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5218, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(7.30981,'m^3/(mol*s)'), n=1.31017, w0=(435,'kJ/mol'), E0=(55.2217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4303460264625854, var=4.239090971790128, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C + Total Standard Deviation in ln(k): 5.20883106874976"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.20883106874976""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C +Total Standard Deviation in ln(k): 5.20883106874976 +""", +) + +entry( + index = 5219, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(2.61271e-09,'m^3/(mol*s)'), n=3.95716, w0=(435,'kJ/mol'), E0=(27.0865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13635967004953614, var=0.8296922361680577, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 2.1686741670659924"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 2.1686741670659924""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 2.1686741670659924 +""", +) + +entry( + index = 5220, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(5.36101e-10,'m^3/(mol*s)'), n=4.16885, w0=(435,'kJ/mol'), E0=(22.8585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08736356953494151, var=0.7418668228668758, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R + Total Standard Deviation in ln(k): 1.9462186823218315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R +Total Standard Deviation in ln(k): 1.9462186823218315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R +Total Standard Deviation in ln(k): 1.9462186823218315 +""", +) + +entry( + index = 5221, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.75537e-10,'m^3/(mol*s)'), n=4.32289, w0=(435,'kJ/mol'), E0=(18.9101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5222, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(0.000808507,'m^3/(mol*s)'), n=2.62264, w0=(435,'kJ/mol'), E0=(43.8088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-4C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5223, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R", + kinetics = ArrheniusBM(A=(118.744,'m^3/(mol*s)'), n=0.796394, w0=(435,'kJ/mol'), E0=(51.5067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4513879932312074, var=2.5261768072207493, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R + Total Standard Deviation in ln(k): 4.320456810023858"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R +Total Standard Deviation in ln(k): 4.320456810023858""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R +Total Standard Deviation in ln(k): 4.320456810023858 +""", +) + +entry( + index = 5224, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(2.81686e-12,'m^3/(mol*s)'), n=4.7, w0=(435,'kJ/mol'), E0=(8.22362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053246943799721266, var=0.33451167831233497, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0 + Total Standard Deviation in ln(k): 1.293264608157896"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0 +Total Standard Deviation in ln(k): 1.293264608157896""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0 +Total Standard Deviation in ln(k): 1.293264608157896 +""", +) + +entry( + index = 5225, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_6R!H->C", + kinetics = ArrheniusBM(A=(1.0269e-10,'m^3/(mol*s)'), n=4.31035, w0=(435,'kJ/mol'), E0=(19.0564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5226, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.33662e-10,'m^3/(mol*s)'), n=4.20046, w0=(435,'kJ/mol'), E0=(19.0376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14201167117437324, var=0.3558154371712318, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C + Total Standard Deviation in ln(k): 1.5526430735806227"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 1.5526430735806227""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 1.5526430735806227 +""", +) + +entry( + index = 5227, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R", + kinetics = ArrheniusBM(A=(2.35077e-11,'m^3/(mol*s)'), n=4.40995, w0=(435,'kJ/mol'), E0=(6.21267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03245936648619852, var=0.6628338197448982, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R + Total Standard Deviation in ln(k): 1.713703377480459"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R +Total Standard Deviation in ln(k): 1.713703377480459""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R +Total Standard Deviation in ln(k): 1.713703377480459 +""", +) + +entry( + index = 5228, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.03235e-11,'m^3/(mol*s)'), n=4.42738, w0=(435,'kJ/mol'), E0=(17.7142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5229, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(2.33936e+15,'m^3/(mol*s)'), n=-3.00757, w0=(435,'kJ/mol'), E0=(8.8586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_Ext-3C-R_N-5R!H->N_N-5BrCClFIOPSSi->C_Ext-1O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5230, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing", + kinetics = ArrheniusBM(A=(8.26782,'m^3/(mol*s)'), n=1.39621, w0=(435,'kJ/mol'), E0=(33.0992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17111438546670413, var=3.4048009369592442, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing + Total Standard Deviation in ln(k): 4.1290933933822895"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing +Total Standard Deviation in ln(k): 4.1290933933822895""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing +Total Standard Deviation in ln(k): 4.1290933933822895 +""", +) + +entry( + index = 5231, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R", + kinetics = ArrheniusBM(A=(0.00241213,'m^3/(mol*s)'), n=2.37888, w0=(435,'kJ/mol'), E0=(23.3819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.903684108944133, var=17.455590728584717, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R + Total Standard Deviation in ln(k): 13.158886677921307"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R +Total Standard Deviation in ln(k): 13.158886677921307""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R +Total Standard Deviation in ln(k): 13.158886677921307 +""", +) + +entry( + index = 5232, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(0.00735847,'m^3/(mol*s)'), n=2.31538, w0=(435,'kJ/mol'), E0=(28.8774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.357473491274873, var=30.090479841445653, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_5R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_5R!H-u0 + Total Standard Deviation in ln(k): 16.920232393654437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_5R!H-u0 +Total Standard Deviation in ln(k): 16.920232393654437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_5R!H-u0 +Total Standard Deviation in ln(k): 16.920232393654437 +""", +) + +entry( + index = 5233, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(2.22454e+08,'m^3/(mol*s)'), n=-1.24786, w0=(435,'kJ/mol'), E0=(38.0758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_4C-inRing_Ext-1O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5234, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(1.47729e+11,'m^3/(mol*s)'), n=-1.37059, w0=(435,'kJ/mol'), E0=(71.8312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21191168056769724, var=8.17571437805402, Tref=1000.0, N=76, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing',), comment="""BM rule fitted to 76 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing + Total Standard Deviation in ln(k): 6.2646217424089965"""), + rank = 11, + shortDesc = """BM rule fitted to 76 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing +Total Standard Deviation in ln(k): 6.2646217424089965""", + longDesc = +""" +BM rule fitted to 76 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing +Total Standard Deviation in ln(k): 6.2646217424089965 +""", +) + +entry( + index = 5235, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.78589e+14,'m^3/(mol*s)'), n=-2.29292, w0=(435,'kJ/mol'), E0=(82.8965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03466931709308606, var=21.207977432117158, Tref=1000.0, N=61, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R',), comment="""BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 9.319338843242688"""), + rank = 11, + shortDesc = """BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 9.319338843242688""", + longDesc = +""" +BM rule fitted to 61 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 9.319338843242688 +""", +) + +entry( + index = 5236, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C", + kinetics = ArrheniusBM(A=(74.0378,'m^3/(mol*s)'), n=1.19413, w0=(435,'kJ/mol'), E0=(54.964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4620057243311301, var=0.7230956940482568, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C + Total Standard Deviation in ln(k): 2.8655455496282576"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 2.8655455496282576""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 2.8655455496282576 +""", +) + +entry( + index = 5237, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C", + kinetics = ArrheniusBM(A=(7.27256,'m^3/(mol*s)'), n=1.62346, w0=(435,'kJ/mol'), E0=(61.3246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33763731659326224, var=1.2608709449816478, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C + Total Standard Deviation in ln(k): 3.099422111650292"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C +Total Standard Deviation in ln(k): 3.099422111650292""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C +Total Standard Deviation in ln(k): 3.099422111650292 +""", +) + +entry( + index = 5238, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.47886,'m^3/(mol*s)'), n=1.80054, w0=(435,'kJ/mol'), E0=(60.1181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24259285640248882, var=2.741682197945316, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R + Total Standard Deviation in ln(k): 3.9289753118032937"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R +Total Standard Deviation in ln(k): 3.9289753118032937""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R +Total Standard Deviation in ln(k): 3.9289753118032937 +""", +) + +entry( + index = 5239, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(0.000175745,'m^3/(mol*s)'), n=2.91838, w0=(435,'kJ/mol'), E0=(50.8579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14029187442275518, var=3.2373036517874683, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R + Total Standard Deviation in ln(k): 3.9595134558430853"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 3.9595134558430853""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R +Total Standard Deviation in ln(k): 3.9595134558430853 +""", +) + +entry( + index = 5240, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(9.05113e-08,'m^3/(mol*s)'), n=3.78005, w0=(435,'kJ/mol'), E0=(28.6069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.024604337569870193, var=9.63446977137343e-29, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_Sp-8R!H-7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 0.0618199436429096"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 0.0618199436429096""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 0.0618199436429096 +""", +) + +entry( + index = 5241, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_N-Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(3.26501e-12,'m^3/(mol*s)'), n=5.21386, w0=(435,'kJ/mol'), E0=(41.9788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6645164186262787, var=13.681470578337976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_N-Sp-8R!H-7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_N-Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 9.084847962245563"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 9.084847962245563""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-4C-R_Ext-1O-R_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 9.084847962245563 +""", +) + +entry( + index = 5242, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R", + kinetics = ArrheniusBM(A=(0.000344464,'m^3/(mol*s)'), n=2.86697, w0=(435,'kJ/mol'), E0=(50.1139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2749752558709162, var=0.39968752590663503, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R + Total Standard Deviation in ln(k): 1.9583030612550938"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R +Total Standard Deviation in ln(k): 1.9583030612550938""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R +Total Standard Deviation in ln(k): 1.9583030612550938 +""", +) + +entry( + index = 5243, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_6R!H->C", + kinetics = ArrheniusBM(A=(2.13129e-07,'m^3/(mol*s)'), n=3.72299, w0=(435,'kJ/mol'), E0=(32.9678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12073712010229816, var=9.54289156492095e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_6R!H->C + Total Standard Deviation in ln(k): 0.30335959824704223"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 0.30335959824704223""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 0.30335959824704223 +""", +) + +entry( + index = 5244, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.10089e-08,'m^3/(mol*s)'), n=4.21446, w0=(435,'kJ/mol'), E0=(44.8573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2614240321432294, var=0.09638430494382678, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C + Total Standard Deviation in ln(k): 1.2792307809764194"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.2792307809764194""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.2792307809764194 +""", +) + +entry( + index = 5245, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.36742e-09,'m^3/(mol*s)'), n=4.2036, w0=(435,'kJ/mol'), E0=(40.3456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15767369355237787, var=1.1560721008957407e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 0.3961718754886521"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.3961718754886521""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_Sp-5C=4C_Ext-1O-R_N-6R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 0.3961718754886521 +""", +) + +entry( + index = 5246, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C", + kinetics = ArrheniusBM(A=(67.747,'m^3/(mol*s)'), n=1.19929, w0=(435,'kJ/mol'), E0=(54.499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6569646055988282, var=0.9738185919765635, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C + Total Standard Deviation in ln(k): 3.6289824637111106"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C +Total Standard Deviation in ln(k): 3.6289824637111106""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C +Total Standard Deviation in ln(k): 3.6289824637111106 +""", +) + +entry( + index = 5247, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C", + kinetics = ArrheniusBM(A=(8926.76,'m^3/(mol*s)'), n=0.502299, w0=(435,'kJ/mol'), E0=(51.964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.358157811543248, var=1.2985107882881746, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C + Total Standard Deviation in ln(k): 3.184334075397859"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C +Total Standard Deviation in ln(k): 3.184334075397859""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C +Total Standard Deviation in ln(k): 3.184334075397859 +""", +) + +entry( + index = 5248, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(27503.2,'m^3/(mol*s)'), n=0.409033, w0=(435,'kJ/mol'), E0=(54.4122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3971243263957179, var=1.5871068957375432, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R + Total Standard Deviation in ln(k): 3.5233737029846353"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R +Total Standard Deviation in ln(k): 3.5233737029846353""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R +Total Standard Deviation in ln(k): 3.5233737029846353 +""", +) + +entry( + index = 5249, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O", + kinetics = ArrheniusBM(A=(489186,'m^3/(mol*s)'), n=0.0817668, w0=(435,'kJ/mol'), E0=(60.3316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4503940856826612, var=2.1402634905550393, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O + Total Standard Deviation in ln(k): 4.064498559402409"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 4.064498559402409""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 4.064498559402409 +""", +) + +entry( + index = 5250, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.93145e+06,'m^3/(mol*s)'), n=-0.0820746, w0=(435,'kJ/mol'), E0=(60.7143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8284295347916975, var=5.45731721210196, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R + Total Standard Deviation in ln(k): 6.764723120799026"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 6.764723120799026""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 6.764723120799026 +""", +) + +entry( + index = 5251, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.114874,'m^3/(mol*s)'), n=2.07435, w0=(435,'kJ/mol'), E0=(17.9249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5252, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(3.055e-07,'m^3/(mol*s)'), n=3.53, w0=(435,'kJ/mol'), E0=(29.3303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-1O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-1O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-5C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5253, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(2.1e-07,'m^3/(mol*s)'), n=3.53, w0=(435,'kJ/mol'), E0=(30.7372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0885687571661242, var=1.6779409159970963e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-1O-R + Total Standard Deviation in ln(k): 0.2225345657440332"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-1O-R +Total Standard Deviation in ln(k): 0.2225345657440332""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_6R!H->O_Ext-1O-R +Total Standard Deviation in ln(k): 0.2225345657440332 +""", +) + +entry( + index = 5254, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.00307919,'m^3/(mol*s)'), n=2.311, w0=(435,'kJ/mol'), E0=(25.6048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007625691942897277, var=1.678078091281717, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O + Total Standard Deviation in ln(k): 2.6161069504867167"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.6161069504867167""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.6161069504867167 +""", +) + +entry( + index = 5255, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00258059,'m^3/(mol*s)'), n=2.34185, w0=(435,'kJ/mol'), E0=(26.2543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3342377591017895, var=4.558186119279832, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R + Total Standard Deviation in ln(k): 5.1198845005492535"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 5.1198845005492535""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 5.1198845005492535 +""", +) + +entry( + index = 5256, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(3.055e-07,'m^3/(mol*s)'), n=3.53, w0=(435,'kJ/mol'), E0=(29.1238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R_Ext-1O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R_Ext-1O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-4C-R_N-6R!H->O_Ext-5C-R_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5257, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R", + kinetics = ArrheniusBM(A=(7.59661e-05,'m^3/(mol*s)'), n=2.68582, w0=(435,'kJ/mol'), E0=(27.334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09299616677398435, var=0.2670184822541604, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R + Total Standard Deviation in ln(k): 1.2695821287685702"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R +Total Standard Deviation in ln(k): 1.2695821287685702""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R +Total Standard Deviation in ln(k): 1.2695821287685702 +""", +) + +entry( + index = 5258, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.75e-06,'m^3/(mol*s)'), n=2.94, w0=(435,'kJ/mol'), E0=(20.8124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05079936178129225, var=1.4216819051210656e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.1276365873901839"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.1276365873901839""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_Sp-5C-4C_Ext-1O-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.1276365873901839 +""", +) + +entry( + index = 5259, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C", + kinetics = ArrheniusBM(A=(27.7428,'m^3/(mol*s)'), n=1.31681, w0=(435,'kJ/mol'), E0=(54.0595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2781708206997928, var=3.1570709633447342, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C + Total Standard Deviation in ln(k): 6.773527502963926"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C +Total Standard Deviation in ln(k): 6.773527502963926""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C +Total Standard Deviation in ln(k): 6.773527502963926 +""", +) + +entry( + index = 5260, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R", + kinetics = ArrheniusBM(A=(2.02376,'m^3/(mol*s)'), n=1.63965, w0=(435,'kJ/mol'), E0=(51.2012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.273569621055806, var=0.4018863785496081, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R + Total Standard Deviation in ln(k): 1.9582528182254653"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R +Total Standard Deviation in ln(k): 1.9582528182254653""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R +Total Standard Deviation in ln(k): 1.9582528182254653 +""", +) + +entry( + index = 5261, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_6R!H->C", + kinetics = ArrheniusBM(A=(6.5e-09,'m^3/(mol*s)'), n=4.245, w0=(435,'kJ/mol'), E0=(40.9884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5262, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.14707,'m^3/(mol*s)'), n=1.63173, w0=(435,'kJ/mol'), E0=(51.2301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_5R!H->C_N-Sp-5C=4C_N-Sp-5C-4C_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5263, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.45251e+10,'m^3/(mol*s)'), n=-0.972053, w0=(435,'kJ/mol'), E0=(66.8755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.323152398860516, var=32.764282190562334, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C + Total Standard Deviation in ln(k): 19.824751321587033"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 19.824751321587033""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 19.824751321587033 +""", +) + +entry( + index = 5264, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(196.786,'m^3/(mol*s)'), n=0.939516, w0=(435,'kJ/mol'), E0=(52.1338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2987762362546145, var=10.400475664043105, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 7.2159182700170525"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 7.2159182700170525""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 7.2159182700170525 +""", +) + +entry( + index = 5265, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.7474e-07,'m^3/(mol*s)'), n=3.72209, w0=(435,'kJ/mol'), E0=(12.4759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.035819383777736205, var=17.69831669707078, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 8.523792093873814"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 8.523792093873814""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 8.523792093873814 +""", +) + +entry( + index = 5266, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(6.21293e-09,'m^3/(mol*s)'), n=4.06096, w0=(435,'kJ/mol'), E0=(10.7609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016438716704516396, var=34.898729596874176, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.884305190969096"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.884305190969096""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.884305190969096 +""", +) + +entry( + index = 5267, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R", + kinetics = ArrheniusBM(A=(30182.8,'m^3/(mol*s)'), n=0.186248, w0=(435,'kJ/mol'), E0=(64.9901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1143171294215253, var=32.94755169380833, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R + Total Standard Deviation in ln(k): 16.819525505138373"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R +Total Standard Deviation in ln(k): 16.819525505138373""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R +Total Standard Deviation in ln(k): 16.819525505138373 +""", +) + +entry( + index = 5268, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_8R!H-u0", + kinetics = ArrheniusBM(A=(1.28336e-09,'m^3/(mol*s)'), n=4.00922, w0=(435,'kJ/mol'), E0=(23.6983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_8R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_8R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5269, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_N-8R!H-u0", + kinetics = ArrheniusBM(A=(300000,'m^3/(mol*s)'), n=5.15074e-09, w0=(435,'kJ/mol'), E0=(54.1137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_N-8R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_N-8R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_N-8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_5BrClFINOPSSi->F_Ext-1O-R_N-8R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5270, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_N-5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(0.000181499,'m^3/(mol*s)'), n=3.01667, w0=(435,'kJ/mol'), E0=(-28.1376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_N-5BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_N-5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_Ext-4C-R_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5271, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(9.32122e-05,'m^3/(mol*s)'), n=3.03097, w0=(435,'kJ/mol'), E0=(15.4434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_5BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5272, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(483.562,'m^3/(mol*s)'), n=0.695016, w0=(435,'kJ/mol'), E0=(55.1944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37727449002838354, var=10.769801031384208, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 7.5269401392036475"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 7.5269401392036475""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 7.5269401392036475 +""", +) + +entry( + index = 5273, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F", + kinetics = ArrheniusBM(A=(0.00139639,'m^3/(mol*s)'), n=2.45042, w0=(435,'kJ/mol'), E0=(39.8848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11266830262822712, var=53.85630686756409, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F + Total Standard Deviation in ln(k): 14.995206704448124"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F +Total Standard Deviation in ln(k): 14.995206704448124""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F +Total Standard Deviation in ln(k): 14.995206704448124 +""", +) + +entry( + index = 5274, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R", + kinetics = ArrheniusBM(A=(562975,'m^3/(mol*s)'), n=-0.266283, w0=(435,'kJ/mol'), E0=(72.2322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.1715971123871514, var=54.053373714560216, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R + Total Standard Deviation in ln(k): 22.707849633491694"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R +Total Standard Deviation in ln(k): 22.707849633491694""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R +Total Standard Deviation in ln(k): 22.707849633491694 +""", +) + +entry( + index = 5275, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_7R!H-u0", + kinetics = ArrheniusBM(A=(8.008e-11,'m^3/(mol*s)'), n=4.25875, w0=(435,'kJ/mol'), E0=(26.3805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5276, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_N-7R!H-u0", + kinetics = ArrheniusBM(A=(300000,'m^3/(mol*s)'), n=4.44559e-09, w0=(435,'kJ/mol'), E0=(53.3711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_N-7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_N-7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_5ClF->F_Ext-1O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5277, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F", + kinetics = ArrheniusBM(A=(1.3777e-08,'m^3/(mol*s)'), n=3.62408, w0=(435,'kJ/mol'), E0=(7.54271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040199734615538094, var=11.037007981690442, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F + Total Standard Deviation in ln(k): 6.761133766609686"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F +Total Standard Deviation in ln(k): 6.761133766609686""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F +Total Standard Deviation in ln(k): 6.761133766609686 +""", +) + +entry( + index = 5278, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R", + kinetics = ArrheniusBM(A=(6.40494e-10,'m^3/(mol*s)'), n=3.91693, w0=(435,'kJ/mol'), E0=(1.33118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12314224935969578, var=4.678907711047006, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R + Total Standard Deviation in ln(k): 4.645801570064659"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R +Total Standard Deviation in ln(k): 4.645801570064659""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R +Total Standard Deviation in ln(k): 4.645801570064659 +""", +) + +entry( + index = 5279, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0", + kinetics = ArrheniusBM(A=(7.83184e-11,'m^3/(mol*s)'), n=4.17987, w0=(435,'kJ/mol'), E0=(1.39878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05205134836965041, var=0.8702241698905617, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0 + Total Standard Deviation in ln(k): 2.000915567960244"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0 +Total Standard Deviation in ln(k): 2.000915567960244""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0 +Total Standard Deviation in ln(k): 2.000915567960244 +""", +) + +entry( + index = 5280, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.65038e-11,'m^3/(mol*s)'), n=4.19858, w0=(435,'kJ/mol'), E0=(13.7185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04737248480979399, var=0.2764691955847237, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.1731228256630717"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1731228256630717""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1731228256630717 +""", +) + +entry( + index = 5281, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.33454e-10,'m^3/(mol*s)'), n=3.94363, w0=(435,'kJ/mol'), E0=(16.759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5282, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_7R!H->C", + kinetics = ArrheniusBM(A=(0.00199436,'m^3/(mol*s)'), n=1.87608, w0=(435,'kJ/mol'), E0=(-7.0977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5283, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.9262e-11,'m^3/(mol*s)'), n=4.16726, w0=(435,'kJ/mol'), E0=(20.8278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5284, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_N-7R!H-u0", + kinetics = ArrheniusBM(A=(1.8159e+25,'m^3/(mol*s)'), n=-6.00911, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_N-7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_N-7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_Ext-4C-R_N-5BrClFINOPSSi->O_N-5ClF->F_Ext-1O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5285, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(0.00278888,'m^3/(mol*s)'), n=2.28336, w0=(435,'kJ/mol'), E0=(-4.35939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5286, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(1.15932e+10,'m^3/(mol*s)'), n=-0.822083, w0=(435,'kJ/mol'), E0=(65.3665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.3446271445714597, var=30.2510893453447, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N + Total Standard Deviation in ln(k): 19.429827245972234"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 19.429827245972234""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N +Total Standard Deviation in ln(k): 19.429827245972234 +""", +) + +entry( + index = 5287, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F", + kinetics = ArrheniusBM(A=(6511.21,'m^3/(mol*s)'), n=0.364258, w0=(435,'kJ/mol'), E0=(55.7661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35460216621378615, var=26.47472423025101, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F + Total Standard Deviation in ln(k): 11.20604286207205"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F +Total Standard Deviation in ln(k): 11.20604286207205""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F +Total Standard Deviation in ln(k): 11.20604286207205 +""", +) + +entry( + index = 5288, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R", + kinetics = ArrheniusBM(A=(1.39882e+07,'m^3/(mol*s)'), n=-0.751574, w0=(435,'kJ/mol'), E0=(70.5004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.3023649176521177, var=62.48327193293583, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R + Total Standard Deviation in ln(k): 24.144100561835824"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R +Total Standard Deviation in ln(k): 24.144100561835824""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R +Total Standard Deviation in ln(k): 24.144100561835824 +""", +) + +entry( + index = 5289, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(1.12189e-10,'m^3/(mol*s)'), n=4.12429, w0=(435,'kJ/mol'), E0=(19.2718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5290, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(300000,'m^3/(mol*s)'), n=-5.22635e-09, w0=(435,'kJ/mol'), E0=(51.9097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_5ClFO->F_Ext-1O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5291, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F", + kinetics = ArrheniusBM(A=(8.56348e+09,'m^3/(mol*s)'), n=-0.781363, w0=(435,'kJ/mol'), E0=(64.9557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.1571179202868267, var=27.006967728164135, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F + Total Standard Deviation in ln(k): 18.350710143366115"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F +Total Standard Deviation in ln(k): 18.350710143366115""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F +Total Standard Deviation in ln(k): 18.350710143366115 +""", +) + +entry( + index = 5292, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C", + kinetics = ArrheniusBM(A=(89424.7,'m^3/(mol*s)'), n=0.169586, w0=(435,'kJ/mol'), E0=(51.9596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2965734759801554, var=4.007771837985645, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C + Total Standard Deviation in ln(k): 4.75852287105319"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C +Total Standard Deviation in ln(k): 4.75852287105319""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C +Total Standard Deviation in ln(k): 4.75852287105319 +""", +) + +entry( + index = 5293, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O", + kinetics = ArrheniusBM(A=(0.596978,'m^3/(mol*s)'), n=1.65526, w0=(435,'kJ/mol'), E0=(26.5634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9506538016553261, var=9.598050192188078, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O + Total Standard Deviation in ln(k): 8.599391026053622"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O +Total Standard Deviation in ln(k): 8.599391026053622""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O +Total Standard Deviation in ln(k): 8.599391026053622 +""", +) + +entry( + index = 5294, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(0.00707539,'m^3/(mol*s)'), n=2.12563, w0=(435,'kJ/mol'), E0=(18.904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O_Ext-1O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O_Ext-1O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_5ClO->O_Ext-1O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5295, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O", + kinetics = ArrheniusBM(A=(15247.8,'m^3/(mol*s)'), n=0.386862, w0=(435,'kJ/mol'), E0=(58.332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.48021783128630674, var=4.010331844925559, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O + Total Standard Deviation in ln(k): 5.221222433885185"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O +Total Standard Deviation in ln(k): 5.221222433885185""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O +Total Standard Deviation in ln(k): 5.221222433885185 +""", +) + +entry( + index = 5296, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(1237.12,'m^3/(mol*s)'), n=0.668793, w0=(435,'kJ/mol'), E0=(58.2892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7761335805551869, var=3.0321860545368025, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R + Total Standard Deviation in ln(k): 5.440964311784028"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R +Total Standard Deviation in ln(k): 5.440964311784028""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R +Total Standard Deviation in ln(k): 5.440964311784028 +""", +) + +entry( + index = 5297, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(3.4245e-05,'m^3/(mol*s)'), n=2.83771, w0=(435,'kJ/mol'), E0=(38.9136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2641865640409073, var=1.693761699929196, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0 + Total Standard Deviation in ln(k): 3.2728397912624065"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.2728397912624065""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.2728397912624065 +""", +) + +entry( + index = 5298, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_6R!H->C", + kinetics = ArrheniusBM(A=(4.71141e-12,'m^3/(mol*s)'), n=4.76935, w0=(435,'kJ/mol'), E0=(23.711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5299, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.52673e-07,'m^3/(mol*s)'), n=3.38743, w0=(435,'kJ/mol'), E0=(32.3656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19807278421247987, var=2.574399811600486, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C + Total Standard Deviation in ln(k): 3.714254975413502"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 3.714254975413502""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 3.714254975413502 +""", +) + +entry( + index = 5300, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R", + kinetics = ArrheniusBM(A=(2.95897e-10,'m^3/(mol*s)'), n=4.37398, w0=(435,'kJ/mol'), E0=(15.7021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.057450631785032756, var=0.7960651940649787, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R + Total Standard Deviation in ln(k): 1.933022787264282"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R +Total Standard Deviation in ln(k): 1.933022787264282""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R +Total Standard Deviation in ln(k): 1.933022787264282 +""", +) + +entry( + index = 5301, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.82668e-10,'m^3/(mol*s)'), n=4.26323, w0=(435,'kJ/mol'), E0=(24.5508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5302, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(2.66797e+19,'m^3/(mol*s)'), n=-4.18223, w0=(435,'kJ/mol'), E0=(2.5134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_Sp-5ClO-4C_N-5ClO->O_Ext-1O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5303, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C", + kinetics = ArrheniusBM(A=(1.07894e+09,'m^3/(mol*s)'), n=-0.511611, w0=(435,'kJ/mol'), E0=(62.3816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.141244786083377, var=25.740639392363956, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C + Total Standard Deviation in ln(k): 18.063645106493297"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C +Total Standard Deviation in ln(k): 18.063645106493297""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C +Total Standard Deviation in ln(k): 18.063645106493297 +""", +) + +entry( + index = 5304, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R", + kinetics = ArrheniusBM(A=(3.9133,'m^3/(mol*s)'), n=1.59332, w0=(435,'kJ/mol'), E0=(55.6805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5145460641795183, var=0.2976889573354632, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R + Total Standard Deviation in ln(k): 2.3866303971380853"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R +Total Standard Deviation in ln(k): 2.3866303971380853""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R +Total Standard Deviation in ln(k): 2.3866303971380853 +""", +) + +entry( + index = 5305, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(7.46261e-13,'m^3/(mol*s)'), n=5.25857, w0=(435,'kJ/mol'), E0=(2.14325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09868216896235156, var=1.7393554810247217e-33, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.247945148146612"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.247945148146612""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.247945148146612 +""", +) + +entry( + index = 5306, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.46261e-13,'m^3/(mol*s)'), n=5.25857, w0=(435,'kJ/mol'), E0=(2.24158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->N_N-5ClFO->F_N-Sp-5ClO-4C_Ext-1O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5307, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R", + kinetics = ArrheniusBM(A=(0.00329849,'m^3/(mol*s)'), n=2.22416, w0=(435,'kJ/mol'), E0=(35.7946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.351561421438293, var=3.5852502747710933, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R + Total Standard Deviation in ln(k): 4.679237333909752"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R +Total Standard Deviation in ln(k): 4.679237333909752""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R +Total Standard Deviation in ln(k): 4.679237333909752 +""", +) + +entry( + index = 5308, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C", + kinetics = ArrheniusBM(A=(3.99005e-11,'m^3/(mol*s)'), n=4.64742, w0=(435,'kJ/mol'), E0=(18.6651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3914846939887633, var=2.3110732266408753, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C + Total Standard Deviation in ln(k): 4.031271130571929"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 4.031271130571929""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 4.031271130571929 +""", +) + +entry( + index = 5309, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.3492e-11,'m^3/(mol*s)'), n=4.72768, w0=(435,'kJ/mol'), E0=(18.4792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.386179667495153, var=2.179621940420167, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.929999870531192"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.929999870531192""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.929999870531192 +""", +) + +entry( + index = 5310, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.39359,'m^3/(mol*s)'), n=1.39469, w0=(435,'kJ/mol'), E0=(44.6384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24863780258745466, var=1.2106588642504768, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C + Total Standard Deviation in ln(k): 2.8305269859584894"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.8305269859584894""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.8305269859584894 +""", +) + +entry( + index = 5311, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(1.03531e-09,'m^3/(mol*s)'), n=4.10168, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.198959929491321, var=62.54545910174836, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R + Total Standard Deviation in ln(k): 28.917298503326382"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R +Total Standard Deviation in ln(k): 28.917298503326382""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R +Total Standard Deviation in ln(k): 28.917298503326382 +""", +) + +entry( + index = 5312, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0101623,'m^3/(mol*s)'), n=2.5848, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3965731890362795, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.996415047829848"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.996415047829848""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.996415047829848 +""", +) + +entry( + index = 5313, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0101623,'m^3/(mol*s)'), n=2.5848, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5314, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(2.91848e-06,'m^3/(mol*s)'), n=3.0106, w0=(435,'kJ/mol'), E0=(29.9242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5612604679378321, var=5.453528972024049, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 8.60438113547508"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 8.60438113547508""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 8.60438113547508 +""", +) + +entry( + index = 5315, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(159.873,'m^3/(mol*s)'), n=0.721913, w0=(435,'kJ/mol'), E0=(47.169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.117083804731788, var=2.4622358307542815, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 5.95247589899971"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 5.95247589899971""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClNS->C_N-4C-inRing_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 5.95247589899971 +""", +) + +entry( + index = 5316, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C", + kinetics = ArrheniusBM(A=(1.29698e+11,'m^3/(mol*s)'), n=-1.2013, w0=(435,'kJ/mol'), E0=(69.3155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14609898963791015, var=5.608851471687097, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C + Total Standard Deviation in ln(k): 5.114899757985338"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C +Total Standard Deviation in ln(k): 5.114899757985338""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C +Total Standard Deviation in ln(k): 5.114899757985338 +""", +) + +entry( + index = 5317, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(89769.2,'m^3/(mol*s)'), n=0.283239, w0=(435,'kJ/mol'), E0=(61.6084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.42590831829376297, var=5.905002870638871, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R + Total Standard Deviation in ln(k): 5.941670074453754"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.941670074453754""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.941670074453754 +""", +) + +entry( + index = 5318, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(22126.4,'m^3/(mol*s)'), n=0.538884, w0=(435,'kJ/mol'), E0=(59.5838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4277784033884782, var=7.4776466254926675, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 6.556825499378625"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.556825499378625""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.556825499378625 +""", +) + +entry( + index = 5319, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(30.1317,'m^3/(mol*s)'), n=1.25406, w0=(435,'kJ/mol'), E0=(52.1052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5947990740277235, var=6.972526685241865, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R + Total Standard Deviation in ln(k): 6.788081740465713"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R +Total Standard Deviation in ln(k): 6.788081740465713""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R +Total Standard Deviation in ln(k): 6.788081740465713 +""", +) + +entry( + index = 5320, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.51634e-06,'m^3/(mol*s)'), n=2.91815, w0=(435,'kJ/mol'), E0=(4.32325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5321, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.417315,'m^3/(mol*s)'), n=1.89331, w0=(435,'kJ/mol'), E0=(49.9238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7126335720526462, var=6.2962360458105255, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C + Total Standard Deviation in ln(k): 6.820878352161289"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.820878352161289""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C +Total Standard Deviation in ln(k): 6.820878352161289 +""", +) + +entry( + index = 5322, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(1.06461e-13,'m^3/(mol*s)'), n=5.44735, w0=(435,'kJ/mol'), E0=(14.4669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10620697675844284, var=0.14373439840905292, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 1.0268932718280923"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 1.0268932718280923""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 1.0268932718280923 +""", +) + +entry( + index = 5323, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(1.48966e-11,'m^3/(mol*s)'), n=4.77216, w0=(435,'kJ/mol'), E0=(18.3969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10675697073612961, var=0.11189250765637411, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R + Total Standard Deviation in ln(k): 0.9388242434943561"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R +Total Standard Deviation in ln(k): 0.9388242434943561""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R +Total Standard Deviation in ln(k): 0.9388242434943561 +""", +) + +entry( + index = 5324, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.64574e-11,'m^3/(mol*s)'), n=4.75283, w0=(435,'kJ/mol'), E0=(16.9828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_7BrClFINOPSSi-u0_Ext-7BrClFINOPSSi-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5325, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(0.000149289,'m^3/(mol*s)'), n=3.04308, w0=(435,'kJ/mol'), E0=(42.0009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-3C-R_Ext-1O-R_N-7R!H->C_N-7BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5326, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R", + kinetics = ArrheniusBM(A=(37399.8,'m^3/(mol*s)'), n=0.222069, w0=(435,'kJ/mol'), E0=(62.6738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5229022303764655, var=8.822813192432022, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R + Total Standard Deviation in ln(k): 7.268533541930329"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R +Total Standard Deviation in ln(k): 7.268533541930329""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R +Total Standard Deviation in ln(k): 7.268533541930329 +""", +) + +entry( + index = 5327, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_6R!H->C", + kinetics = ArrheniusBM(A=(4.08075e-09,'m^3/(mol*s)'), n=3.49407, w0=(435,'kJ/mol'), E0=(14.0865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5328, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(210.286,'m^3/(mol*s)'), n=0.9772, w0=(435,'kJ/mol'), E0=(59.3169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6488415058416646, var=7.387811849614122, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C + Total Standard Deviation in ln(k): 7.079231134795707"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 7.079231134795707""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C +Total Standard Deviation in ln(k): 7.079231134795707 +""", +) + +entry( + index = 5329, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(3.23684e-12,'m^3/(mol*s)'), n=4.86556, w0=(435,'kJ/mol'), E0=(19.3162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09377561111547314, var=0.08838935816755147, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 0.8316318247940717"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 0.8316318247940717""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 0.8316318247940717 +""", +) + +entry( + index = 5330, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(5.56588e-11,'m^3/(mol*s)'), n=4.46137, w0=(435,'kJ/mol'), E0=(20.5739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12394737040441091, var=0.10633073913700382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R + Total Standard Deviation in ln(k): 0.9651374763435289"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R +Total Standard Deviation in ln(k): 0.9651374763435289""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R +Total Standard Deviation in ln(k): 0.9651374763435289 +""", +) + +entry( + index = 5331, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.96963e-11,'m^3/(mol*s)'), n=4.46907, w0=(435,'kJ/mol'), E0=(18.7151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_6BrClFINOPSSi-u0_Ext-6BrClFINOPSSi-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5332, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(0.00199769,'m^3/(mol*s)'), n=2.62365, w0=(435,'kJ/mol'), E0=(43.4102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_Ext-3C-R_Ext-1O-R_N-6R!H->C_N-6BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5333, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br", + kinetics = ArrheniusBM(A=(249.36,'m^3/(mol*s)'), n=0.974333, w0=(435,'kJ/mol'), E0=(44.3292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34497874341903145, var=3.0542081509323538, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br + Total Standard Deviation in ln(k): 4.370314511289406"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br +Total Standard Deviation in ln(k): 4.370314511289406""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br +Total Standard Deviation in ln(k): 4.370314511289406 +""", +) + +entry( + index = 5334, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R", + kinetics = ArrheniusBM(A=(179.325,'m^3/(mol*s)'), n=0.966026, w0=(435,'kJ/mol'), E0=(42.5925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3698129765877695, var=9.62591762206434, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R + Total Standard Deviation in ln(k): 7.149001816986672"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R +Total Standard Deviation in ln(k): 7.149001816986672""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R +Total Standard Deviation in ln(k): 7.149001816986672 +""", +) + +entry( + index = 5335, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(1.19393e-09,'m^3/(mol*s)'), n=4.16039, w0=(435,'kJ/mol'), E0=(7.80875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10244908144034325, var=0.2919276120353278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0 + Total Standard Deviation in ln(k): 1.3405746487583712"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0 +Total Standard Deviation in ln(k): 1.3405746487583712""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0 +Total Standard Deviation in ln(k): 1.3405746487583712 +""", +) + +entry( + index = 5336, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_5R!H->Br", + kinetics = ArrheniusBM(A=(1.54786e-09,'m^3/(mol*s)'), n=4.1645, w0=(435,'kJ/mol'), E0=(10.201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5337, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_N-5R!H->Br", + kinetics = ArrheniusBM(A=(7.9786e-09,'m^3/(mol*s)'), n=3.88762, w0=(435,'kJ/mol'), E0=(13.2217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_N-5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_N-5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_N-5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_5R!H-u0_N-5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5338, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(2e+06,'m^3/(mol*s)'), n=-9.53222e-09, w0=(435,'kJ/mol'), E0=(50.0991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_4BrClN->Br_Ext-1O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5339, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br", + kinetics = ArrheniusBM(A=(2.25951e+09,'m^3/(mol*s)'), n=-0.665088, w0=(435,'kJ/mol'), E0=(63.0863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22284577179294932, var=4.201898492091444, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br + Total Standard Deviation in ln(k): 4.669326784441205"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br +Total Standard Deviation in ln(k): 4.669326784441205""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br +Total Standard Deviation in ln(k): 4.669326784441205 +""", +) + +entry( + index = 5340, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N", + kinetics = ArrheniusBM(A=(3.86041e+06,'m^3/(mol*s)'), n=0.155113, w0=(435,'kJ/mol'), E0=(53.1853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4199819591042835, var=3.2874824358136565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N + Total Standard Deviation in ln(k): 4.690099604544826"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N +Total Standard Deviation in ln(k): 4.690099604544826""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N +Total Standard Deviation in ln(k): 4.690099604544826 +""", +) + +entry( + index = 5341, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(2730.96,'m^3/(mol*s)'), n=1.0852, w0=(435,'kJ/mol'), E0=(24.2214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_4ClN->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5342, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N", + kinetics = ArrheniusBM(A=(50.7889,'m^3/(mol*s)'), n=1.02685, w0=(435,'kJ/mol'), E0=(54.1208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32240972653460687, var=4.0046290857694204, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N + Total Standard Deviation in ln(k): 4.821864196392391"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N +Total Standard Deviation in ln(k): 4.821864196392391""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N +Total Standard Deviation in ln(k): 4.821864196392391 +""", +) + +entry( + index = 5343, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R", + kinetics = ArrheniusBM(A=(38.5471,'m^3/(mol*s)'), n=1.0312, w0=(435,'kJ/mol'), E0=(55.0937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25874403025437137, var=7.675087044915732, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R + Total Standard Deviation in ln(k): 6.204018152958118"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R +Total Standard Deviation in ln(k): 6.204018152958118""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R +Total Standard Deviation in ln(k): 6.204018152958118 +""", +) + +entry( + index = 5344, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_5R!H->C", + kinetics = ArrheniusBM(A=(4.46354e-13,'m^3/(mol*s)'), n=4.76098, w0=(435,'kJ/mol'), E0=(21.3101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5345, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.59545,'m^3/(mol*s)'), n=1.41956, w0=(435,'kJ/mol'), E0=(51.1521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4407951815201095, var=7.653110130311446, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C + Total Standard Deviation in ln(k): 6.653475850724711"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 6.653475850724711""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C +Total Standard Deviation in ln(k): 6.653475850724711 +""", +) + +entry( + index = 5346, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(5.43908e-13,'m^3/(mol*s)'), n=5.01888, w0=(435,'kJ/mol'), E0=(0.635904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40057146378170483, var=1.4762884229733275, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 3.4422664063110466"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 3.4422664063110466""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 3.4422664063110466 +""", +) + +entry( + index = 5347, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(1.35815e-09,'m^3/(mol*s)'), n=3.99716, w0=(435,'kJ/mol'), E0=(26.387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15295370275276085, var=0.660418185429968, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 2.013476149465489"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 2.013476149465489""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 2.013476149465489 +""", +) + +entry( + index = 5348, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R", + kinetics = ArrheniusBM(A=(5.51822e-09,'m^3/(mol*s)'), n=3.78728, w0=(435,'kJ/mol'), E0=(25.1739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09693644701087131, var=1.7018931354399784, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R + Total Standard Deviation in ln(k): 2.8588686609865337"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R +Total Standard Deviation in ln(k): 2.8588686609865337""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R +Total Standard Deviation in ln(k): 2.8588686609865337 +""", +) + +entry( + index = 5349, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.82176e-09,'m^3/(mol*s)'), n=3.91945, w0=(435,'kJ/mol'), E0=(13.5494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_5BrClFINOPSSi->O_Ext-5O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5350, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_N-5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(1.06895e-10,'m^3/(mol*s)'), n=4.50669, w0=(435,'kJ/mol'), E0=(16.4743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_N-5BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_N-5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_5BrClFINOPSSi-u0_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5351, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0", + kinetics = ArrheniusBM(A=(0.0308899,'m^3/(mol*s)'), n=2.10415, w0=(435,'kJ/mol'), E0=(44.5578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClNS->C_N-4BrClN->Br_N-4ClN->N_Ext-1O-R_N-5R!H->C_N-5BrClFINOPSSi-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5352, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_Ext-4BrCClNS-R_Ext-4BrCClNS-R_Ext-4BrCClNS-R", + kinetics = ArrheniusBM(A=(4.46102e-11,'m^3/(mol*s)'), n=4.12267, w0=(435,'kJ/mol'), E0=(26.6004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_Ext-4BrCClNS-R_Ext-4BrCClNS-R_Ext-4BrCClNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_Ext-4BrCClNS-R_Ext-4BrCClNS-R_Ext-4BrCClNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_Ext-4BrCClNS-R_Ext-4BrCClNS-R_Ext-4BrCClNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_1CO-u0_N-1CO->C_N-4BrCClNOS->O_Ext-4BrCClNS-R_Ext-4BrCClNS-R_Ext-4BrCClNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5353, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0", + kinetics = ArrheniusBM(A=(1.08876,'m^3/(mol*s)'), n=1.5069, w0=(433.588,'kJ/mol'), E0=(19.305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2896018148531933, var=3.277529286634115, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0 + Total Standard Deviation in ln(k): 4.357004685335088"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0 +Total Standard Deviation in ln(k): 4.357004685335088""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0 +Total Standard Deviation in ln(k): 4.357004685335088 +""", +) + +entry( + index = 5354, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C", + kinetics = ArrheniusBM(A=(2.84234,'m^3/(mol*s)'), n=1.44781, w0=(411,'kJ/mol'), E0=(54.6678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2598563879149276, var=39.71365136936785, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C + Total Standard Deviation in ln(k): 13.286498998211115"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C +Total Standard Deviation in ln(k): 13.286498998211115""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C +Total Standard Deviation in ln(k): 13.286498998211115 +""", +) + +entry( + index = 5355, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(497.585,'m^3/(mol*s)'), n=0.794948, w0=(411,'kJ/mol'), E0=(41.7471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_1CO->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5356, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C", + kinetics = ArrheniusBM(A=(1.19609,'m^3/(mol*s)'), n=1.4952, w0=(435,'kJ/mol'), E0=(19.4122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2941702701758897, var=3.2929828356132096, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C + Total Standard Deviation in ln(k): 4.377029374231072"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C +Total Standard Deviation in ln(k): 4.377029374231072""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C +Total Standard Deviation in ln(k): 4.377029374231072 +""", +) + +entry( + index = 5357, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O", + kinetics = ArrheniusBM(A=(1.01855e+08,'m^3/(mol*s)'), n=-0.887337, w0=(435,'kJ/mol'), E0=(30.6994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31505854867532307, var=3.819924953318401, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O + Total Standard Deviation in ln(k): 4.709784586147137"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O +Total Standard Deviation in ln(k): 4.709784586147137""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O +Total Standard Deviation in ln(k): 4.709784586147137 +""", +) + +entry( + index = 5358, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.362803,'m^3/(mol*s)'), n=1.74563, w0=(435,'kJ/mol'), E0=(18.4325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.089764326440653, var=20.93814630274261, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R + Total Standard Deviation in ln(k): 16.93653767475492"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 16.93653767475492""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R +Total Standard Deviation in ln(k): 16.93653767475492 +""", +) + +entry( + index = 5359, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0859664,'m^3/(mol*s)'), n=1.92202, w0=(435,'kJ/mol'), E0=(45.0869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5360, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R", + kinetics = ArrheniusBM(A=(6.44447e+10,'m^3/(mol*s)'), n=-1.66438, w0=(435,'kJ/mol'), E0=(33.3009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_4BrCClNOS->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5361, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O", + kinetics = ArrheniusBM(A=(1.5259e-05,'m^3/(mol*s)'), n=3.04187, w0=(435,'kJ/mol'), E0=(18.8179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8353702579511914, var=7.8193671790510075, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O + Total Standard Deviation in ln(k): 7.704787286002564"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O +Total Standard Deviation in ln(k): 7.704787286002564""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O +Total Standard Deviation in ln(k): 7.704787286002564 +""", +) + +entry( + index = 5362, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C", + kinetics = ArrheniusBM(A=(2.16212e-13,'m^3/(mol*s)'), n=5.27926, w0=(435,'kJ/mol'), E0=(1.82813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0927605222470675, var=21.55666964396343, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C + Total Standard Deviation in ln(k): 14.566008976231394"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C +Total Standard Deviation in ln(k): 14.566008976231394""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C +Total Standard Deviation in ln(k): 14.566008976231394 +""", +) + +entry( + index = 5363, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(9.85706e-05,'m^3/(mol*s)'), n=2.86284, w0=(435,'kJ/mol'), E0=(28.1699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20588799843284453, var=6.804773088456543, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R + Total Standard Deviation in ln(k): 5.7468504316154325"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.7468504316154325""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R +Total Standard Deviation in ln(k): 5.7468504316154325 +""", +) + +entry( + index = 5364, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.000389177,'m^3/(mol*s)'), n=2.67802, w0=(435,'kJ/mol'), E0=(63.9754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15482584001165497, var=7.785470899013854, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C + Total Standard Deviation in ln(k): 5.982713017488179"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 5.982713017488179""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C +Total Standard Deviation in ln(k): 5.982713017488179 +""", +) + +entry( + index = 5365, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000256721,'m^3/(mol*s)'), n=2.77025, w0=(435,'kJ/mol'), E0=(54.4352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31404029809338424, var=42.80332340848187, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 13.904874638281687"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 13.904874638281687""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 13.904874638281687 +""", +) + +entry( + index = 5366, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.00287531,'m^3/(mol*s)'), n=2.48078, w0=(435,'kJ/mol'), E0=(37.7761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-3C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5367, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.99725e-05,'m^3/(mol*s)'), n=2.99294, w0=(435,'kJ/mol'), E0=(68.8559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02812964435563202, var=2.604940712950551, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 3.3062855773361823"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.3062855773361823""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.3062855773361823 +""", +) + +entry( + index = 5368, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C", + kinetics = ArrheniusBM(A=(3.072e-05,'m^3/(mol*s)'), n=2.98705, w0=(435,'kJ/mol'), E0=(67.3293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5369, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(7.77941e-06,'m^3/(mol*s)'), n=3.06258, w0=(435,'kJ/mol'), E0=(69.8298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_5R!H->C_Ext-4C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5370, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(7.20195e-09,'m^3/(mol*s)'), n=4.04984, w0=(435,'kJ/mol'), E0=(1.13512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0047398574160002005, var=3.758894606443441, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C + Total Standard Deviation in ln(k): 3.8986632762934454"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.8986632762934454""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.8986632762934454 +""", +) + +entry( + index = 5371, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.2086e-08,'m^3/(mol*s)'), n=3.97742, w0=(435,'kJ/mol'), E0=(18.263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1552457922785105, var=0.09574131650475894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 1.0103718116164044"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.0103718116164044""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.0103718116164044 +""", +) + +entry( + index = 5372, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(8.05448e-07,'m^3/(mol*s)'), n=3.4821, w0=(435,'kJ/mol'), E0=(27.1397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_Ext-3C-R_N-5R!H->C_Ext-4C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5373, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_4C-inRing", + kinetics = ArrheniusBM(A=(5.00435e-07,'m^3/(mol*s)'), n=3.07856, w0=(435,'kJ/mol'), E0=(73.3325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5374, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(0.00895559,'m^3/(mol*s)'), n=2.24383, w0=(435,'kJ/mol'), E0=(29.1835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007637717883206779, var=0.1428431166104019, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing + Total Standard Deviation in ln(k): 0.7768716842550195"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing +Total Standard Deviation in ln(k): 0.7768716842550195""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing +Total Standard Deviation in ln(k): 0.7768716842550195 +""", +) + +entry( + index = 5375, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.00072257,'m^3/(mol*s)'), n=2.51298, w0=(435,'kJ/mol'), E0=(23.6861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06201574391533736, var=0.26067412215914765, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 1.1793611144581229"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.1793611144581229""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.1793611144581229 +""", +) + +entry( + index = 5376, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.148083,'m^3/(mol*s)'), n=1.88112, w0=(435,'kJ/mol'), E0=(32.4998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5377, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(4.19815e-05,'m^3/(mol*s)'), n=2.86474, w0=(435,'kJ/mol'), E0=(20.6135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007067269236398847, var=0.3047618411940837, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.1244757484717967"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.1244757484717967""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.1244757484717967 +""", +) + +entry( + index = 5378, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(1.13789e-05,'m^3/(mol*s)'), n=3.03726, w0=(435,'kJ/mol'), E0=(23.7304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05584131325582212, var=0.8483050686907494, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl + Total Standard Deviation in ln(k): 1.9867355411028116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 1.9867355411028116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 1.9867355411028116 +""", +) + +entry( + index = 5379, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.38457e-06,'m^3/(mol*s)'), n=3.18789, w0=(435,'kJ/mol'), E0=(22.3265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5380, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(5.6872e-05,'m^3/(mol*s)'), n=2.82515, w0=(435,'kJ/mol'), E0=(20.1271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05099953456384057, var=0.2742442222388165, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl + Total Standard Deviation in ln(k): 1.17798586009263"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 1.17798586009263""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 1.17798586009263 +""", +) + +entry( + index = 5381, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_Ext-5FO-R", + kinetics = ArrheniusBM(A=(3.85814e-05,'m^3/(mol*s)'), n=2.78317, w0=(435,'kJ/mol'), E0=(17.2825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_Ext-5FO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_Ext-5FO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_Ext-5FO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_Ext-5FO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5382, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_5FO->O", + kinetics = ArrheniusBM(A=(0.000688138,'m^3/(mol*s)'), n=2.49238, w0=(435,'kJ/mol'), E0=(21.5665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_5FO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_5FO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_5FO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_5FO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5383, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O", + kinetics = ArrheniusBM(A=(1.23735e-07,'m^3/(mol*s)'), n=3.67148, w0=(435,'kJ/mol'), E0=(17.2733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008004279105623455, var=1.43964840937023, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O + Total Standard Deviation in ln(k): 2.407399514485772"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O +Total Standard Deviation in ln(k): 2.407399514485772""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O +Total Standard Deviation in ln(k): 2.407399514485772 +""", +) + +entry( + index = 5384, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.25173e-08,'m^3/(mol*s)'), n=4.0041, w0=(435,'kJ/mol'), E0=(18.9707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0026958899743221025, var=4.167795219119039, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R + Total Standard Deviation in ln(k): 4.09947608076076"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R +Total Standard Deviation in ln(k): 4.09947608076076""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R +Total Standard Deviation in ln(k): 4.09947608076076 +""", +) + +entry( + index = 5385, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.36376e-08,'m^3/(mol*s)'), n=3.94229, w0=(435,'kJ/mol'), E0=(22.0718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_4BrCClN->C_N-4C-inRing_Ext-4C-R_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5FO->O_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5386, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C", + kinetics = ArrheniusBM(A=(0.000321381,'m^3/(mol*s)'), n=2.68641, w0=(435,'kJ/mol'), E0=(-0.516896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4991008723306253, var=6.101020395817995, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C + Total Standard Deviation in ln(k): 6.205766791858144"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C +Total Standard Deviation in ln(k): 6.205766791858144""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C +Total Standard Deviation in ln(k): 6.205766791858144 +""", +) + +entry( + index = 5387, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N", + kinetics = ArrheniusBM(A=(0.000330094,'m^3/(mol*s)'), n=2.68379, w0=(435,'kJ/mol'), E0=(0.97603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49588254710899476, var=6.065476767939669, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N + Total Standard Deviation in ln(k): 6.18323541844495"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N +Total Standard Deviation in ln(k): 6.18323541844495""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N +Total Standard Deviation in ln(k): 6.18323541844495 +""", +) + +entry( + index = 5388, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1", + kinetics = ArrheniusBM(A=(1.20845,'m^3/(mol*s)'), n=1.72925, w0=(435,'kJ/mol'), E0=(37.1101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23444505677679578, var=2.6516967442731207, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1 + Total Standard Deviation in ln(k): 3.8535748005889134"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1 +Total Standard Deviation in ln(k): 3.8535748005889134""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1 +Total Standard Deviation in ln(k): 3.8535748005889134 +""", +) + +entry( + index = 5389, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1_Ext-4N-R", + kinetics = ArrheniusBM(A=(110056,'m^3/(mol*s)'), n=0.32383, w0=(435,'kJ/mol'), E0=(56.5971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_3C-u1_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5390, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_N-3C-u1", + kinetics = ArrheniusBM(A=(454.631,'m^3/(mol*s)'), n=0.791929, w0=(435,'kJ/mol'), E0=(0.0853871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_4BrClN->N_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5391, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N", + kinetics = ArrheniusBM(A=(1.14502e+07,'m^3/(mol*s)'), n=-0.614481, w0=(435,'kJ/mol'), E0=(49.4512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2207711540489468, var=4.795518307689613, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N + Total Standard Deviation in ln(k): 4.944804961726698"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N +Total Standard Deviation in ln(k): 4.944804961726698""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N +Total Standard Deviation in ln(k): 4.944804961726698 +""", +) + +entry( + index = 5392, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R", + kinetics = ArrheniusBM(A=(53301.7,'m^3/(mol*s)'), n=0.280673, w0=(435,'kJ/mol'), E0=(45.4834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05154821711858886, var=4.365560560111789, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R + Total Standard Deviation in ln(k): 4.31819634848347"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R +Total Standard Deviation in ln(k): 4.31819634848347""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R +Total Standard Deviation in ln(k): 4.31819634848347 +""", +) + +entry( + index = 5393, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(2723.94,'m^3/(mol*s)'), n=0.700281, w0=(435,'kJ/mol'), E0=(39.7662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0474555330440267, var=5.279356616895753, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 4.725484836359789"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.725484836359789""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.725484836359789 +""", +) + +entry( + index = 5394, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_4BrCl->Br", + kinetics = ArrheniusBM(A=(0.0922711,'m^3/(mol*s)'), n=1.48893, w0=(435,'kJ/mol'), E0=(24.7074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_4BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_4BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5395, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_N-4BrCl->Br", + kinetics = ArrheniusBM(A=(25.9697,'m^3/(mol*s)'), n=0.77001, w0=(435,'kJ/mol'), E0=(34.8011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.176381450018031, var=0.0021241609989623147, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_N-4BrCl->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_N-4BrCl->Br + Total Standard Deviation in ln(k): 0.5355649478833743"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_N-4BrCl->Br +Total Standard Deviation in ln(k): 0.5355649478833743""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_Ext-3C-R_N-Sp-4R!H#3C_N-Sp-4R!H=3C_N-4R!H->F_N-1BrCClHINOPSSi->Br_N-1CClHINO->Cl_N-1CHINO->H_N-1CINO->I_N-1CNO->N_N-1CO-u0_N-1CO->C_N-4BrCClNOS->O_N-4BrCClN->C_N-4BrClN->N_N-4BrCl->Br +Total Standard Deviation in ln(k): 0.5355649478833743 +""", +) + +entry( + index = 5396, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_1BrCClHINOPSSi->I", + kinetics = ArrheniusBM(A=(532233,'m^3/(mol*s)'), n=0.230024, w0=(353,'kJ/mol'), E0=(34.3351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20875350691190192, var=1.3538172690019636, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_1BrCClHINOPSSi->I',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_1BrCClHINOPSSi->I + Total Standard Deviation in ln(k): 2.8570888049398775"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_1BrCClHINOPSSi->I +Total Standard Deviation in ln(k): 2.8570888049398775""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_1BrCClHINOPSSi->I +Total Standard Deviation in ln(k): 2.8570888049398775 +""", +) + +entry( + index = 5397, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I", + kinetics = ArrheniusBM(A=(0.00209645,'m^3/(mol*s)'), n=2.58552, w0=(412.315,'kJ/mol'), E0=(42.9443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041468578368735805, var=5.179034274724019, Tref=1000.0, N=211, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I',), comment="""BM rule fitted to 211 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I + Total Standard Deviation in ln(k): 4.666466591992725"""), + rank = 11, + shortDesc = """BM rule fitted to 211 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I +Total Standard Deviation in ln(k): 4.666466591992725""", + longDesc = +""" +BM rule fitted to 211 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I +Total Standard Deviation in ln(k): 4.666466591992725 +""", +) + +entry( + index = 5398, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br", + kinetics = ArrheniusBM(A=(7.43961e+06,'m^3/(mol*s)'), n=-0.18502, w0=(386.5,'kJ/mol'), E0=(25.7024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0264955811792994, var=0.1090708975630904, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br + Total Standard Deviation in ln(k): 0.728653281536023"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br +Total Standard Deviation in ln(k): 0.728653281536023""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br +Total Standard Deviation in ln(k): 0.728653281536023 +""", +) + +entry( + index = 5399, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_3C-u1", + kinetics = ArrheniusBM(A=(2.43167e+06,'m^3/(mol*s)'), n=-0.0695911, w0=(386.5,'kJ/mol'), E0=(17.8898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5400, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_N-3C-u1", + kinetics = ArrheniusBM(A=(1.72904e+06,'m^3/(mol*s)'), n=0.0202718, w0=(386.5,'kJ/mol'), E0=(22.3673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_1BrCClHNO->Br_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5401, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br", + kinetics = ArrheniusBM(A=(0.00209368,'m^3/(mol*s)'), n=2.58569, w0=(412.562,'kJ/mol'), E0=(42.9441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041517633857775474, var=5.179008949178293, Tref=1000.0, N=209, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br',), comment="""BM rule fitted to 209 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br + Total Standard Deviation in ln(k): 4.666578692186289"""), + rank = 11, + shortDesc = """BM rule fitted to 209 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br +Total Standard Deviation in ln(k): 4.666578692186289""", + longDesc = +""" +BM rule fitted to 209 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br +Total Standard Deviation in ln(k): 4.666578692186289 +""", +) + +entry( + index = 5402, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl", + kinetics = ArrheniusBM(A=(2.42857,'m^3/(mol*s)'), n=1.84293, w0=(419.5,'kJ/mol'), E0=(7.02071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05472301544390597, var=0.33257023718973844, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl + Total Standard Deviation in ln(k): 1.293603740637072"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl +Total Standard Deviation in ln(k): 1.293603740637072""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl +Total Standard Deviation in ln(k): 1.293603740637072 +""", +) + +entry( + index = 5403, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_3C-u1", + kinetics = ArrheniusBM(A=(0.00467776,'m^3/(mol*s)'), n=2.63464, w0=(419.5,'kJ/mol'), E0=(-2.22503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5404, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_N-3C-u1", + kinetics = ArrheniusBM(A=(1.7e+06,'m^3/(mol*s)'), n=-2.22776e-08, w0=(419.5,'kJ/mol'), E0=(14.927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_1CClHNO->Cl_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5405, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl", + kinetics = ArrheniusBM(A=(0.00213896,'m^3/(mol*s)'), n=2.583, w0=(412.495,'kJ/mol'), E0=(42.9849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041500362764617826, var=5.171487091572939, Tref=1000.0, N=207, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl',), comment="""BM rule fitted to 207 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl + Total Standard Deviation in ln(k): 4.663221037703033"""), + rank = 11, + shortDesc = """BM rule fitted to 207 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl +Total Standard Deviation in ln(k): 4.663221037703033""", + longDesc = +""" +BM rule fitted to 207 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl +Total Standard Deviation in ln(k): 4.663221037703033 +""", +) + +entry( + index = 5406, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(0.0515732,'m^3/(mol*s)'), n=2.22871, w0=(412.219,'kJ/mol'), E0=(56.4299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03988308778814906, var=5.798289235239536, Tref=1000.0, N=192, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R',), comment="""BM rule fitted to 192 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R + Total Standard Deviation in ln(k): 4.927538080547737"""), + rank = 11, + shortDesc = """BM rule fitted to 192 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 4.927538080547737""", + longDesc = +""" +BM rule fitted to 192 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 4.927538080547737 +""", +) + +entry( + index = 5407, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO", + kinetics = ArrheniusBM(A=(8.19711e-11,'m^3/(mol*s)'), n=4.88776, w0=(409.256,'kJ/mol'), E0=(30.9004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21795735446709003, var=10.245231144281192, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO + Total Standard Deviation in ln(k): 6.964422185210679"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO +Total Standard Deviation in ln(k): 6.964422185210679""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO +Total Standard Deviation in ln(k): 6.964422185210679 +""", +) + +entry( + index = 5408, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O", + kinetics = ArrheniusBM(A=(3.19032e-12,'m^3/(mol*s)'), n=5.37449, w0=(408.727,'kJ/mol'), E0=(3.20087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8684041845026489, var=10.080815675862642, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O + Total Standard Deviation in ln(k): 8.547014129579429"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O +Total Standard Deviation in ln(k): 8.547014129579429""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O +Total Standard Deviation in ln(k): 8.547014129579429 +""", +) + +entry( + index = 5409, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N", + kinetics = ArrheniusBM(A=(2.6594,'m^3/(mol*s)'), n=1.72228, w0=(398.5,'kJ/mol'), E0=(72.826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22784301949831645, var=0.06244840742697523, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N + Total Standard Deviation in ln(k): 1.0734467659966014"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N +Total Standard Deviation in ln(k): 1.0734467659966014""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N +Total Standard Deviation in ln(k): 1.0734467659966014 +""", +) + +entry( + index = 5410, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N_Ext-1N-R", + kinetics = ArrheniusBM(A=(0.81,'m^3/(mol*s)'), n=1.87, w0=(398.5,'kJ/mol'), E0=(71.2293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N_Ext-1N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N_Ext-1N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_1CHNO->N_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5411, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N", + kinetics = ArrheniusBM(A=(1.67616e-14,'m^3/(mol*s)'), n=6.29983, w0=(411,'kJ/mol'), E0=(29.056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9225494835037852, var=4.317388121385202, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N + Total Standard Deviation in ln(k): 6.483467331827124"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N +Total Standard Deviation in ln(k): 6.483467331827124""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N +Total Standard Deviation in ln(k): 6.483467331827124 +""", +) + +entry( + index = 5412, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1", + kinetics = ArrheniusBM(A=(1.94959e-14,'m^3/(mol*s)'), n=6.28131, w0=(411,'kJ/mol'), E0=(29.3007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8711614347769487, var=4.123605339942618, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1 + Total Standard Deviation in ln(k): 6.259795648958983"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1 +Total Standard Deviation in ln(k): 6.259795648958983""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1 +Total Standard Deviation in ln(k): 6.259795648958983 +""", +) + +entry( + index = 5413, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.02964e-14,'m^3/(mol*s)'), n=6.2764, w0=(411,'kJ/mol'), E0=(29.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6915984729065964, var=3.302529041821412, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R + Total Standard Deviation in ln(k): 5.380861945965236"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R +Total Standard Deviation in ln(k): 5.380861945965236""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R +Total Standard Deviation in ln(k): 5.380861945965236 +""", +) + +entry( + index = 5414, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(4.37533e-14,'m^3/(mol*s)'), n=6.18071, w0=(411,'kJ/mol'), E0=(30.5894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.8831520941437554, var=17.968325925154762, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 15.741984724100185"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 15.741984724100185""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 15.741984724100185 +""", +) + +entry( + index = 5415, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.72248e-07,'m^3/(mol*s)'), n=3.74107, w0=(411,'kJ/mol'), E0=(34.7455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5416, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(4.18274e-09,'m^3/(mol*s)'), n=4.77538, w0=(411,'kJ/mol'), E0=(30.4988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1770153180681875, var=6.3342829805895885e-06, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 0.44980762323670415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 0.44980762323670415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 0.44980762323670415 +""", +) + +entry( + index = 5417, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(1.92763e-09,'m^3/(mol*s)'), n=4.93778, w0=(411,'kJ/mol'), E0=(33.3107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5418, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(5.6674e-08,'m^3/(mol*s)'), n=4.38506, w0=(411,'kJ/mol'), E0=(29.4508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_3C-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5419, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_N-3C-u1", + kinetics = ArrheniusBM(A=(3020,'m^3/(mol*s)'), n=-1.1369e-09, w0=(411,'kJ/mol'), E0=(22.4565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_4R!H->O_N-1CHNO->N_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5420, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O", + kinetics = ArrheniusBM(A=(0.0420791,'m^3/(mol*s)'), n=2.1732, w0=(409.438,'kJ/mol'), E0=(58.2991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9541622427885639, var=24.868073182136612, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O + Total Standard Deviation in ln(k): 12.39458514069813"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O +Total Standard Deviation in ln(k): 12.39458514069813""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O +Total Standard Deviation in ln(k): 12.39458514069813 +""", +) + +entry( + index = 5421, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R", + kinetics = ArrheniusBM(A=(47828.7,'m^3/(mol*s)'), n=0.322991, w0=(406.833,'kJ/mol'), E0=(40.9249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09088766003780603, var=0.8060573734850155, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R + Total Standard Deviation in ln(k): 2.028226100569719"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R +Total Standard Deviation in ln(k): 2.028226100569719""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R +Total Standard Deviation in ln(k): 2.028226100569719 +""", +) + +entry( + index = 5422, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_1CHNO->N", + kinetics = ArrheniusBM(A=(2.76758e+06,'m^3/(mol*s)'), n=-0.190271, w0=(398.5,'kJ/mol'), E0=(44.4366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22727112472317904, var=0.38702308728810864, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_1CHNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_1CHNO->N + Total Standard Deviation in ln(k): 1.8182023171048447"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_1CHNO->N +Total Standard Deviation in ln(k): 1.8182023171048447""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_1CHNO->N +Total Standard Deviation in ln(k): 1.8182023171048447 +""", +) + +entry( + index = 5423, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N", + kinetics = ArrheniusBM(A=(6.31781e-16,'m^3/(mol*s)'), n=6.30419, w0=(411,'kJ/mol'), E0=(9.0172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9960685300978004, var=26.583106611134756, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N + Total Standard Deviation in ln(k): 12.83885980226592"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N +Total Standard Deviation in ln(k): 12.83885980226592""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N +Total Standard Deviation in ln(k): 12.83885980226592 +""", +) + +entry( + index = 5424, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.39979e-16,'m^3/(mol*s)'), n=6.26068, w0=(411,'kJ/mol'), E0=(7.63306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.015904595221307, var=43.24262781646915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R + Total Standard Deviation in ln(k): 18.24804977495297"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R +Total Standard Deviation in ln(k): 18.24804977495297""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R +Total Standard Deviation in ln(k): 18.24804977495297 +""", +) + +entry( + index = 5425, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R_Ext-4BrCClFNS-R", + kinetics = ArrheniusBM(A=(2.99678e-07,'m^3/(mol*s)'), n=4.06357, w0=(411,'kJ/mol'), E0=(28.2586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R_Ext-4BrCClFNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R_Ext-4BrCClFNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R_Ext-4BrCClFNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_Ext-4BrCClFNS-R_N-1CHNO->N_Ext-5R!H-R_Ext-4BrCClFNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5426, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C", + kinetics = ArrheniusBM(A=(0.00280379,'m^3/(mol*s)'), n=2.57995, w0=(410.107,'kJ/mol'), E0=(80.4746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.095740349487615, var=27.46051685082246, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C + Total Standard Deviation in ln(k): 18.283611843680287"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C +Total Standard Deviation in ln(k): 18.283611843680287""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C +Total Standard Deviation in ln(k): 18.283611843680287 +""", +) + +entry( + index = 5427, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_1CHNO->N", + kinetics = ArrheniusBM(A=(0.82,'m^3/(mol*s)'), n=1.87, w0=(398.5,'kJ/mol'), E0=(88.4602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_1CHNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_1CHNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_1CHNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_1CHNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5428, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N", + kinetics = ArrheniusBM(A=(1.37636e-06,'m^3/(mol*s)'), n=3.58931, w0=(411,'kJ/mol'), E0=(44.5698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4670030610245253, var=15.777183916781665, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N + Total Standard Deviation in ln(k): 11.648845988384078"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N +Total Standard Deviation in ln(k): 11.648845988384078""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N +Total Standard Deviation in ln(k): 11.648845988384078 +""", +) + +entry( + index = 5429, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.18497e-06,'m^3/(mol*s)'), n=3.52604, w0=(411,'kJ/mol'), E0=(44.363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7600077761044635, var=18.500908292314517, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R + Total Standard Deviation in ln(k): 13.045033366749323"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R +Total Standard Deviation in ln(k): 13.045033366749323""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R +Total Standard Deviation in ln(k): 13.045033366749323 +""", +) + +entry( + index = 5430, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.65904e-06,'m^3/(mol*s)'), n=3.49648, w0=(411,'kJ/mol'), E0=(43.8529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.154791556020345, var=22.70963874916914, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 14.967540212650661"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 14.967540212650661""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 14.967540212650661 +""", +) + +entry( + index = 5431, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.72876e-06,'m^3/(mol*s)'), n=3.49886, w0=(411,'kJ/mol'), E0=(43.0013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.4345709783982077, var=24.05791050819226, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 15.950010307122227"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 15.950010307122227""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 15.950010307122227 +""", +) + +entry( + index = 5432, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C", + kinetics = ArrheniusBM(A=(4.67334e-06,'m^3/(mol*s)'), n=3.42405, w0=(411,'kJ/mol'), E0=(40.8147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9814882113051295, var=14.330771445377145, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C + Total Standard Deviation in ln(k): 12.567739786971028"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C +Total Standard Deviation in ln(k): 12.567739786971028""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C +Total Standard Deviation in ln(k): 12.567739786971028 +""", +) + +entry( + index = 5433, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C=5C", + kinetics = ArrheniusBM(A=(8.27276e-08,'m^3/(mol*s)'), n=3.98148, w0=(411,'kJ/mol'), E0=(49.2386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25215678066959624, var=1.2980889979303685, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C=5C + Total Standard Deviation in ln(k): 2.917628773813764"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C=5C +Total Standard Deviation in ln(k): 2.917628773813764""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_Sp-6C=5C +Total Standard Deviation in ln(k): 2.917628773813764 +""", +) + +entry( + index = 5434, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C=5C", + kinetics = ArrheniusBM(A=(5.96191e-06,'m^3/(mol*s)'), n=3.39042, w0=(411,'kJ/mol'), E0=(40.3108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.235124192504061, var=29.123489684406035, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C=5C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C=5C + Total Standard Deviation in ln(k): 18.947242863327"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C=5C +Total Standard Deviation in ln(k): 18.947242863327""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_6R!H->C_N-Sp-6C=5C +Total Standard Deviation in ln(k): 18.947242863327 +""", +) + +entry( + index = 5435, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.43775e-07,'m^3/(mol*s)'), n=4.00412, w0=(411,'kJ/mol'), E0=(88.6378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27065531613004334, var=5.999747914129563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_N-6R!H->C + Total Standard Deviation in ln(k): 5.590513333452184"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 5.590513333452184""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_5R!H->C_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 5.590513333452184 +""", +) + +entry( + index = 5436, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.42359e-09,'m^3/(mol*s)'), n=4.47351, w0=(411,'kJ/mol'), E0=(51.1947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08541606236614163, var=55.77757051148658, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 15.186853438019305"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 15.186853438019305""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_4BrCClFNS->C_N-1CHNO->N_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 15.186853438019305 +""", +) + +entry( + index = 5437, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C", + kinetics = ArrheniusBM(A=(1.40924e+16,'m^3/(mol*s)'), n=-2.76669, w0=(409.958,'kJ/mol'), E0=(133.089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.342100454738492, var=20.654375274419987, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C + Total Standard Deviation in ln(k): 9.970485411070186"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C +Total Standard Deviation in ln(k): 9.970485411070186""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C +Total Standard Deviation in ln(k): 9.970485411070186 +""", +) + +entry( + index = 5438, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_1CHNO->N", + kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(398.5,'kJ/mol'), E0=(75.3048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_1CHNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_1CHNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_1CHNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_1CHNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5439, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N", + kinetics = ArrheniusBM(A=(0.651038,'m^3/(mol*s)'), n=1.84621, w0=(411,'kJ/mol'), E0=(97.5232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.8645873516784064, var=23.63608203954344, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N + Total Standard Deviation in ln(k): 14.431304122072529"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N +Total Standard Deviation in ln(k): 14.431304122072529""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N +Total Standard Deviation in ln(k): 14.431304122072529 +""", +) + +entry( + index = 5440, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_4NS->N", + kinetics = ArrheniusBM(A=(0.53,'m^3/(mol*s)'), n=1.87, w0=(411,'kJ/mol'), E0=(97.3846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_4NS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_4NS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_4NS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_4NS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5441, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N", + kinetics = ArrheniusBM(A=(3.87937,'m^3/(mol*s)'), n=1.76554, w0=(411,'kJ/mol'), E0=(92.7785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3444163528042805, var=50.08407935934125, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N + Total Standard Deviation in ln(k): 15.052899159814988"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N +Total Standard Deviation in ln(k): 15.052899159814988""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N +Total Standard Deviation in ln(k): 15.052899159814988 +""", +) + +entry( + index = 5442, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(61686.3,'m^3/(mol*s)'), n=0.55735, w0=(411,'kJ/mol'), E0=(115.411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.510375838022432, var=46.929175610429105, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R + Total Standard Deviation in ln(k): 15.015763446157242"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R +Total Standard Deviation in ln(k): 15.015763446157242""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R +Total Standard Deviation in ln(k): 15.015763446157242 +""", +) + +entry( + index = 5443, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.14326e+11,'m^3/(mol*s)'), n=-1.41128, w0=(411,'kJ/mol'), E0=(130.512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7031568642905588, var=98.6427159196007, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 21.677562008165797"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 21.677562008165797""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 21.677562008165797 +""", +) + +entry( + index = 5444, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(1.9661e-06,'m^3/(mol*s)'), n=3.51077, w0=(411,'kJ/mol'), E0=(24.4111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23897735690976363, var=63.79566509258191, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 16.612703436710163"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 16.612703436710163""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 16.612703436710163 +""", +) + +entry( + index = 5445, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(3.02438e-08,'m^3/(mol*s)'), n=4.1131, w0=(411,'kJ/mol'), E0=(121.474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15419066822115596, var=297.6724362841542, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 34.97548144089171"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 34.97548144089171""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 34.97548144089171 +""", +) + +entry( + index = 5446, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(7.08029e-08,'m^3/(mol*s)'), n=3.97691, w0=(411,'kJ/mol'), E0=(81.2191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2328619016332007, var=139.01212217630817, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 24.221588740498397"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 24.221588740498397""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 24.221588740498397 +""", +) + +entry( + index = 5447, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.96689e-08,'m^3/(mol*s)'), n=4.11316, w0=(411,'kJ/mol'), E0=(93.4244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14574657629666726, var=182.86950670626698, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 27.47607998025871"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 27.47607998025871""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_Sp-4R!H=1CCHHNNOO_N-4R!H->O_N-4BrCClFNS->C_N-1CHNO->N_N-4NS->N_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 27.47607998025871 +""", +) + +entry( + index = 5448, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO", + kinetics = ArrheniusBM(A=(64.6313,'m^3/(mol*s)'), n=1.27249, w0=(413.074,'kJ/mol'), E0=(62.3155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3531025587125298, var=8.110942935933092, Tref=1000.0, N=149, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO',), comment="""BM rule fitted to 149 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO + Total Standard Deviation in ln(k): 6.596621171424645"""), + rank = 11, + shortDesc = """BM rule fitted to 149 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO +Total Standard Deviation in ln(k): 6.596621171424645""", + longDesc = +""" +BM rule fitted to 149 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO +Total Standard Deviation in ln(k): 6.596621171424645 +""", +) + +entry( + index = 5449, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO", + kinetics = ArrheniusBM(A=(133.332,'m^3/(mol*s)'), n=1.16839, w0=(413.223,'kJ/mol'), E0=(64.3454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46480053687140943, var=7.896201858809995, Tref=1000.0, N=139, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO',), comment="""BM rule fitted to 139 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO + Total Standard Deviation in ln(k): 6.801182446770378"""), + rank = 11, + shortDesc = """BM rule fitted to 139 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO +Total Standard Deviation in ln(k): 6.801182446770378""", + longDesc = +""" +BM rule fitted to 139 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO +Total Standard Deviation in ln(k): 6.801182446770378 +""", +) + +entry( + index = 5450, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl", + kinetics = ArrheniusBM(A=(0.00691431,'m^3/(mol*s)'), n=2.81208, w0=(414,'kJ/mol'), E0=(46.181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27132132316541197, var=5.255490195752343, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl + Total Standard Deviation in ln(k): 5.27753815067455"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl +Total Standard Deviation in ln(k): 5.27753815067455""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl +Total Standard Deviation in ln(k): 5.27753815067455 +""", +) + +entry( + index = 5451, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(9.53685e-05,'m^3/(mol*s)'), n=3.41121, w0=(411,'kJ/mol'), E0=(41.5355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2276368327584244, var=1.4965109337463314, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R + Total Standard Deviation in ln(k): 3.0243836278315968"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 3.0243836278315968""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 3.0243836278315968 +""", +) + +entry( + index = 5452, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl", + kinetics = ArrheniusBM(A=(0.000127507,'m^3/(mol*s)'), n=3.38944, w0=(411,'kJ/mol'), E0=(37.0452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24779870845491017, var=1.5248993064449332, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl + Total Standard Deviation in ln(k): 3.098193282862994"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl +Total Standard Deviation in ln(k): 3.098193282862994""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl +Total Standard Deviation in ln(k): 3.098193282862994 +""", +) + +entry( + index = 5453, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(2.68488e-08,'m^3/(mol*s)'), n=4.4481, w0=(411,'kJ/mol'), E0=(21.3104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11539316492820186, var=0.9380346497694584, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R + Total Standard Deviation in ln(k): 2.2315623796065354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 2.2315623796065354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 2.2315623796065354 +""", +) + +entry( + index = 5454, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_6R!H->C", + kinetics = ArrheniusBM(A=(2.15067e-07,'m^3/(mol*s)'), n=4.16365, w0=(411,'kJ/mol'), E0=(26.3868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5455, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.7906e-07,'m^3/(mol*s)'), n=4.14422, w0=(411,'kJ/mol'), E0=(23.6974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_5R!H->Cl_Ext-1CHNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5456, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(4.74924e-18,'m^3/(mol*s)'), n=7.20827, w0=(411,'kJ/mol'), E0=(1.87496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1771308048418157, var=1.4285779791560005, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl + Total Standard Deviation in ln(k): 2.8411744856910937"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.8411744856910937""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.8411744856910937 +""", +) + +entry( + index = 5457, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R", + kinetics = ArrheniusBM(A=(2.1915e-09,'m^3/(mol*s)'), n=4.62803, w0=(411,'kJ/mol'), E0=(35.4532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-5BrCFINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5458, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(1.05905e-09,'m^3/(mol*s)'), n=4.86567, w0=(411,'kJ/mol'), E0=(29.4805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-1CHNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-1CHNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_Ext-1CHNO-R_N-5R!H->Cl_Ext-1CHNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5459, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_1CHNO->C", + kinetics = ArrheniusBM(A=(4.4627e-08,'m^3/(mol*s)'), n=3.80413, w0=(411,'kJ/mol'), E0=(41.8718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_1CHNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_1CHNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_1CHNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_1CHNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5460, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_N-1CHNO->C", + kinetics = ArrheniusBM(A=(1.01856e-07,'m^3/(mol*s)'), n=4.29478, w0=(435,'kJ/mol'), E0=(22.2576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_N-1CHNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_N-1CHNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_N-1CHNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_4R!H->Cl_N-1CHNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5461, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl", + kinetics = ArrheniusBM(A=(157.027,'m^3/(mol*s)'), n=1.14659, w0=(413.176,'kJ/mol'), E0=(64.5868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4682247654818995, var=7.859623297062146, Tref=1000.0, N=131, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl',), comment="""BM rule fitted to 131 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl + Total Standard Deviation in ln(k): 6.796722873632646"""), + rank = 11, + shortDesc = """BM rule fitted to 131 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl +Total Standard Deviation in ln(k): 6.796722873632646""", + longDesc = +""" +BM rule fitted to 131 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl +Total Standard Deviation in ln(k): 6.796722873632646 +""", +) + +entry( + index = 5462, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0", + kinetics = ArrheniusBM(A=(6.61404e-13,'m^3/(mol*s)'), n=5.27904, w0=(412.837,'kJ/mol'), E0=(23.5013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12573491373665852, var=4.284496370659943, Tref=1000.0, N=129, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0',), comment="""BM rule fitted to 129 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0 + Total Standard Deviation in ln(k): 4.465523022622151"""), + rank = 11, + shortDesc = """BM rule fitted to 129 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0 +Total Standard Deviation in ln(k): 4.465523022622151""", + longDesc = +""" +BM rule fitted to 129 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0 +Total Standard Deviation in ln(k): 4.465523022622151 +""", +) + +entry( + index = 5463, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(1.21234e-17,'m^3/(mol*s)'), n=6.87176, w0=(411,'kJ/mol'), E0=(3.35147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28062457772970073, var=2.3654856851245567, Tref=1000.0, N=77, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R',), comment="""BM rule fitted to 77 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R + Total Standard Deviation in ln(k): 3.788396595260825"""), + rank = 11, + shortDesc = """BM rule fitted to 77 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R +Total Standard Deviation in ln(k): 3.788396595260825""", + longDesc = +""" +BM rule fitted to 77 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R +Total Standard Deviation in ln(k): 3.788396595260825 +""", +) + +entry( + index = 5464, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S", + kinetics = ArrheniusBM(A=(6.36463e-13,'m^3/(mol*s)'), n=5.41624, w0=(411,'kJ/mol'), E0=(19.3815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4739828144557828, var=1.2941967065808018, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S + Total Standard Deviation in ln(k): 3.4715536812707017"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S +Total Standard Deviation in ln(k): 3.4715536812707017""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S +Total Standard Deviation in ln(k): 3.4715536812707017 +""", +) + +entry( + index = 5465, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.52125e-10,'m^3/(mol*s)'), n=4.55754, w0=(411,'kJ/mol'), E0=(42.8882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05816205693055068, var=0.8438274228513248, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.9876870597764855"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9876870597764855""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9876870597764855 +""", +) + +entry( + index = 5466, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.52141e-13,'m^3/(mol*s)'), n=5.55051, w0=(411,'kJ/mol'), E0=(29.7911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018033752892274286, var=0.45789327410134434, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C + Total Standard Deviation in ln(k): 1.4018712942807958"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.4018712942807958""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.4018712942807958 +""", +) + +entry( + index = 5467, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(2.87694e-08,'m^3/(mol*s)'), n=4.08619, w0=(411,'kJ/mol'), E0=(57.2576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10815934322222724, var=0.6314885280097758, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C_Ext-1CHNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C_Ext-1CHNO-R + Total Standard Deviation in ln(k): 1.8648449815383714"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C_Ext-1CHNO-R +Total Standard Deviation in ln(k): 1.8648449815383714""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-6R!H->C_Ext-1CHNO-R +Total Standard Deviation in ln(k): 1.8648449815383714 +""", +) + +entry( + index = 5468, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(3.39338e-09,'m^3/(mol*s)'), n=4.21895, w0=(411,'kJ/mol'), E0=(45.3069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.078082541693622, var=0.6471061782356532, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 1.8088545263649842"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.8088545263649842""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.8088545263649842 +""", +) + +entry( + index = 5469, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(1.27445e-08,'m^3/(mol*s)'), n=3.98653, w0=(411,'kJ/mol'), E0=(43.0905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13964377214613127, var=2.2279349142623084, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing_Ext-1CHNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing_Ext-1CHNO-R + Total Standard Deviation in ln(k): 3.343185153384948"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing_Ext-1CHNO-R +Total Standard Deviation in ln(k): 3.343185153384948""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_5R!H-inRing_Ext-1CHNO-R +Total Standard Deviation in ln(k): 3.343185153384948 +""", +) + +entry( + index = 5470, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.05974e-07,'m^3/(mol*s)'), n=3.96788, w0=(411,'kJ/mol'), E0=(46.3826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09225636968670774, var=0.2894636436542182, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.3103839936659332"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.3103839936659332""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.3103839936659332 +""", +) + +entry( + index = 5471, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(1.59853e-06,'m^3/(mol*s)'), n=3.62432, w0=(411,'kJ/mol'), E0=(52.2086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14606859586499393, var=0.4566394580250118, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.7217083208605317"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.7217083208605317""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.7217083208605317 +""", +) + +entry( + index = 5472, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(8.02933e-07,'m^3/(mol*s)'), n=3.67457, w0=(411,'kJ/mol'), E0=(43.4775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-1CHNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-1CHNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-1CHNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-1CHNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5473, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(5.91232e-08,'m^3/(mol*s)'), n=4.04491, w0=(411,'kJ/mol'), E0=(43.9882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06884948475208878, var=0.3325384002842131, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.3290420437215142"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.3290420437215142""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.3290420437215142 +""", +) + +entry( + index = 5474, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(5.33233e-08,'m^3/(mol*s)'), n=4.03393, w0=(411,'kJ/mol'), E0=(40.78,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09100078504275005, var=0.08400319613852918, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-1CHNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-1CHNO-R + Total Standard Deviation in ln(k): 0.8096836679350469"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-1CHNO-R +Total Standard Deviation in ln(k): 0.8096836679350469""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-1CHNO-R +Total Standard Deviation in ln(k): 0.8096836679350469 +""", +) + +entry( + index = 5475, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(6.42378e-07,'m^3/(mol*s)'), n=3.70354, w0=(411,'kJ/mol'), E0=(37.062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29689471580248444, var=1.0967785421966632, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R + Total Standard Deviation in ln(k): 2.8454694410833152"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R +Total Standard Deviation in ln(k): 2.8454694410833152""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R +Total Standard Deviation in ln(k): 2.8454694410833152 +""", +) + +entry( + index = 5476, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_5R!H->O", + kinetics = ArrheniusBM(A=(5.12e-07,'m^3/(mol*s)'), n=3.74, w0=(411,'kJ/mol'), E0=(36.7019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5477, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.1777e-07,'m^3/(mol*s)'), n=3.84874, w0=(411,'kJ/mol'), E0=(35.6716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25092163104522347, var=4.200767934591636, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_N-5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_N-5R!H->O + Total Standard Deviation in ln(k): 4.739316270474007"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_N-5R!H->O +Total Standard Deviation in ln(k): 4.739316270474007""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_4BrCFNOS->S_Ext-1CHNO-R_N-5R!H->O +Total Standard Deviation in ln(k): 4.739316270474007 +""", +) + +entry( + index = 5478, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S", + kinetics = ArrheniusBM(A=(5.1958e-18,'m^3/(mol*s)'), n=6.98618, w0=(411,'kJ/mol'), E0=(3.29803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29044613084492854, var=2.5254361911356678, Tref=1000.0, N=57, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S',), comment="""BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S + Total Standard Deviation in ln(k): 3.9156131603625552"""), + rank = 11, + shortDesc = """BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 3.9156131603625552""", + longDesc = +""" +BM rule fitted to 57 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 3.9156131603625552 +""", +) + +entry( + index = 5479, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F", + kinetics = ArrheniusBM(A=(1.34855e-12,'m^3/(mol*s)'), n=5.61348, w0=(411,'kJ/mol'), E0=(27.1748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07282722693027192, var=1.8220844525088378, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F + Total Standard Deviation in ln(k): 2.8890667774138192"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F +Total Standard Deviation in ln(k): 2.8890667774138192""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F +Total Standard Deviation in ln(k): 2.8890667774138192 +""", +) + +entry( + index = 5480, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_5R!H->Br", + kinetics = ArrheniusBM(A=(7.07831e-08,'m^3/(mol*s)'), n=3.78433, w0=(411,'kJ/mol'), E0=(30.5253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5481, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br", + kinetics = ArrheniusBM(A=(2.15349e-12,'m^3/(mol*s)'), n=5.59497, w0=(411,'kJ/mol'), E0=(28.4093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0860805694048602, var=1.4427188234107116, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br + Total Standard Deviation in ln(k): 2.6242349098831923"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br +Total Standard Deviation in ln(k): 2.6242349098831923""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br +Total Standard Deviation in ln(k): 2.6242349098831923 +""", +) + +entry( + index = 5482, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F", + kinetics = ArrheniusBM(A=(2.46872e-10,'m^3/(mol*s)'), n=5.04992, w0=(411,'kJ/mol'), E0=(31.2665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1341558398216011, var=0.6493074622691658, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F + Total Standard Deviation in ln(k): 1.9524828150402895"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F +Total Standard Deviation in ln(k): 1.9524828150402895""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F +Total Standard Deviation in ln(k): 1.9524828150402895 +""", +) + +entry( + index = 5483, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(2.97584e-10,'m^3/(mol*s)'), n=5.01083, w0=(411,'kJ/mol'), E0=(30.5262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13750932634340374, var=0.7881884149045575, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R + Total Standard Deviation in ln(k): 2.1253041417162"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R +Total Standard Deviation in ln(k): 2.1253041417162""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R +Total Standard Deviation in ln(k): 2.1253041417162 +""", +) + +entry( + index = 5484, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.16217e-10,'m^3/(mol*s)'), n=5.13527, w0=(411,'kJ/mol'), E0=(29.0317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11877961899317123, var=0.8439744022542014, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C + Total Standard Deviation in ln(k): 2.140152867491671"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C +Total Standard Deviation in ln(k): 2.140152867491671""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C +Total Standard Deviation in ln(k): 2.140152867491671 +""", +) + +entry( + index = 5485, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(3.47346e-10,'m^3/(mol*s)'), n=5.00522, w0=(411,'kJ/mol'), E0=(29.2201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11985618497769397, var=0.796421613131944, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 2.0902210328099735"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.0902210328099735""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 2.0902210328099735 +""", +) + +entry( + index = 5486, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.53507e-09,'m^3/(mol*s)'), n=4.82707, w0=(411,'kJ/mol'), E0=(29.3772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12352064603100693, var=0.5621854449191023, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R + Total Standard Deviation in ln(k): 1.8134842315074848"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 1.8134842315074848""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R +Total Standard Deviation in ln(k): 1.8134842315074848 +""", +) + +entry( + index = 5487, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(2.83631e-09,'m^3/(mol*s)'), n=4.73559, w0=(411,'kJ/mol'), E0=(26.5702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5488, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(1.12661e-09,'m^3/(mol*s)'), n=4.8706, w0=(411,'kJ/mol'), E0=(30.1947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.151361181666705, var=0.8532299416678961, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 2.232087221943626"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 2.232087221943626""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 2.232087221943626 +""", +) + +entry( + index = 5489, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.64924e-09,'m^3/(mol*s)'), n=4.71964, w0=(411,'kJ/mol'), E0=(31.0248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08674584948186423, var=1.431411290622783, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R + Total Standard Deviation in ln(k): 2.6164515562148956"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R +Total Standard Deviation in ln(k): 2.6164515562148956""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R +Total Standard Deviation in ln(k): 2.6164515562148956 +""", +) + +entry( + index = 5490, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_7BrF->Br", + kinetics = ArrheniusBM(A=(2.53506e-09,'m^3/(mol*s)'), n=4.77398, w0=(411,'kJ/mol'), E0=(30.761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_7BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_7BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5491, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_N-7BrF->Br", + kinetics = ArrheniusBM(A=(5.02707e-10,'m^3/(mol*s)'), n=4.87759, w0=(411,'kJ/mol'), E0=(29.4382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_N-7BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_N-7BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_N-7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_6R!H->C_Ext-6C-R_Ext-6C-R_N-7R!H->Cl_Ext-6C-R_N-7BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5492, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.38377e-10,'m^3/(mol*s)'), n=5.06144, w0=(411,'kJ/mol'), E0=(32.4607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_5CFNO->F_Ext-1CHNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5493, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F", + kinetics = ArrheniusBM(A=(7.05337e-11,'m^3/(mol*s)'), n=5.07087, w0=(411,'kJ/mol'), E0=(36.9453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15706213897735669, var=0.8094118610480306, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F + Total Standard Deviation in ln(k): 2.1982349057177095"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F +Total Standard Deviation in ln(k): 2.1982349057177095""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F +Total Standard Deviation in ln(k): 2.1982349057177095 +""", +) + +entry( + index = 5494, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.49249e-11,'m^3/(mol*s)'), n=5.172, w0=(411,'kJ/mol'), E0=(35.4097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1563655327485339, var=1.2108188560585944, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R + Total Standard Deviation in ln(k): 2.598832858949541"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R +Total Standard Deviation in ln(k): 2.598832858949541""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R +Total Standard Deviation in ln(k): 2.598832858949541 +""", +) + +entry( + index = 5495, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.76293e-10,'m^3/(mol*s)'), n=4.89221, w0=(411,'kJ/mol'), E0=(36.3063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20804728130473044, var=1.7683468638992976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 3.188612606469441"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 3.188612606469441""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 3.188612606469441 +""", +) + +entry( + index = 5496, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.17005e-10,'m^3/(mol*s)'), n=4.83336, w0=(411,'kJ/mol'), E0=(35.6663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_4BrCFNO->F_N-5R!H->Br_N-5CFNO->F_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5497, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F", + kinetics = ArrheniusBM(A=(2.03485e-15,'m^3/(mol*s)'), n=6.11725, w0=(411,'kJ/mol'), E0=(18.3343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.238263059207408, var=3.4150361418740935, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F + Total Standard Deviation in ln(k): 4.30336451867213"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F +Total Standard Deviation in ln(k): 4.30336451867213""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F +Total Standard Deviation in ln(k): 4.30336451867213 +""", +) + +entry( + index = 5498, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_4BrCNO->N", + kinetics = ArrheniusBM(A=(6.15e+06,'m^3/(mol*s)'), n=-3.81654e-10, w0=(411,'kJ/mol'), E0=(57.938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_4BrCNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_4BrCNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_4BrCNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_4BrCNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5499, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N", + kinetics = ArrheniusBM(A=(4.44052e-17,'m^3/(mol*s)'), n=6.58716, w0=(411,'kJ/mol'), E0=(16.6325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23164371704592593, var=1.360439668773365, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N + Total Standard Deviation in ln(k): 2.920300024118884"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N +Total Standard Deviation in ln(k): 2.920300024118884""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N +Total Standard Deviation in ln(k): 2.920300024118884 +""", +) + +entry( + index = 5500, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R", + kinetics = ArrheniusBM(A=(3.18255e-19,'m^3/(mol*s)'), n=7.22289, w0=(411,'kJ/mol'), E0=(8.42144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43690923291758554, var=4.108838618865957, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R + Total Standard Deviation in ln(k): 5.161414100665664"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R +Total Standard Deviation in ln(k): 5.161414100665664""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R +Total Standard Deviation in ln(k): 5.161414100665664 +""", +) + +entry( + index = 5501, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-3C-u1", + kinetics = ArrheniusBM(A=(1.09e+06,'m^3/(mol*s)'), n=6.26255e-08, w0=(411,'kJ/mol'), E0=(43.6878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5502, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R", + kinetics = ArrheniusBM(A=(9.45505e-24,'m^3/(mol*s)'), n=8.58774, w0=(411,'kJ/mol'), E0=(-6.87622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6369320647490734, var=6.801081542313845, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R + Total Standard Deviation in ln(k): 6.828457034272027"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R +Total Standard Deviation in ln(k): 6.828457034272027""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R +Total Standard Deviation in ln(k): 6.828457034272027 +""", +) + +entry( + index = 5503, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO", + kinetics = ArrheniusBM(A=(4.10003e-14,'m^3/(mol*s)'), n=5.60808, w0=(411,'kJ/mol'), E0=(53.5031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2976576759193637, var=14.326291789733306, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO + Total Standard Deviation in ln(k): 8.335823563431608"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO +Total Standard Deviation in ln(k): 8.335823563431608""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO +Total Standard Deviation in ln(k): 8.335823563431608 +""", +) + +entry( + index = 5504, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C", + kinetics = ArrheniusBM(A=(3.58768e-18,'m^3/(mol*s)'), n=6.65575, w0=(411,'kJ/mol'), E0=(4.52397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2195866980000441, var=14.42951163549615, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C + Total Standard Deviation in ln(k): 8.166951532839292"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C +Total Standard Deviation in ln(k): 8.166951532839292""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C +Total Standard Deviation in ln(k): 8.166951532839292 +""", +) + +entry( + index = 5505, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.23429e-09,'m^3/(mol*s)'), n=4.04251, w0=(411,'kJ/mol'), E0=(76.9497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2154472054065614, var=14.467633916283317, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 8.166603746906887"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.166603746906887""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_7R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.166603746906887 +""", +) + +entry( + index = 5506, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.46004e-06,'m^3/(mol*s)'), n=3.67444, w0=(411,'kJ/mol'), E0=(85.6866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4206464501315492, var=41.34537988109162, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_N-7R!H->C + Total Standard Deviation in ln(k): 13.947421984176618"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_N-7R!H->C +Total Standard Deviation in ln(k): 13.947421984176618""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Sp-7R!H=4BrBrCCOO_N-7R!H->C +Total Standard Deviation in ln(k): 13.947421984176618 +""", +) + +entry( + index = 5507, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.65885e-24,'m^3/(mol*s)'), n=8.50044, w0=(411,'kJ/mol'), E0=(18.1621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.207818741184638, var=6.207680892617447, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.516998794845939"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.516998794845939""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.516998794845939 +""", +) + +entry( + index = 5508, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_Ext-4BrCO-R", + kinetics = ArrheniusBM(A=(6.65e-09,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(46.1699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_Ext-4BrCO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_Ext-4BrCO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_Ext-4BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_Ext-4BrCO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5509, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_1CHNO-inRing", + kinetics = ArrheniusBM(A=(1.83e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(72.8752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_1CHNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_1CHNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_1CHNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_1CHNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5510, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_N-1CHNO-inRing", + kinetics = ArrheniusBM(A=(1.73971e-08,'m^3/(mol*s)'), n=4.01797, w0=(411,'kJ/mol'), E0=(75.0062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1658931605812231, var=0.713586442511827, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_N-1CHNO-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_N-1CHNO-inRing + Total Standard Deviation in ln(k): 2.110297815172161"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_N-1CHNO-inRing +Total Standard Deviation in ln(k): 2.110297815172161""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-5R!H-R_N-1CHNO-inRing +Total Standard Deviation in ln(k): 2.110297815172161 +""", +) + +entry( + index = 5511, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.98891e-12,'m^3/(mol*s)'), n=5.11135, w0=(411,'kJ/mol'), E0=(37.728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6162253534470409, var=2.324257936788755, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.604627211859843"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.604627211859843""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.604627211859843 +""", +) + +entry( + index = 5512, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_4BrCO-inRing", + kinetics = ArrheniusBM(A=(4.56979e-10,'m^3/(mol*s)'), n=4.43234, w0=(411,'kJ/mol'), E0=(43.1058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00021561342426773916, var=6.431901743115258, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_4BrCO-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_4BrCO-inRing + Total Standard Deviation in ln(k): 5.0847893161063205"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_4BrCO-inRing +Total Standard Deviation in ln(k): 5.0847893161063205""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_4BrCO-inRing +Total Standard Deviation in ln(k): 5.0847893161063205 +""", +) + +entry( + index = 5513, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_N-4BrCO-inRing", + kinetics = ArrheniusBM(A=(7.19e-08,'m^3/(mol*s)'), n=3.96, w0=(411,'kJ/mol'), E0=(48.292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_N-4BrCO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_N-4BrCO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_N-4BrCO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_Ext-7R!H-R_N-4BrCO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5514, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.77859e-08,'m^3/(mol*s)'), n=4.07705, w0=(411,'kJ/mol'), E0=(37.7688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08974795491063081, var=7.859189404714418, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_7R!H->C + Total Standard Deviation in ln(k): 5.845620976859142"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_7R!H->C +Total Standard Deviation in ln(k): 5.845620976859142""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_7R!H->C +Total Standard Deviation in ln(k): 5.845620976859142 +""", +) + +entry( + index = 5515, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.46e-08,'m^3/(mol*s)'), n=4.47, w0=(411,'kJ/mol'), E0=(44.4319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_Ext-4BrCO-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5516, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_4BrCO->O", + kinetics = ArrheniusBM(A=(3.89e-07,'m^3/(mol*s)'), n=3.53, w0=(411,'kJ/mol'), E0=(34.9841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_4BrCO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_4BrCO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_4BrCO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_4BrCO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5517, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-4BrCO->O", + kinetics = ArrheniusBM(A=(7.74625e-07,'m^3/(mol*s)'), n=3.65694, w0=(411,'kJ/mol'), E0=(41.9587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4126103427530227, var=0.10337007534207698, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-4BrCO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-4BrCO->O + Total Standard Deviation in ln(k): 1.6812561285484242"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-4BrCO->O +Total Standard Deviation in ln(k): 1.6812561285484242""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_Ext-1CHNO-R_N-4BrCO->O +Total Standard Deviation in ln(k): 1.6812561285484242 +""", +) + +entry( + index = 5518, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1", + kinetics = ArrheniusBM(A=(2.17512e-16,'m^3/(mol*s)'), n=6.38632, w0=(411,'kJ/mol'), E0=(19.3359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24346528378479967, var=0.2821201622576637, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1 + Total Standard Deviation in ln(k): 1.6765365525089413"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1 +Total Standard Deviation in ln(k): 1.6765365525089413""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1 +Total Standard Deviation in ln(k): 1.6765365525089413 +""", +) + +entry( + index = 5519, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_4BrCO->O", + kinetics = ArrheniusBM(A=(4.78862e-07,'m^3/(mol*s)'), n=3.73149, w0=(411,'kJ/mol'), E0=(45.1493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07781596110898552, var=0.0022632422814714563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_4BrCO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_4BrCO->O + Total Standard Deviation in ln(k): 0.2908898466975809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_4BrCO->O +Total Standard Deviation in ln(k): 0.2908898466975809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_4BrCO->O +Total Standard Deviation in ln(k): 0.2908898466975809 +""", +) + +entry( + index = 5520, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O", + kinetics = ArrheniusBM(A=(1.43728e-15,'m^3/(mol*s)'), n=6.13841, w0=(411,'kJ/mol'), E0=(26.0392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1449397666089027, var=0.3899983940571805, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O + Total Standard Deviation in ln(k): 1.616124344768582"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O +Total Standard Deviation in ln(k): 1.616124344768582""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O +Total Standard Deviation in ln(k): 1.616124344768582 +""", +) + +entry( + index = 5521, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.27263e-15,'m^3/(mol*s)'), n=6.08334, w0=(411,'kJ/mol'), E0=(27.423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13353716026975385, var=0.36603307306950905, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R + Total Standard Deviation in ln(k): 1.5483986004488182"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R +Total Standard Deviation in ln(k): 1.5483986004488182""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R +Total Standard Deviation in ln(k): 1.5483986004488182 +""", +) + +entry( + index = 5522, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(3.14796e-11,'m^3/(mol*s)'), n=4.95771, w0=(411,'kJ/mol'), E0=(51.2887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09433631912673913, var=1.0180458292788301, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C + Total Standard Deviation in ln(k): 2.2597686807096258"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 2.2597686807096258""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 2.2597686807096258 +""", +) + +entry( + index = 5523, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C", + kinetics = ArrheniusBM(A=(6.81435e-09,'m^3/(mol*s)'), n=4.3018, w0=(411,'kJ/mol'), E0=(56.0574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4098752722849325, var=3.1772655258960008, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C + Total Standard Deviation in ln(k): 4.603254742219323"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C +Total Standard Deviation in ln(k): 4.603254742219323""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C +Total Standard Deviation in ln(k): 4.603254742219323 +""", +) + +entry( + index = 5524, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.44385e-08,'m^3/(mol*s)'), n=3.89932, w0=(411,'kJ/mol'), E0=(55.0963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16269642640565557, var=23.779983363943355, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 10.184820326032883"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 10.184820326032883""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_6R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 10.184820326032883 +""", +) + +entry( + index = 5525, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C", + kinetics = ArrheniusBM(A=(5.60621e-06,'m^3/(mol*s)'), n=3.43937, w0=(411,'kJ/mol'), E0=(69.8966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3296581249540767, var=0.6795436617797803, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C + Total Standard Deviation in ln(k): 2.480878846563989"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C +Total Standard Deviation in ln(k): 2.480878846563989""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_Sp-6R!H=4C_N-6R!H->C +Total Standard Deviation in ln(k): 2.480878846563989 +""", +) + +entry( + index = 5526, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(3.51554e-08,'m^3/(mol*s)'), n=3.954, w0=(411,'kJ/mol'), E0=(45.287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33116755405762865, var=1.6798739313770785, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C + Total Standard Deviation in ln(k): 3.4304154265109252"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 3.4304154265109252""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 3.4304154265109252 +""", +) + +entry( + index = 5527, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.91291e-09,'m^3/(mol*s)'), n=4.41503, w0=(411,'kJ/mol'), E0=(70.9921,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007920818332712392, var=7.920093111283214, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.661759318255849"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.661759318255849""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-Sp-6R!H=4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.661759318255849 +""", +) + +entry( + index = 5528, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing", + kinetics = ArrheniusBM(A=(5.55528e-07,'m^3/(mol*s)'), n=3.75163, w0=(411,'kJ/mol'), E0=(49.5876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4162336700234892, var=1.3159601446977371, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing + Total Standard Deviation in ln(k): 3.3455512212116654"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing +Total Standard Deviation in ln(k): 3.3455512212116654""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing +Total Standard Deviation in ln(k): 3.3455512212116654 +""", +) + +entry( + index = 5529, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.27e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(55.2705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5530, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.65792e-08,'m^3/(mol*s)'), n=4.14644, w0=(411,'kJ/mol'), E0=(41.2727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35284590584850156, var=0.16503885151521006, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.7009706067463644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.7009706067463644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.7009706067463644 +""", +) + +entry( + index = 5531, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.04e-08,'m^3/(mol*s)'), n=4.24, w0=(411,'kJ/mol'), E0=(40.2293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_1CHNO-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5532, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-1CHNO-inRing", + kinetics = ArrheniusBM(A=(7.49808e-09,'m^3/(mol*s)'), n=4.2229, w0=(411,'kJ/mol'), E0=(49.3667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05753612848709401, var=0.05198173979149923, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-1CHNO-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-1CHNO-inRing + Total Standard Deviation in ln(k): 0.6016327977750455"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-1CHNO-inRing +Total Standard Deviation in ln(k): 0.6016327977750455""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_3C-u1_N-4BrCO->O_Ext-4C-R_N-1CHNO-inRing +Total Standard Deviation in ln(k): 0.6016327977750455 +""", +) + +entry( + index = 5533, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_N-3C-u1", + kinetics = ArrheniusBM(A=(7.55e-07,'m^3/(mol*s)'), n=3.46, w0=(411,'kJ/mol'), E0=(52.9889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_Ext-1CHNO-R_N-4BrCFNOS->S_N-4BrCFNO->F_N-4BrCNO->N_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5534, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N", + kinetics = ArrheniusBM(A=(4722.21,'m^3/(mol*s)'), n=0.897295, w0=(398.5,'kJ/mol'), E0=(70.0305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2432874419799346, var=0.9143400819133694, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N + Total Standard Deviation in ln(k): 2.528225347553906"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N +Total Standard Deviation in ln(k): 2.528225347553906""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N +Total Standard Deviation in ln(k): 2.528225347553906 +""", +) + +entry( + index = 5535, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C", + kinetics = ArrheniusBM(A=(2.71137,'m^3/(mol*s)'), n=1.79684, w0=(398.5,'kJ/mol'), E0=(66.8447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.4117194680004177, var=11.623339586417382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C + Total Standard Deviation in ln(k): 12.894343803100893"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C +Total Standard Deviation in ln(k): 12.894343803100893""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C +Total Standard Deviation in ln(k): 12.894343803100893 +""", +) + +entry( + index = 5536, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.115e+06,'m^3/(mol*s)'), n=5.72794e-09, w0=(398.5,'kJ/mol'), E0=(51.4947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_4BrCFNOS->C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5537, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C", + kinetics = ArrheniusBM(A=(3.86096,'m^3/(mol*s)'), n=1.79183, w0=(398.5,'kJ/mol'), E0=(59.7207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0827601061844722, var=0.5652881489575947, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C + Total Standard Deviation in ln(k): 1.7152130004983555"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C +Total Standard Deviation in ln(k): 1.7152130004983555""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C +Total Standard Deviation in ln(k): 1.7152130004983555 +""", +) + +entry( + index = 5538, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_Ext-4BrFNOS-R", + kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(398.5,'kJ/mol'), E0=(55.8143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_Ext-4BrFNOS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_Ext-4BrFNOS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_Ext-4BrFNOS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_Ext-4BrFNOS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5539, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_4BrFNOS->N", + kinetics = ArrheniusBM(A=(1.96175,'m^3/(mol*s)'), n=1.93654, w0=(398.5,'kJ/mol'), E0=(59.4824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5040587340317699, var=0.8657714596407463, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_4BrFNOS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_4BrFNOS->N + Total Standard Deviation in ln(k): 3.1318218886196507"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_4BrFNOS->N +Total Standard Deviation in ln(k): 3.1318218886196507""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_4BrFNOS->N +Total Standard Deviation in ln(k): 3.1318218886196507 +""", +) + +entry( + index = 5540, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_N-4BrFNOS->N", + kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(398.5,'kJ/mol'), E0=(61.0972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_N-4BrFNOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_N-4BrFNOS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_N-4BrFNOS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_1CHNO->N_N-4BrCFNOS->C_N-4BrFNOS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5541, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N", + kinetics = ArrheniusBM(A=(1.45379e-13,'m^3/(mol*s)'), n=5.43642, w0=(417.783,'kJ/mol'), E0=(20.4499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25944233245744736, var=4.241515321962588, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N',), comment="""BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N + Total Standard Deviation in ln(k): 4.7806049162202555"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N +Total Standard Deviation in ln(k): 4.7806049162202555""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N +Total Standard Deviation in ln(k): 4.7806049162202555 +""", +) + +entry( + index = 5542, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S", + kinetics = ArrheniusBM(A=(4.25831e-07,'m^3/(mol*s)'), n=3.4231, w0=(411,'kJ/mol'), E0=(50.0883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2399418202298442, var=8.720318059019073, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S + Total Standard Deviation in ln(k): 6.522888597517436"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S +Total Standard Deviation in ln(k): 6.522888597517436""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S +Total Standard Deviation in ln(k): 6.522888597517436 +""", +) + +entry( + index = 5543, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R", + kinetics = ArrheniusBM(A=(4.17388e-07,'m^3/(mol*s)'), n=3.42484, w0=(411,'kJ/mol'), E0=(50.0712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23397615315885592, var=8.827027177503014, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R + Total Standard Deviation in ln(k): 6.54401050970322"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R +Total Standard Deviation in ln(k): 6.54401050970322""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R +Total Standard Deviation in ln(k): 6.54401050970322 +""", +) + +entry( + index = 5544, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R", + kinetics = ArrheniusBM(A=(1.98081e-13,'m^3/(mol*s)'), n=5.09, w0=(411,'kJ/mol'), E0=(34.4351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2126433136041131, var=0.03961097558068686, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R + Total Standard Deviation in ln(k): 0.9332722068873166"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 0.9332722068873166""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 0.9332722068873166 +""", +) + +entry( + index = 5545, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R", + kinetics = ArrheniusBM(A=(1.88333e-13,'m^3/(mol*s)'), n=5.14, w0=(411,'kJ/mol'), E0=(37.5268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_4BrCFNOS->S_Ext-4S-R_Ext-4S-R_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5546, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S", + kinetics = ArrheniusBM(A=(1.03151e-13,'m^3/(mol*s)'), n=5.48969, w0=(418.61,'kJ/mol'), E0=(19.5529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07275047075080086, var=4.32754258304673, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S + Total Standard Deviation in ln(k): 4.353189671451062"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 4.353189671451062""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 4.353189671451062 +""", +) + +entry( + index = 5547, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br", + kinetics = ArrheniusBM(A=(1.10854e-06,'m^3/(mol*s)'), n=3.86481, w0=(423,'kJ/mol'), E0=(35.4332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12744015812989415, var=12.30454929868631, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br + Total Standard Deviation in ln(k): 7.352379233381666"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br +Total Standard Deviation in ln(k): 7.352379233381666""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br +Total Standard Deviation in ln(k): 7.352379233381666 +""", +) + +entry( + index = 5548, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_1CO->C", + kinetics = ArrheniusBM(A=(1.68097e-09,'m^3/(mol*s)'), n=4.7148, w0=(411,'kJ/mol'), E0=(41.3425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_1CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_1CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_1CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_1CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5549, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_N-1CO->C", + kinetics = ArrheniusBM(A=(6.1911e-08,'m^3/(mol*s)'), n=4.18155, w0=(435,'kJ/mol'), E0=(18.4015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_N-1CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_N-1CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_N-1CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_4BrCFNO->Br_N-1CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5550, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br", + kinetics = ArrheniusBM(A=(1.37548e-13,'m^3/(mol*s)'), n=5.449, w0=(418.385,'kJ/mol'), E0=(19.5529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10372430243900108, var=4.257935397858962, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br + Total Standard Deviation in ln(k): 4.397337610179368"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br +Total Standard Deviation in ln(k): 4.397337610179368""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br +Total Standard Deviation in ln(k): 4.397337610179368 +""", +) + +entry( + index = 5551, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing", + kinetics = ArrheniusBM(A=(1.15522e-13,'m^3/(mol*s)'), n=5.47063, w0=(419,'kJ/mol'), E0=(19.5529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09618856619463159, var=4.197983598160087, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing + Total Standard Deviation in ln(k): 4.349177790748818"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing +Total Standard Deviation in ln(k): 4.349177790748818""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing +Total Standard Deviation in ln(k): 4.349177790748818 +""", +) + +entry( + index = 5552, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N", + kinetics = ArrheniusBM(A=(6.2143e-22,'m^3/(mol*s)'), n=7.93854, w0=(423,'kJ/mol'), E0=(8.55716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5750310764919877, var=19.227986252936716, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N + Total Standard Deviation in ln(k): 10.235510438720121"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N +Total Standard Deviation in ln(k): 10.235510438720121""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N +Total Standard Deviation in ln(k): 10.235510438720121 +""", +) + +entry( + index = 5553, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C", + kinetics = ArrheniusBM(A=(12.7901,'m^3/(mol*s)'), n=1.56343, w0=(411,'kJ/mol'), E0=(59.089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004024334453327805, var=0.575237193321951, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C + Total Standard Deviation in ln(k): 1.5305905416497465"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C +Total Standard Deviation in ln(k): 1.5305905416497465""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C +Total Standard Deviation in ln(k): 1.5305905416497465 +""", +) + +entry( + index = 5554, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C_Ext-4N-R", + kinetics = ArrheniusBM(A=(0.79,'m^3/(mol*s)'), n=1.87, w0=(411,'kJ/mol'), E0=(50.8613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_1CO->C_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5555, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C", + kinetics = ArrheniusBM(A=(0.00842402,'m^3/(mol*s)'), n=2.43891, w0=(435,'kJ/mol'), E0=(112.976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28393633265492074, var=2.9789554904462157, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C + Total Standard Deviation in ln(k): 4.17351062842944"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C +Total Standard Deviation in ln(k): 4.17351062842944""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C +Total Standard Deviation in ln(k): 4.17351062842944 +""", +) + +entry( + index = 5556, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C_Ext-4N-R", + kinetics = ArrheniusBM(A=(0.81,'m^3/(mol*s)'), n=1.87, w0=(435,'kJ/mol'), E0=(112.621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_4CFNO->N_N-1CO->C_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5557, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N", + kinetics = ArrheniusBM(A=(1.35079e-07,'m^3/(mol*s)'), n=3.70923, w0=(418.5,'kJ/mol'), E0=(36.041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46810558687401044, var=1.5277166091997645, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N + Total Standard Deviation in ln(k): 3.654013959827441"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N +Total Standard Deviation in ln(k): 3.654013959827441""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N +Total Standard Deviation in ln(k): 3.654013959827441 +""", +) + +entry( + index = 5558, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C", + kinetics = ArrheniusBM(A=(2.78878e-06,'m^3/(mol*s)'), n=3.53148, w0=(411,'kJ/mol'), E0=(50.6045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15086804310812693, var=0.9927427947434344, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C + Total Standard Deviation in ln(k): 2.376512879330123"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C +Total Standard Deviation in ln(k): 2.376512879330123""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C +Total Standard Deviation in ln(k): 2.376512879330123 +""", +) + +entry( + index = 5559, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_4CFO->F", + kinetics = ArrheniusBM(A=(8.49967e-11,'m^3/(mol*s)'), n=5.16834, w0=(411,'kJ/mol'), E0=(43.0977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_4CFO->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_4CFO->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_4CFO->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_4CFO->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5560, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F", + kinetics = ArrheniusBM(A=(2.86226e-06,'m^3/(mol*s)'), n=3.52743, w0=(411,'kJ/mol'), E0=(50.6237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06953174865897041, var=0.9422647612808075, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F + Total Standard Deviation in ln(k): 2.1207057015648636"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F +Total Standard Deviation in ln(k): 2.1207057015648636""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F +Total Standard Deviation in ln(k): 2.1207057015648636 +""", +) + +entry( + index = 5561, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R", + kinetics = ArrheniusBM(A=(5.80192e-18,'m^3/(mol*s)'), n=6.87896, w0=(411,'kJ/mol'), E0=(15.9093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26282964720106994, var=1.7179738415545167, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R + Total Standard Deviation in ln(k): 3.2880123581537477"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R +Total Standard Deviation in ln(k): 3.2880123581537477""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R +Total Standard Deviation in ln(k): 3.2880123581537477 +""", +) + +entry( + index = 5562, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_5R!H->S", + kinetics = ArrheniusBM(A=(5.99084e-09,'m^3/(mol*s)'), n=4.24657, w0=(411,'kJ/mol'), E0=(60.4904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08083479896842506, var=50.80205895671358, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_5R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_5R!H->S + Total Standard Deviation in ln(k): 14.491964661361646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_5R!H->S +Total Standard Deviation in ln(k): 14.491964661361646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_5R!H->S +Total Standard Deviation in ln(k): 14.491964661361646 +""", +) + +entry( + index = 5563, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S", + kinetics = ArrheniusBM(A=(8.84488e-18,'m^3/(mol*s)'), n=6.82701, w0=(411,'kJ/mol'), E0=(16.3328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2522902657311724, var=1.6136535767949935, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S + Total Standard Deviation in ln(k): 3.180503391238436"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S +Total Standard Deviation in ln(k): 3.180503391238436""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S +Total Standard Deviation in ln(k): 3.180503391238436 +""", +) + +entry( + index = 5564, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R", + kinetics = ArrheniusBM(A=(1.33118e-14,'m^3/(mol*s)'), n=5.90928, w0=(411,'kJ/mol'), E0=(29.0555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16949762259214748, var=4.423946609337667, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R + Total Standard Deviation in ln(k): 4.642468797214661"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R +Total Standard Deviation in ln(k): 4.642468797214661""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R +Total Standard Deviation in ln(k): 4.642468797214661 +""", +) + +entry( + index = 5565, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_5BrCClFINOPSi->O", + kinetics = ArrheniusBM(A=(4.73e-07,'m^3/(mol*s)'), n=3.6, w0=(411,'kJ/mol'), E0=(50.8534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_5BrCClFINOPSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_5BrCClFINOPSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5566, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O", + kinetics = ArrheniusBM(A=(4.29546e-19,'m^3/(mol*s)'), n=7.24034, w0=(411,'kJ/mol'), E0=(14.3193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31279979700972327, var=6.152475511924524, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O + Total Standard Deviation in ln(k): 5.758510940755251"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 5.758510940755251""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 5.758510940755251 +""", +) + +entry( + index = 5567, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F", + kinetics = ArrheniusBM(A=(6.65625e-08,'m^3/(mol*s)'), n=3.93913, w0=(411,'kJ/mol'), E0=(39.3963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16715626206201267, var=27.244396219809953, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F + Total Standard Deviation in ln(k): 10.88393886032963"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F +Total Standard Deviation in ln(k): 10.88393886032963""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F +Total Standard Deviation in ln(k): 10.88393886032963 +""", +) + +entry( + index = 5568, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F_Ext-4CO-R", + kinetics = ArrheniusBM(A=(5.81787e-08,'m^3/(mol*s)'), n=4.19783, w0=(411,'kJ/mol'), E0=(37.7168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F_Ext-4CO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F_Ext-4CO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F_Ext-4CO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_5CClFN->F_Ext-4CO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5569, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F", + kinetics = ArrheniusBM(A=(2.84096e-21,'m^3/(mol*s)'), n=7.94725, w0=(411,'kJ/mol'), E0=(6.14641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2578912028251949, var=10.378505848878108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F + Total Standard Deviation in ln(k): 7.106359922134628"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F +Total Standard Deviation in ln(k): 7.106359922134628""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F +Total Standard Deviation in ln(k): 7.106359922134628 +""", +) + +entry( + index = 5570, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_5CCl->C", + kinetics = ArrheniusBM(A=(1.98e-08,'m^3/(mol*s)'), n=4.26, w0=(411,'kJ/mol'), E0=(59.1095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_5CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_5CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5571, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_N-5CCl->C", + kinetics = ArrheniusBM(A=(1.77445e-09,'m^3/(mol*s)'), n=4.57744, w0=(411,'kJ/mol'), E0=(36.5444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_N-5CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_N-5CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_N-5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_Ext-4CO-R_N-5BrCClFINOPSi->O_N-5CClFN->F_N-5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5572, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_5BrCClFINOPSi->O", + kinetics = ArrheniusBM(A=(6.66667e-07,'m^3/(mol*s)'), n=3.57, w0=(411,'kJ/mol'), E0=(37.3217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_5BrCClFINOPSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_5BrCClFINOPSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5573, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O", + kinetics = ArrheniusBM(A=(4.05159e-19,'m^3/(mol*s)'), n=7.26413, w0=(411,'kJ/mol'), E0=(9.70391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3667974721299694, var=0.20611405086823248, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O + Total Standard Deviation in ln(k): 1.8317471104893353"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 1.8317471104893353""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O +Total Standard Deviation in ln(k): 1.8317471104893353 +""", +) + +entry( + index = 5574, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_5CClFN->F", + kinetics = ArrheniusBM(A=(1.55638e-09,'m^3/(mol*s)'), n=4.66453, w0=(411,'kJ/mol'), E0=(44.127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_5CClFN->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_5CClFN->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_5CClFN->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_5CClFN->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5575, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F", + kinetics = ArrheniusBM(A=(1.06912e-18,'m^3/(mol*s)'), n=7.12085, w0=(411,'kJ/mol'), E0=(8.55171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3414137426226341, var=0.10587741348974126, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F + Total Standard Deviation in ln(k): 1.5101404051955625"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F +Total Standard Deviation in ln(k): 1.5101404051955625""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F +Total Standard Deviation in ln(k): 1.5101404051955625 +""", +) + +entry( + index = 5576, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO", + kinetics = ArrheniusBM(A=(2.07712e-08,'m^3/(mol*s)'), n=4.25414, w0=(411,'kJ/mol'), E0=(60.9896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008651843088594078, var=0.11866855479655658, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO + Total Standard Deviation in ln(k): 0.7123355038265605"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO +Total Standard Deviation in ln(k): 0.7123355038265605""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO +Total Standard Deviation in ln(k): 0.7123355038265605 +""", +) + +entry( + index = 5577, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO_Ext-5CClN-R", + kinetics = ArrheniusBM(A=(2.4e-08,'m^3/(mol*s)'), n=4.25, w0=(411,'kJ/mol'), E0=(61.8404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO_Ext-5CClN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO_Ext-5CClN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO_Ext-5CClN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_Sp-5CCCClClNNO=4CCCCClClNNOO_Ext-5CClN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5578, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO", + kinetics = ArrheniusBM(A=(7.33012,'m^3/(mol*s)'), n=1.66361, w0=(411,'kJ/mol'), E0=(52.9393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1932783676062826, var=0.48085237828305993, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO + Total Standard Deviation in ln(k): 1.8757779109858497"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO +Total Standard Deviation in ln(k): 1.8757779109858497""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO +Total Standard Deviation in ln(k): 1.8757779109858497 +""", +) + +entry( + index = 5579, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_5CClN->C", + kinetics = ArrheniusBM(A=(9.53788e-09,'m^3/(mol*s)'), n=4.27486, w0=(411,'kJ/mol'), E0=(47.0471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03584305173903701, var=0.8619850533747437, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_5CClN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_5CClN->C + Total Standard Deviation in ln(k): 1.951317117385889"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_5CClN->C +Total Standard Deviation in ln(k): 1.951317117385889""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_5CClN->C +Total Standard Deviation in ln(k): 1.951317117385889 +""", +) + +entry( + index = 5580, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C", + kinetics = ArrheniusBM(A=(132.243,'m^3/(mol*s)'), n=1.30068, w0=(411,'kJ/mol'), E0=(55.2934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03592732758324795, var=0.0016847245174349394, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C + Total Standard Deviation in ln(k): 0.1725548120461741"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C +Total Standard Deviation in ln(k): 0.1725548120461741""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C +Total Standard Deviation in ln(k): 0.1725548120461741 +""", +) + +entry( + index = 5581, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_5ClN->N", + kinetics = ArrheniusBM(A=(2e+06,'m^3/(mol*s)'), n=-1.48945e-09, w0=(411,'kJ/mol'), E0=(60.6248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_5ClN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_5ClN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5582, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_N-5ClN->N", + kinetics = ArrheniusBM(A=(2.68569e-09,'m^3/(mol*s)'), n=4.62824, w0=(411,'kJ/mol'), E0=(41.6357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_N-5ClN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_N-5ClN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_N-5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_Ext-4CO-R_N-5R!H->S_N-5BrCClFINOPSi->O_N-5CClFN->F_N-Sp-5CCCClClNNO=4CCCCClClNNOO_N-5CClN->C_N-5ClN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5583, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_4CO->C", + kinetics = ArrheniusBM(A=(5.5791e-06,'m^3/(mol*s)'), n=3.44511, w0=(411,'kJ/mol'), E0=(51.4326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3528471494844443, var=4.701050198461687, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_4CO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_4CO->C + Total Standard Deviation in ln(k): 7.745761062012798"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_4CO->C +Total Standard Deviation in ln(k): 7.745761062012798""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_4CO->C +Total Standard Deviation in ln(k): 7.745761062012798 +""", +) + +entry( + index = 5584, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_N-4CO->C", + kinetics = ArrheniusBM(A=(7.3e-14,'m^3/(mol*s)'), n=5.58, w0=(411,'kJ/mol'), E0=(31.1287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_N-4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_N-4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_1CO->C_N-4CFO->F_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5585, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C", + kinetics = ArrheniusBM(A=(7.18602e-09,'m^3/(mol*s)'), n=3.97863, w0=(435,'kJ/mol'), E0=(7.58065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09251722155582452, var=1.3631096865337171, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C + Total Standard Deviation in ln(k): 2.573029411362943"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C +Total Standard Deviation in ln(k): 2.573029411362943""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C +Total Standard Deviation in ln(k): 2.573029411362943 +""", +) + +entry( + index = 5586, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1", + kinetics = ArrheniusBM(A=(7.19474e-09,'m^3/(mol*s)'), n=3.97848, w0=(435,'kJ/mol'), E0=(7.53123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09238457997681059, var=1.3624194111992751, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1 + Total Standard Deviation in ln(k): 2.572103435589336"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1 +Total Standard Deviation in ln(k): 2.572103435589336""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1 +Total Standard Deviation in ln(k): 2.572103435589336 +""", +) + +entry( + index = 5587, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C", + kinetics = ArrheniusBM(A=(9.9353e-13,'m^3/(mol*s)'), n=5.31587, w0=(435,'kJ/mol'), E0=(10.6743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6548711850533906, var=2.5718961442538397, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C + Total Standard Deviation in ln(k): 7.372987980514824"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C +Total Standard Deviation in ln(k): 7.372987980514824""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C +Total Standard Deviation in ln(k): 7.372987980514824 +""", +) + +entry( + index = 5588, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.22662e-12,'m^3/(mol*s)'), n=5.20219, w0=(435,'kJ/mol'), E0=(6.21765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.935024240095663, var=20.13812010187149, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R + Total Standard Deviation in ln(k): 16.370785033309946"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R +Total Standard Deviation in ln(k): 16.370785033309946""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R +Total Standard Deviation in ln(k): 16.370785033309946 +""", +) + +entry( + index = 5589, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.000228811,'m^3/(mol*s)'), n=3.23602, w0=(435,'kJ/mol'), E0=(41.7151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0861063754926736, var=2.1114297412438576, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 5.641942835361146"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 5.641942835361146""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 5.641942835361146 +""", +) + +entry( + index = 5590, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.09073e-08,'m^3/(mol*s)'), n=3.94447, w0=(435,'kJ/mol'), E0=(5.08308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5591, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.82,'m^3/(mol*s)'), n=1.87, w0=(435,'kJ/mol'), E0=(59.7399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_4CFO->C_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5592, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C", + kinetics = ArrheniusBM(A=(1.72641e-08,'m^3/(mol*s)'), n=3.8478, w0=(435,'kJ/mol'), E0=(12.7916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1618014527347309, var=2.6345813162932217, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C + Total Standard Deviation in ln(k): 3.6605006833293823"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C +Total Standard Deviation in ln(k): 3.6605006833293823""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C +Total Standard Deviation in ln(k): 3.6605006833293823 +""", +) + +entry( + index = 5593, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C_Ext-4O-R", + kinetics = ArrheniusBM(A=(3.35765e-08,'m^3/(mol*s)'), n=3.77778, w0=(435,'kJ/mol'), E0=(31.6521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_3C-u1_N-4CFO->C_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5594, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_N-3C-u1", + kinetics = ArrheniusBM(A=(1.44e-05,'m^3/(mol*s)'), n=3.1, w0=(435,'kJ/mol'), E0=(39.229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_4BrCFNOS-u0_N-1CHNO->N_N-4BrCFNOS->S_N-4BrCFNO->Br_N-4CFNO-inRing_N-4CFNO->N_N-1CO->C_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5595, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_N-4BrCFNOS-u0", + kinetics = ArrheniusBM(A=(33656,'m^3/(mol*s)'), n=0.413654, w0=(435,'kJ/mol'), E0=(52.403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.710298586693716, var=6.6446032184086645, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_N-4BrCFNOS-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_N-4BrCFNOS-u0 + Total Standard Deviation in ln(k): 9.464863875819681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_N-4BrCFNOS-u0 +Total Standard Deviation in ln(k): 9.464863875819681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_Sp-4R!H-1CHNO_N-4R!H->Cl_N-4BrCFNOS-u0 +Total Standard Deviation in ln(k): 9.464863875819681 +""", +) + +entry( + index = 5596, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO", + kinetics = ArrheniusBM(A=(9742.01,'m^3/(mol*s)'), n=0.995497, w0=(411,'kJ/mol'), E0=(42.7579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37555950866921545, var=2.4186341115219787, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO + Total Standard Deviation in ln(k): 4.061372515558951"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO +Total Standard Deviation in ln(k): 4.061372515558951""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO +Total Standard Deviation in ln(k): 4.061372515558951 +""", +) + +entry( + index = 5597, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing", + kinetics = ArrheniusBM(A=(1128.7,'m^3/(mol*s)'), n=1.31545, w0=(411,'kJ/mol'), E0=(44.3891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04737510137068462, var=5.704496025362574, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing + Total Standard Deviation in ln(k): 4.907159579083123"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing +Total Standard Deviation in ln(k): 4.907159579083123""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing +Total Standard Deviation in ln(k): 4.907159579083123 +""", +) + +entry( + index = 5598, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(55.5,'m^3/(mol*s)'), n=1.80464, w0=(411,'kJ/mol'), E0=(37.5451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5599, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(16.05,'m^3/(mol*s)'), n=1.81483, w0=(411,'kJ/mol'), E0=(36.5176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5600, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(105,'m^3/(mol*s)'), n=1.81188, w0=(411,'kJ/mol'), E0=(40.2503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_1CHNO-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5601, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing", + kinetics = ArrheniusBM(A=(19.0817,'m^3/(mol*s)'), n=1.74791, w0=(411,'kJ/mol'), E0=(28.396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.247615581221161, var=8.11224544365124, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing + Total Standard Deviation in ln(k): 8.844599738596354"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing +Total Standard Deviation in ln(k): 8.844599738596354""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing +Total Standard Deviation in ln(k): 8.844599738596354 +""", +) + +entry( + index = 5602, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0", + kinetics = ArrheniusBM(A=(4.95199,'m^3/(mol*s)'), n=1.91671, w0=(411,'kJ/mol'), E0=(21.8924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4035068164602962, var=5.903124689247449, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0 + Total Standard Deviation in ln(k): 8.39717290911518"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0 +Total Standard Deviation in ln(k): 8.39717290911518""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0 +Total Standard Deviation in ln(k): 8.39717290911518 +""", +) + +entry( + index = 5603, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_4R!H->N", + kinetics = ArrheniusBM(A=(10.3947,'m^3/(mol*s)'), n=1.82506, w0=(411,'kJ/mol'), E0=(26.6721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5604, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_N-4R!H->N", + kinetics = ArrheniusBM(A=(7.84034e+07,'m^3/(mol*s)'), n=-0.629606, w0=(411,'kJ/mol'), E0=(39.5398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_N-4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_N-4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5605, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_N-4R!H-u0", + kinetics = ArrheniusBM(A=(3.53703e+08,'m^3/(mol*s)'), n=-1.07429, w0=(411,'kJ/mol'), E0=(22.4463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_Ext-1CHNO-R_N-Sp-4R!H=1CCHHNNOO_N-Sp-4R!H-1CHNO_N-1CHNO-inRing_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5606, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1", + kinetics = ArrheniusBM(A=(0.241344,'m^3/(mol*s)'), n=1.89837, w0=(417.286,'kJ/mol'), E0=(34.8366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11613735297109677, var=1.051968214879368, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1 + Total Standard Deviation in ln(k): 2.3479689852447168"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1 +Total Standard Deviation in ln(k): 2.3479689852447168""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1 +Total Standard Deviation in ln(k): 2.3479689852447168 +""", +) + +entry( + index = 5607, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0", + kinetics = ArrheniusBM(A=(28.1968,'m^3/(mol*s)'), n=1.34844, w0=(419.091,'kJ/mol'), E0=(42.034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18652308971023232, var=0.6545642952937569, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0 + Total Standard Deviation in ln(k): 2.090584858071612"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0 +Total Standard Deviation in ln(k): 2.090584858071612""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0 +Total Standard Deviation in ln(k): 2.090584858071612 +""", +) + +entry( + index = 5608, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_1CHNO->O", + kinetics = ArrheniusBM(A=(0.118433,'m^3/(mol*s)'), n=2.01263, w0=(435,'kJ/mol'), E0=(31.8777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0023500172744557, var=3.8926225056912545, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_1CHNO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_1CHNO->O + Total Standard Deviation in ln(k): 6.473755583797249"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_1CHNO->O +Total Standard Deviation in ln(k): 6.473755583797249""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_1CHNO->O +Total Standard Deviation in ln(k): 6.473755583797249 +""", +) + +entry( + index = 5609, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O", + kinetics = ArrheniusBM(A=(0.0291072,'m^3/(mol*s)'), n=2.22054, w0=(413.125,'kJ/mol'), E0=(37.4192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6586971760178918, var=2.7998973851906683, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O + Total Standard Deviation in ln(k): 5.0095199664601955"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O +Total Standard Deviation in ln(k): 5.0095199664601955""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O +Total Standard Deviation in ln(k): 5.0095199664601955 +""", +) + +entry( + index = 5610, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_1CHN->C", + kinetics = ArrheniusBM(A=(5.18e-09,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(43.0952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.551115123149543e-17, var=9.518654527381256e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_1CHN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_1CHN->C + Total Standard Deviation in ln(k): 6.19901969885214e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_1CHN->C +Total Standard Deviation in ln(k): 6.19901969885214e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_1CHN->C +Total Standard Deviation in ln(k): 6.19901969885214e-14 +""", +) + +entry( + index = 5611, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C", + kinetics = ArrheniusBM(A=(0.0292832,'m^3/(mol*s)'), n=2.21972, w0=(413.833,'kJ/mol'), E0=(37.4168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6462280821292415, var=2.78252802980671, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C + Total Standard Deviation in ln(k): 4.967769456270894"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C +Total Standard Deviation in ln(k): 4.967769456270894""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C +Total Standard Deviation in ln(k): 4.967769456270894 +""", +) + +entry( + index = 5612, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_1HN->N", + kinetics = ArrheniusBM(A=(0.0208148,'m^3/(mol*s)'), n=2.46051, w0=(398.5,'kJ/mol'), E0=(54.8376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.8454327574546725, var=37.59688706419872, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_1HN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_1HN->N + Total Standard Deviation in ln(k): 19.44162237819856"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_1HN->N +Total Standard Deviation in ln(k): 19.44162237819856""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_1HN->N +Total Standard Deviation in ln(k): 19.44162237819856 +""", +) + +entry( + index = 5613, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_N-1HN->N", + kinetics = ArrheniusBM(A=(0.0303968,'m^3/(mol*s)'), n=2.2109, w0=(421.5,'kJ/mol'), E0=(37.0836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.963111721110249, var=22.919429883130636, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_N-1HN->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_N-1HN->N + Total Standard Deviation in ln(k): 17.042521425471193"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_N-1HN->N +Total Standard Deviation in ln(k): 17.042521425471193""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_1CHNO-u0_N-1CHNO->O_N-1CHN->C_N-1HN->N +Total Standard Deviation in ln(k): 17.042521425471193 +""", +) + +entry( + index = 5614, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0", + kinetics = ArrheniusBM(A=(1.10256e-08,'m^3/(mol*s)'), n=3.96157, w0=(410.667,'kJ/mol'), E0=(9.4313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0965288464283822, var=1.7847881608016003, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0 + Total Standard Deviation in ln(k): 5.43334275720208"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0 +Total Standard Deviation in ln(k): 5.43334275720208""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0 +Total Standard Deviation in ln(k): 5.43334275720208 +""", +) + +entry( + index = 5615, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_1CHNO->N", + kinetics = ArrheniusBM(A=(838831,'m^3/(mol*s)'), n=0.0555431, w0=(398.5,'kJ/mol'), E0=(60.1341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8132321552685318, var=14.184384248174194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_1CHNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_1CHNO->N + Total Standard Deviation in ln(k): 12.10612535404892"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_1CHNO->N +Total Standard Deviation in ln(k): 12.10612535404892""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_1CHNO->N +Total Standard Deviation in ln(k): 12.10612535404892 +""", +) + +entry( + index = 5616, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_N-1CHNO->N", + kinetics = ArrheniusBM(A=(1.37858,'m^3/(mol*s)'), n=1.55913, w0=(435,'kJ/mol'), E0=(24.799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_N-1CHNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_N-1CHNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_N-1CHNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_3C-u1_N-1CHNO-u0_N-1CHNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5617, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_N-3C-u1", + kinetics = ArrheniusBM(A=(0.31763,'m^3/(mol*s)'), n=2.14015, w0=(398.5,'kJ/mol'), E0=(24.2812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-3C-inRing_N-1BrCClHINOPSSi->I_N-1BrCClHNO->Br_N-1CClHNO->Cl_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5618, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O", + kinetics = ArrheniusBM(A=(1.36176e+07,'m^3/(mol*s)'), n=-0.355229, w0=(435,'kJ/mol'), E0=(43.7512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7573646033702017, var=24.02165125835294, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O + Total Standard Deviation in ln(k): 11.72851116665086"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 11.72851116665086""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O +Total Standard Deviation in ln(k): 11.72851116665086 +""", +) + +entry( + index = 5619, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(1.31753e+18,'m^3/(mol*s)'), n=-3.39905, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.580019546816476, var=9.910356887435217, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R + Total Standard Deviation in ln(k): 7.768385772492384"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R +Total Standard Deviation in ln(k): 7.768385772492384""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R +Total Standard Deviation in ln(k): 7.768385772492384 +""", +) + +entry( + index = 5620, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0", + kinetics = ArrheniusBM(A=(1.40644e+18,'m^3/(mol*s)'), n=-3.40568, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5911685165687912, var=9.894300717728614, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0 + Total Standard Deviation in ln(k): 7.791283793166075"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0 +Total Standard Deviation in ln(k): 7.791283793166075""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0 +Total Standard Deviation in ln(k): 7.791283793166075 +""", +) + +entry( + index = 5621, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0_Ext-3C-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.60279e+18,'m^3/(mol*s)'), n=-3.62994, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0_Ext-3C-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0_Ext-3C-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0_Ext-3C-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_4R!H-u0_Ext-3C-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5622, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(5.10553e+10,'m^3/(mol*s)'), n=-1.66762, w0=(435,'kJ/mol'), E0=(49.864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-1O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5623, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0", + kinetics = ArrheniusBM(A=(1.90657e-06,'m^3/(mol*s)'), n=2.9825, w0=(435,'kJ/mol'), E0=(67.3518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06796447373909241, var=8.08745752965407, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0 + Total Standard Deviation in ln(k): 5.871921944303621"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0 +Total Standard Deviation in ln(k): 5.871921944303621""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0 +Total Standard Deviation in ln(k): 5.871921944303621 +""", +) + +entry( + index = 5624, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.04974e-06,'m^3/(mol*s)'), n=2.87659, w0=(435,'kJ/mol'), E0=(65.8568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5625, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.81228e-06,'m^3/(mol*s)'), n=2.85261, w0=(435,'kJ/mol'), E0=(67.9015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_N-1O-u0_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5626, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(56.9017,'m^3/(mol*s)'), n=1.02879, w0=(435,'kJ/mol'), E0=(29.8899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.4730302043107972, var=16.7058488483819, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 16.92011793571668"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 16.92011793571668""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 16.92011793571668 +""", +) + +entry( + index = 5627, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0510075,'m^3/(mol*s)'), n=2.1267, w0=(435,'kJ/mol'), E0=(4.50397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4897091485344941, var=0.08036905710935048, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.798756101581891"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.798756101581891""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.798756101581891 +""", +) + +entry( + index = 5628, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0879764,'m^3/(mol*s)'), n=2.05965, w0=(435,'kJ/mol'), E0=(7.2253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5629, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00510578,'m^3/(mol*s)'), n=2.49763, w0=(435,'kJ/mol'), E0=(-11.9217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5630, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.451535,'m^3/(mol*s)'), n=1.79191, w0=(435,'kJ/mol'), E0=(14.8461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5631, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00286853,'m^3/(mol*s)'), n=2.61922, w0=(435,'kJ/mol'), E0=(6.80129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5632, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(6.9491e-06,'m^3/(mol*s)'), n=2.99032, w0=(435,'kJ/mol'), E0=(11.6128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5633, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1.68515e-06,'m^3/(mol*s)'), n=3.35823, w0=(435,'kJ/mol'), E0=(1.62813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4155355100933122, var=6.648854587499243, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 8.725906050564117"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 8.725906050564117""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 8.725906050564117 +""", +) + +entry( + index = 5634, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000526853,'m^3/(mol*s)'), n=3.10831, w0=(435,'kJ/mol'), E0=(14.6924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5635, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.00952e-05,'m^3/(mol*s)'), n=3.06799, w0=(435,'kJ/mol'), E0=(12.9147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->O_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5636, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(1679.6,'m^3/(mol*s)'), n=0.689249, w0=(412.361,'kJ/mol'), E0=(0.16901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2008303478881458, var=4.013448306474106, Tref=1000.0, N=133, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C',), comment="""BM rule fitted to 133 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C + Total Standard Deviation in ln(k): 4.520803436101868"""), + rank = 11, + shortDesc = """BM rule fitted to 133 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 4.520803436101868""", + longDesc = +""" +BM rule fitted to 133 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 4.520803436101868 +""", +) + +entry( + index = 5637, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(6.16409e+07,'m^3/(mol*s)'), n=-0.821554, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.197075922301259, var=99.25345011937156, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 38.055484181884204"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 38.055484181884204""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 38.055484181884204 +""", +) + +entry( + index = 5638, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(10.5282,'m^3/(mol*s)'), n=2.33746, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5639, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.988139,'m^3/(mol*s)'), n=2.59097, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5640, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.43534e+09,'m^3/(mol*s)'), n=0.126927, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5641, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(3.34343e-07,'m^3/(mol*s)'), n=3.91364, w0=(412.14,'kJ/mol'), E0=(0.19136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25382975179515505, var=5.175927692041505, Tref=1000.0, N=129, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 129 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 5.198668861038234"""), + rank = 11, + shortDesc = """BM rule fitted to 129 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 5.198668861038234""", + longDesc = +""" +BM rule fitted to 129 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 5.198668861038234 +""", +) + +entry( + index = 5642, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.53369,'m^3/(mol*s)'), n=1.81613, w0=(419.75,'kJ/mol'), E0=(30.7519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00526004013737844, var=0.7477190939813769, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.7467256769318356"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.7467256769318356""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.7467256769318356 +""", +) + +entry( + index = 5643, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(161.514,'m^3/(mol*s)'), n=1.42351, w0=(421.5,'kJ/mol'), E0=(41.2941,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5644, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.466062,'m^3/(mol*s)'), n=1.94251, w0=(419.4,'kJ/mol'), E0=(28.699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031422637998084535, var=0.8016655613932919, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 1.8739065081834194"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 1.8739065081834194""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 1.8739065081834194 +""", +) + +entry( + index = 5645, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_1CH->C", + kinetics = ArrheniusBM(A=(1.56852,'m^3/(mol*s)'), n=1.98661, w0=(411,'kJ/mol'), E0=(36.2492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_1CH->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_1CH->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_1CH->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_1CH->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5646, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C", + kinetics = ArrheniusBM(A=(1.73565,'m^3/(mol*s)'), n=1.6851, w0=(421.5,'kJ/mol'), E0=(27.241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05961937498658353, var=0.20877985721707318, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C + Total Standard Deviation in ln(k): 1.0658096870846872"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C +Total Standard Deviation in ln(k): 1.0658096870846872""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C +Total Standard Deviation in ln(k): 1.0658096870846872 +""", +) + +entry( + index = 5647, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1.71288,'m^3/(mol*s)'), n=1.58876, w0=(421.5,'kJ/mol'), E0=(19.9318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18904682696251934, var=0.08967453041102239, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.0753240986514"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.0753240986514""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.0753240986514 +""", +) + +entry( + index = 5648, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(123.081,'m^3/(mol*s)'), n=1.4148, w0=(421.5,'kJ/mol'), E0=(47.39,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Sp-5R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5649, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.606861,'m^3/(mol*s)'), n=2.00093, w0=(421.5,'kJ/mol'), E0=(37.9821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009710268650967562, var=2.0039908980473387, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 2.8623484578766147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.8623484578766147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.8623484578766147 +""", +) + +entry( + index = 5650, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_5R!H-u1", + kinetics = ArrheniusBM(A=(17.2583,'m^3/(mol*s)'), n=1.69995, w0=(411,'kJ/mol'), E0=(-12.9013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_5R!H-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_5R!H-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_5R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_5R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5651, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1", + kinetics = ArrheniusBM(A=(3.85266e-08,'m^3/(mol*s)'), n=4.21182, w0=(411.775,'kJ/mol'), E0=(0.218756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2548821643334371, var=5.870783735186585, Tref=1000.0, N=122, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1',), comment="""BM rule fitted to 122 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1 + Total Standard Deviation in ln(k): 5.497820445827272"""), + rank = 11, + shortDesc = """BM rule fitted to 122 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1 +Total Standard Deviation in ln(k): 5.497820445827272""", + longDesc = +""" +BM rule fitted to 122 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1 +Total Standard Deviation in ln(k): 5.497820445827272 +""", +) + +entry( + index = 5652, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(18.3524,'m^3/(mol*s)'), n=2.02353, w0=(416.25,'kJ/mol'), E0=(26.1798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0758848236663427, var=0.6821375172975244, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 1.8464084999633597"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 1.8464084999633597""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 1.8464084999633597 +""", +) + +entry( + index = 5653, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_1CH->C", + kinetics = ArrheniusBM(A=(141.425,'m^3/(mol*s)'), n=1.99511, w0=(411,'kJ/mol'), E0=(40.168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_1CH->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_1CH->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_1CH->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_1CH->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5654, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_N-1CH->C", + kinetics = ArrheniusBM(A=(62.9666,'m^3/(mol*s)'), n=1.64446, w0=(421.5,'kJ/mol'), E0=(12.6236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_N-1CH->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_N-1CH->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_N-1CH->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H-6R!H_N-1CH->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5655, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(6.10857e-09,'m^3/(mol*s)'), n=4.41171, w0=(411.7,'kJ/mol'), E0=(0.208545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31849759119736337, var=4.837487588179463, Tref=1000.0, N=120, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 120 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 5.209517516574395"""), + rank = 11, + shortDesc = """BM rule fitted to 120 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 5.209517516574395""", + longDesc = +""" +BM rule fitted to 120 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 5.209517516574395 +""", +) + +entry( + index = 5656, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C", + kinetics = ArrheniusBM(A=(5.68594e-09,'m^3/(mol*s)'), n=4.44363, w0=(411,'kJ/mol'), E0=(0.221522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3206486100079466, var=5.709873405731352, Tref=1000.0, N=112, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C',), comment="""BM rule fitted to 112 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C + Total Standard Deviation in ln(k): 5.5960326827708355"""), + rank = 11, + shortDesc = """BM rule fitted to 112 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C +Total Standard Deviation in ln(k): 5.5960326827708355""", + longDesc = +""" +BM rule fitted to 112 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C +Total Standard Deviation in ln(k): 5.5960326827708355 +""", +) + +entry( + index = 5657, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.43344e-07,'m^3/(mol*s)'), n=3.81145, w0=(411,'kJ/mol'), E0=(0.220696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21712592008417314, var=5.833965129950397, Tref=1000.0, N=107, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R',), comment="""BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.38769992745098"""), + rank = 11, + shortDesc = """BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.38769992745098""", + longDesc = +""" +BM rule fitted to 107 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.38769992745098 +""", +) + +entry( + index = 5658, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.44792e-07,'m^3/(mol*s)'), n=3.82572, w0=(411,'kJ/mol'), E0=(0.220462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23968572376071978, var=3.7724788074349456, Tref=1000.0, N=82, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 82 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.495996324658667"""), + rank = 11, + shortDesc = """BM rule fitted to 82 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.495996324658667""", + longDesc = +""" +BM rule fitted to 82 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.495996324658667 +""", +) + +entry( + index = 5659, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.45588e-05,'m^3/(mol*s)'), n=3.37802, w0=(411,'kJ/mol'), E0=(0.234209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23027196473447853, var=4.027327459079565, Tref=1000.0, N=62, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 62 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.601715696578859"""), + rank = 11, + shortDesc = """BM rule fitted to 62 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.601715696578859""", + longDesc = +""" +BM rule fitted to 62 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.601715696578859 +""", +) + +entry( + index = 5660, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S", + kinetics = ArrheniusBM(A=(9.16773e-05,'m^3/(mol*s)'), n=3.1275, w0=(411,'kJ/mol'), E0=(41.5334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14235559727534308, var=7.089858691162289, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S + Total Standard Deviation in ln(k): 5.695643082913905"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S +Total Standard Deviation in ln(k): 5.695643082913905""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S +Total Standard Deviation in ln(k): 5.695643082913905 +""", +) + +entry( + index = 5661, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C", + kinetics = ArrheniusBM(A=(3.59643e-07,'m^3/(mol*s)'), n=3.81882, w0=(411,'kJ/mol'), E0=(28.883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0024166225676700735, var=5.372450512070986, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C + Total Standard Deviation in ln(k): 4.652756581398157"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C +Total Standard Deviation in ln(k): 4.652756581398157""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C +Total Standard Deviation in ln(k): 4.652756581398157 +""", +) + +entry( + index = 5662, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H", + kinetics = ArrheniusBM(A=(0.000438586,'m^3/(mol*s)'), n=2.98235, w0=(411,'kJ/mol'), E0=(18.6894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14588511676494897, var=2.766669150302418, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H + Total Standard Deviation in ln(k): 3.7010829990990888"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 3.7010829990990888""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 3.7010829990990888 +""", +) + +entry( + index = 5663, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0360985,'m^3/(mol*s)'), n=2.40963, w0=(411,'kJ/mol'), E0=(15.8402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.186624157462197, var=7.632943788624221, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H_Ext-1C-R + Total Standard Deviation in ln(k): 6.0075434342310725"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 6.0075434342310725""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_Sp-10R!H#8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 6.0075434342310725 +""", +) + +entry( + index = 5664, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H", + kinetics = ArrheniusBM(A=(3.94803e-06,'m^3/(mol*s)'), n=3.50334, w0=(411,'kJ/mol'), E0=(48.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03955537995760806, var=6.344182704515911, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H + Total Standard Deviation in ln(k): 5.1488441443242685"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 5.1488441443242685""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 5.1488441443242685 +""", +) + +entry( + index = 5665, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.97495e-08,'m^3/(mol*s)'), n=4.2291, w0=(411,'kJ/mol'), E0=(37.9121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.034833374036032434, var=7.776457478406679, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing + Total Standard Deviation in ln(k): 5.677985491596319"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing +Total Standard Deviation in ln(k): 5.677985491596319""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing +Total Standard Deviation in ln(k): 5.677985491596319 +""", +) + +entry( + index = 5666, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C", + kinetics = ArrheniusBM(A=(6.71878e-09,'m^3/(mol*s)'), n=4.35377, w0=(411,'kJ/mol'), E0=(31.9918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014550921157893162, var=7.82697923509752, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C + Total Standard Deviation in ln(k): 5.645155100246925"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 5.645155100246925""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C +Total Standard Deviation in ln(k): 5.645155100246925 +""", +) + +entry( + index = 5667, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.78286e-09,'m^3/(mol*s)'), n=4.36503, w0=(411,'kJ/mol'), E0=(38.039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5668, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C", + kinetics = ArrheniusBM(A=(1.14049e-08,'m^3/(mol*s)'), n=4.32105, w0=(411,'kJ/mol'), E0=(44.8752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00029211388427840445, var=14.005229202132707, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C + Total Standard Deviation in ln(k): 7.503166506393478"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 7.503166506393478""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C +Total Standard Deviation in ln(k): 7.503166506393478 +""", +) + +entry( + index = 5669, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.1973e-06,'m^3/(mol*s)'), n=3.66876, w0=(411,'kJ/mol'), E0=(38.3184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12990232961524248, var=27.039295411559504, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.750874345843838"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.750874345843838""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_N-8R!H-inRing_N-10R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.750874345843838 +""", +) + +entry( + index = 5670, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.91743e-05,'m^3/(mol*s)'), n=3.12234, w0=(411,'kJ/mol'), E0=(19.9412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11459936751007657, var=31.776972318605992, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_Ext-1C-R + Total Standard Deviation in ln(k): 11.588843711869892"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.588843711869892""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_Sp-9S-1C_N-Sp-10R!H#8R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.588843711869892 +""", +) + +entry( + index = 5671, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C", + kinetics = ArrheniusBM(A=(0.044998,'m^3/(mol*s)'), n=2.34952, w0=(411,'kJ/mol'), E0=(11.6952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1936070161458422, var=21.81334168684026, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C + Total Standard Deviation in ln(k): 9.849515914669071"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C +Total Standard Deviation in ln(k): 9.849515914669071""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C +Total Standard Deviation in ln(k): 9.849515914669071 +""", +) + +entry( + index = 5672, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(1.23529e+06,'m^3/(mol*s)'), n=0.176656, w0=(411,'kJ/mol'), E0=(1.1719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39328317823974857, var=24.226681849420853, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 10.855576491533862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 10.855576491533862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 10.855576491533862 +""", +) + +entry( + index = 5673, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(2.74257e-09,'m^3/(mol*s)'), n=4.45833, w0=(411,'kJ/mol'), E0=(24.3349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08206505270573866, var=62.96042944286603, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 16.11328696811061"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 16.11328696811061""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_9R!H->S_N-Sp-9S-1C_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 16.11328696811061 +""", +) + +entry( + index = 5674, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S", + kinetics = ArrheniusBM(A=(5.92856e-05,'m^3/(mol*s)'), n=3.25838, w0=(411,'kJ/mol'), E0=(0.242216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18924336650806012, var=4.042697119934693, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S + Total Standard Deviation in ln(k): 4.5062983015487195"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S +Total Standard Deviation in ln(k): 4.5062983015487195""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S +Total Standard Deviation in ln(k): 4.5062983015487195 +""", +) + +entry( + index = 5675, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S", + kinetics = ArrheniusBM(A=(31.8961,'m^3/(mol*s)'), n=1.59224, w0=(411,'kJ/mol'), E0=(70.0532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32216513668592794, var=30.49106590654848, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S + Total Standard Deviation in ln(k): 11.879349820860446"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S +Total Standard Deviation in ln(k): 11.879349820860446""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S +Total Standard Deviation in ln(k): 11.879349820860446 +""", +) + +entry( + index = 5676, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C", + kinetics = ArrheniusBM(A=(320.588,'m^3/(mol*s)'), n=1.27156, w0=(411,'kJ/mol'), E0=(69.4382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6029950074644264, var=42.71918227928025, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C + Total Standard Deviation in ln(k): 14.6179938583376"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C +Total Standard Deviation in ln(k): 14.6179938583376""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C +Total Standard Deviation in ln(k): 14.6179938583376 +""", +) + +entry( + index = 5677, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.3204e-07,'m^3/(mol*s)'), n=4.01967, w0=(411,'kJ/mol'), E0=(51.8678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2466295907959404, var=204.76164232671144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C_Ext-1C-R + Total Standard Deviation in ln(k): 29.306418566760122"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C_Ext-1C-R +Total Standard Deviation in ln(k): 29.306418566760122""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_Sp-9CCl-1C_Ext-1C-R +Total Standard Deviation in ln(k): 29.306418566760122 +""", +) + +entry( + index = 5678, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_N-Sp-9CCl-1C", + kinetics = ArrheniusBM(A=(1.30271e-08,'m^3/(mol*s)'), n=4.34935, w0=(411,'kJ/mol'), E0=(52.8099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012954187134008832, var=162.94605659300285, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_N-Sp-9CCl-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_N-Sp-9CCl-1C + Total Standard Deviation in ln(k): 25.623056772306565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_N-Sp-9CCl-1C +Total Standard Deviation in ln(k): 25.623056772306565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_10R!H->S_N-Sp-9CCl-1C +Total Standard Deviation in ln(k): 25.623056772306565 +""", +) + +entry( + index = 5679, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H", + kinetics = ArrheniusBM(A=(8.62e-10,'m^3/(mol*s)'), n=4.56973, w0=(411,'kJ/mol'), E0=(0.986569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5227111698398549, var=1.8994473676140868, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H + Total Standard Deviation in ln(k): 4.076279351926645"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H +Total Standard Deviation in ln(k): 4.076279351926645""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H +Total Standard Deviation in ln(k): 4.076279351926645 +""", +) + +entry( + index = 5680, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing", + kinetics = ArrheniusBM(A=(2.95297e-07,'m^3/(mol*s)'), n=3.84598, w0=(411,'kJ/mol'), E0=(8.61291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04586674375275829, var=0.5591159047766324, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing + Total Standard Deviation in ln(k): 1.6142647501647864"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing +Total Standard Deviation in ln(k): 1.6142647501647864""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing +Total Standard Deviation in ln(k): 1.6142647501647864 +""", +) + +entry( + index = 5681, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.41429e-06,'m^3/(mol*s)'), n=3.66007, w0=(411,'kJ/mol'), E0=(10.745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09662636723764347, var=0.17572925723574548, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.0831662375218445"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.0831662375218445""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.0831662375218445 +""", +) + +entry( + index = 5682, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C", + kinetics = ArrheniusBM(A=(4.43631e-07,'m^3/(mol*s)'), n=3.79445, w0=(411,'kJ/mol'), E0=(10.1613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09879371754607849, var=0.003646391880178259, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C + Total Standard Deviation in ln(k): 0.36928207327532014"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C +Total Standard Deviation in ln(k): 0.36928207327532014""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C +Total Standard Deviation in ln(k): 0.36928207327532014 +""", +) + +entry( + index = 5683, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.25706e-05,'m^3/(mol*s)'), n=3.31536, w0=(411,'kJ/mol'), E0=(10.256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Int-12R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5684, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-12R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.84402e-07,'m^3/(mol*s)'), n=3.75335, w0=(411,'kJ/mol'), E0=(11.1451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-12R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-12R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5685, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.01276e-06,'m^3/(mol*s)'), n=3.51002, w0=(411,'kJ/mol'), E0=(2.18089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_1C-inRing_Ext-10R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5686, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_N-1C-inRing", + kinetics = ArrheniusBM(A=(4.54285e-09,'m^3/(mol*s)'), n=4.36235, w0=(411,'kJ/mol'), E0=(28.3465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_N-1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_N-1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_Sp-10R!H-8R!H_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5687, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H", + kinetics = ArrheniusBM(A=(0.026497,'m^3/(mol*s)'), n=2.48831, w0=(411,'kJ/mol'), E0=(5.91733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08993727726243202, var=4.296382321424083, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H + Total Standard Deviation in ln(k): 4.381331096684081"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H +Total Standard Deviation in ln(k): 4.381331096684081""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H +Total Standard Deviation in ln(k): 4.381331096684081 +""", +) + +entry( + index = 5688, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0", + kinetics = ArrheniusBM(A=(9.46759e-05,'m^3/(mol*s)'), n=3.10536, w0=(411,'kJ/mol'), E0=(-2.88236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006646057631554242, var=5.296929955585972, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0 + Total Standard Deviation in ln(k): 4.630608484428635"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0 +Total Standard Deviation in ln(k): 4.630608484428635""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0 +Total Standard Deviation in ln(k): 4.630608484428635 +""", +) + +entry( + index = 5689, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_10R!H-u1", + kinetics = ArrheniusBM(A=(0.000244,'m^3/(mol*s)'), n=2.9, w0=(411,'kJ/mol'), E0=(-11.6566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_10R!H-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_10R!H-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_10R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_10R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5690, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1", + kinetics = ArrheniusBM(A=(0.0150984,'m^3/(mol*s)'), n=2.54194, w0=(411,'kJ/mol'), E0=(13.3243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17601769549326318, var=10.63626163824978, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1 + Total Standard Deviation in ln(k): 6.980354560864249"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1 +Total Standard Deviation in ln(k): 6.980354560864249""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1 +Total Standard Deviation in ln(k): 6.980354560864249 +""", +) + +entry( + index = 5691, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing", + kinetics = ArrheniusBM(A=(8.09195e-07,'m^3/(mol*s)'), n=3.70356, w0=(411,'kJ/mol'), E0=(0.286069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.2960337139627054, var=11.146431283595717, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing + Total Standard Deviation in ln(k): 12.46199189857213"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing +Total Standard Deviation in ln(k): 12.46199189857213""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing +Total Standard Deviation in ln(k): 12.46199189857213 +""", +) + +entry( + index = 5692, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0", + kinetics = ArrheniusBM(A=(6.60807e-12,'m^3/(mol*s)'), n=5.14884, w0=(411,'kJ/mol'), E0=(5.83158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.049058056619768954, var=7.358487044504695, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0 + Total Standard Deviation in ln(k): 5.561412346385793"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0 +Total Standard Deviation in ln(k): 5.561412346385793""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0 +Total Standard Deviation in ln(k): 5.561412346385793 +""", +) + +entry( + index = 5693, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_1C-inRing", + kinetics = ArrheniusBM(A=(1.44e-08,'m^3/(mol*s)'), n=4.34, w0=(411,'kJ/mol'), E0=(22.1752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.1641356201820006e-15, var=1.1985817008460044e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_1C-inRing + Total Standard Deviation in ln(k): 7.735509785613671e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_1C-inRing +Total Standard Deviation in ln(k): 7.735509785613671e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_1C-inRing +Total Standard Deviation in ln(k): 7.735509785613671e-14 +""", +) + +entry( + index = 5694, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing", + kinetics = ArrheniusBM(A=(2.93994e-10,'m^3/(mol*s)'), n=4.60277, w0=(411,'kJ/mol'), E0=(19.6496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012373380676478682, var=12.463566131331008, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing + Total Standard Deviation in ln(k): 7.108560745029594"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing +Total Standard Deviation in ln(k): 7.108560745029594""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing +Total Standard Deviation in ln(k): 7.108560745029594 +""", +) + +entry( + index = 5695, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.04652e-10,'m^3/(mol*s)'), n=4.40822, w0=(411,'kJ/mol'), E0=(23.7943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02787892441456867, var=62.12599775812967, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 15.871378808746707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 15.871378808746707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_11R!H-u0_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 15.871378808746707 +""", +) + +entry( + index = 5696, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_N-11R!H-u0", + kinetics = ArrheniusBM(A=(7.83e-05,'m^3/(mol*s)'), n=3.13, w0=(411,'kJ/mol'), E0=(4.53718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_N-11R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_N-11R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_N-11R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_8R!H-inRing_Ext-10R!H-R_N-11R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5697, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.56456e-06,'m^3/(mol*s)'), n=3.94701, w0=(411,'kJ/mol'), E0=(2.76939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.298554422684689, var=35.42838825289234, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing + Total Standard Deviation in ln(k): 17.707796549996395"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing +Total Standard Deviation in ln(k): 17.707796549996395""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing +Total Standard Deviation in ln(k): 17.707796549996395 +""", +) + +entry( + index = 5698, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.94696e-05,'m^3/(mol*s)'), n=2.9793, w0=(411,'kJ/mol'), E0=(20.632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12767429642469466, var=21.142142572201355, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 9.538678983774176"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.538678983774176""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 9.538678983774176 +""", +) + +entry( + index = 5699, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(2.55001e-05,'m^3/(mol*s)'), n=3.01993, w0=(411,'kJ/mol'), E0=(22.5474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11756723718290435, var=40.347456101026694, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 13.029401599705189"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 13.029401599705189""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 13.029401599705189 +""", +) + +entry( + index = 5700, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H_Ext-9CCl-R", + kinetics = ArrheniusBM(A=(1.92613e-05,'m^3/(mol*s)'), n=3.12361, w0=(411,'kJ/mol'), E0=(24.7573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16469363162514677, var=129.29800977035916, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H_Ext-9CCl-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H_Ext-9CCl-R + Total Standard Deviation in ln(k): 23.209501864245464"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H_Ext-9CCl-R +Total Standard Deviation in ln(k): 23.209501864245464""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_Sp-10R!H=8R!H_Ext-9CCl-R +Total Standard Deviation in ln(k): 23.209501864245464 +""", +) + +entry( + index = 5701, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000189255,'m^3/(mol*s)'), n=2.93867, w0=(411,'kJ/mol'), E0=(18.7165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13778128926967306, var=25.00438848888263, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 10.370739268018825"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 10.370739268018825""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 10.370739268018825 +""", +) + +entry( + index = 5702, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H_Ext-9CCl-R", + kinetics = ArrheniusBM(A=(0.00090692,'m^3/(mol*s)'), n=2.71304, w0=(411,'kJ/mol'), E0=(18.3276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1563621404367706, var=108.34235175343747, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H_Ext-9CCl-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H_Ext-9CCl-R + Total Standard Deviation in ln(k): 21.25968243741643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H_Ext-9CCl-R +Total Standard Deviation in ln(k): 21.25968243741643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-1C-R_N-Sp-10R!H=8R!H_Ext-9CCl-R +Total Standard Deviation in ln(k): 21.25968243741643 +""", +) + +entry( + index = 5703, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R", + kinetics = ArrheniusBM(A=(1.58545e-05,'m^3/(mol*s)'), n=3.35322, w0=(411,'kJ/mol'), E0=(25.1163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10212308958988271, var=19.982060795622445, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R + Total Standard Deviation in ln(k): 9.218016770170653"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R +Total Standard Deviation in ln(k): 9.218016770170653""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R +Total Standard Deviation in ln(k): 9.218016770170653 +""", +) + +entry( + index = 5704, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(3.60265e-06,'m^3/(mol*s)'), n=3.46279, w0=(411,'kJ/mol'), E0=(32.0226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1524865246610752, var=97.39946625143006, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 20.16809658705724"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 20.16809658705724""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 20.16809658705724 +""", +) + +entry( + index = 5705, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(6.97725e-05,'m^3/(mol*s)'), n=3.24364, w0=(411,'kJ/mol'), E0=(18.2101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14370870285736012, var=30.472798407135, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.427650284231017"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.427650284231017""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Ext-9CCl-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.427650284231017 +""", +) + +entry( + index = 5706, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(1.28895e-06,'m^3/(mol*s)'), n=4.15402, w0=(411,'kJ/mol'), E0=(0.194823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.808189267945844, var=59.912825380296894, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 27.59820375401907"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 27.59820375401907""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 27.59820375401907 +""", +) + +entry( + index = 5707, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_Sp-9CCl-1C", + kinetics = ArrheniusBM(A=(3.46622e-08,'m^3/(mol*s)'), n=4.07966, w0=(411,'kJ/mol'), E0=(25.5216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06892961428090495, var=58.00429379888374, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_Sp-9CCl-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_Sp-9CCl-1C + Total Standard Deviation in ln(k): 15.441362600212852"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_Sp-9CCl-1C +Total Standard Deviation in ln(k): 15.441362600212852""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_Sp-9CCl-1C +Total Standard Deviation in ln(k): 15.441362600212852 +""", +) + +entry( + index = 5708, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_N-Sp-9CCl-1C", + kinetics = ArrheniusBM(A=(0.00377065,'m^3/(mol*s)'), n=3.19234, w0=(411,'kJ/mol'), E0=(26.383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.32817107736047, var=70.8399561832111, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_N-Sp-9CCl-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_N-Sp-9CCl-1C + Total Standard Deviation in ln(k): 30.260513117620903"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_N-Sp-9CCl-1C +Total Standard Deviation in ln(k): 30.260513117620903""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_Sp-10R!H=8R!H_N-Sp-9CCl-1C +Total Standard Deviation in ln(k): 30.260513117620903 +""", +) + +entry( + index = 5709, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(7.33181e-10,'m^3/(mol*s)'), n=4.58102, w0=(411,'kJ/mol'), E0=(15.7082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30328345783439203, var=15.975359358256815, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 8.774781923828847"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 8.774781923828847""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 8.774781923828847 +""", +) + +entry( + index = 5710, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_Sp-9CCl-1C", + kinetics = ArrheniusBM(A=(3.52143e-09,'m^3/(mol*s)'), n=4.39533, w0=(411,'kJ/mol'), E0=(32.6464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07250321008031636, var=68.8682699789456, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_Sp-9CCl-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_Sp-9CCl-1C + Total Standard Deviation in ln(k): 16.81884553172382"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_Sp-9CCl-1C +Total Standard Deviation in ln(k): 16.81884553172382""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_Sp-9CCl-1C +Total Standard Deviation in ln(k): 16.81884553172382 +""", +) + +entry( + index = 5711, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_N-Sp-9CCl-1C", + kinetics = ArrheniusBM(A=(5.61623e-10,'m^3/(mol*s)'), n=4.60461, w0=(411,'kJ/mol'), E0=(13.5222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0249335295858992, var=25.76574138665734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_N-Sp-9CCl-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_N-Sp-9CCl-1C + Total Standard Deviation in ln(k): 10.238675476947652"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_N-Sp-9CCl-1C +Total Standard Deviation in ln(k): 10.238675476947652""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_6R!H-u0_N-10R!H-u1_N-8R!H-inRing_N-Sp-10R!H=8R!H_N-Sp-9CCl-1C +Total Standard Deviation in ln(k): 10.238675476947652 +""", +) + +entry( + index = 5712, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_N-6R!H-u0", + kinetics = ArrheniusBM(A=(4.50021e-05,'m^3/(mol*s)'), n=3.47459, w0=(411,'kJ/mol'), E0=(2.90771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_Ext-8R!H-R_N-9R!H->S_N-Sp-10R!H-8R!H_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5713, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl", + kinetics = ArrheniusBM(A=(2.92611e-08,'m^3/(mol*s)'), n=4.15822, w0=(411,'kJ/mol'), E0=(11.0346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07036794424670184, var=0.6304883430189934, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl + Total Standard Deviation in ln(k): 1.7686296093696983"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl +Total Standard Deviation in ln(k): 1.7686296093696983""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl +Total Standard Deviation in ln(k): 1.7686296093696983 +""", +) + +entry( + index = 5714, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00021994,'m^3/(mol*s)'), n=2.80132, w0=(411,'kJ/mol'), E0=(21.1113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5715, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_9R!H->C", + kinetics = ArrheniusBM(A=(1.35377e-08,'m^3/(mol*s)'), n=4.39392, w0=(411,'kJ/mol'), E0=(29.0708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5716, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.98399e-08,'m^3/(mol*s)'), n=4.26237, w0=(411,'kJ/mol'), E0=(27.5854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_8R!H->Cl_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5717, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(1.35035e-09,'m^3/(mol*s)'), n=4.58822, w0=(411,'kJ/mol'), E0=(16.7124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4214383106637214, var=2.977907243262865, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl + Total Standard Deviation in ln(k): 4.518384154034051"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.518384154034051""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl +Total Standard Deviation in ln(k): 4.518384154034051 +""", +) + +entry( + index = 5718, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.47023e-06,'m^3/(mol*s)'), n=3.41754, w0=(411,'kJ/mol'), E0=(12.8772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06448424955690546, var=5.436858231188166, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 4.836475840411496"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 4.836475840411496""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 4.836475840411496 +""", +) + +entry( + index = 5719, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_8CS->S", + kinetics = ArrheniusBM(A=(8.01278e-06,'m^3/(mol*s)'), n=3.36949, w0=(411,'kJ/mol'), E0=(13.6349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13028456937794208, var=7.509799047568752, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_8CS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_8CS->S + Total Standard Deviation in ln(k): 5.821126689651245"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_8CS->S +Total Standard Deviation in ln(k): 5.821126689651245""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_8CS->S +Total Standard Deviation in ln(k): 5.821126689651245 +""", +) + +entry( + index = 5720, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_N-8CS->S", + kinetics = ArrheniusBM(A=(5.22464e-06,'m^3/(mol*s)'), n=3.46559, w0=(411,'kJ/mol'), E0=(12.1196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1213141057480198, var=28.704123997394102, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_N-8CS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_N-8CS->S + Total Standard Deviation in ln(k): 11.045424030677303"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_N-8CS->S +Total Standard Deviation in ln(k): 11.045424030677303""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Ext-1C-R_N-8CS->S +Total Standard Deviation in ln(k): 11.045424030677303 +""", +) + +entry( + index = 5721, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C", + kinetics = ArrheniusBM(A=(2.28421e-07,'m^3/(mol*s)'), n=3.97817, w0=(411,'kJ/mol'), E0=(24.0833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.258983399789289, var=1.7034847457679407, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C + Total Standard Deviation in ln(k): 3.267244441623171"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C +Total Standard Deviation in ln(k): 3.267244441623171""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C +Total Standard Deviation in ln(k): 3.267244441623171 +""", +) + +entry( + index = 5722, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C", + kinetics = ArrheniusBM(A=(4.03711e-08,'m^3/(mol*s)'), n=4.20364, w0=(411,'kJ/mol'), E0=(22.7547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3724498877044029, var=1.1248384775511366, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C + Total Standard Deviation in ln(k): 3.0619937386678053"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C +Total Standard Deviation in ln(k): 3.0619937386678053""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C +Total Standard Deviation in ln(k): 3.0619937386678053 +""", +) + +entry( + index = 5723, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_9R!H->C", + kinetics = ArrheniusBM(A=(5.48695e-08,'m^3/(mol*s)'), n=4.16747, w0=(411,'kJ/mol'), E0=(23.2163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7462019795308711, var=2.4816338561692044, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_9R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_9R!H->C + Total Standard Deviation in ln(k): 5.0329790872946845"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_9R!H->C +Total Standard Deviation in ln(k): 5.0329790872946845""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_9R!H->C +Total Standard Deviation in ln(k): 5.0329790872946845 +""", +) + +entry( + index = 5724, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.19665e-10,'m^3/(mol*s)'), n=4.81874, w0=(411,'kJ/mol'), E0=(13.1378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0911267381501627, var=3.343812609540542, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_N-9R!H->C + Total Standard Deviation in ln(k): 3.8948392096504576"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_N-9R!H->C +Total Standard Deviation in ln(k): 3.8948392096504576""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_8CS->C_N-9R!H->C +Total Standard Deviation in ln(k): 3.8948392096504576 +""", +) + +entry( + index = 5725, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C", + kinetics = ArrheniusBM(A=(1.76123e-05,'m^3/(mol*s)'), n=3.35075, w0=(411,'kJ/mol'), E0=(12.138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09850048711896416, var=6.324023228747983, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C + Total Standard Deviation in ln(k): 5.288918385235989"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C +Total Standard Deviation in ln(k): 5.288918385235989""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C +Total Standard Deviation in ln(k): 5.288918385235989 +""", +) + +entry( + index = 5726, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_9R!H->C", + kinetics = ArrheniusBM(A=(4.30702e-05,'m^3/(mol*s)'), n=3.22537, w0=(411,'kJ/mol'), E0=(11.0533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10392514271723229, var=15.57816023998373, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_9R!H->C + Total Standard Deviation in ln(k): 8.173643040771838"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_9R!H->C +Total Standard Deviation in ln(k): 8.173643040771838""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_9R!H->C +Total Standard Deviation in ln(k): 8.173643040771838 +""", +) + +entry( + index = 5727, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_N-9R!H->C", + kinetics = ArrheniusBM(A=(7.20201e-06,'m^3/(mol*s)'), n=3.47612, w0=(411,'kJ/mol'), E0=(13.2228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10213926320779776, var=28.52535246291448, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_N-9R!H->C + Total Standard Deviation in ln(k): 10.963747099144932"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_N-9R!H->C +Total Standard Deviation in ln(k): 10.963747099144932""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_Sp-8CCSS=1C_N-8CS->C_N-9R!H->C +Total Standard Deviation in ln(k): 10.963747099144932 +""", +) + +entry( + index = 5728, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C", + kinetics = ArrheniusBM(A=(1.48016e-10,'m^3/(mol*s)'), n=4.70008, w0=(411,'kJ/mol'), E0=(14.3919,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.059935793017658286, var=16.272745536913384, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C + Total Standard Deviation in ln(k): 8.237591754544507"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C +Total Standard Deviation in ln(k): 8.237591754544507""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C +Total Standard Deviation in ln(k): 8.237591754544507 +""", +) + +entry( + index = 5729, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_8CS->S", + kinetics = ArrheniusBM(A=(7.89982e-10,'m^3/(mol*s)'), n=4.47922, w0=(411,'kJ/mol'), E0=(25.7452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04414005570766292, var=50.612152251801255, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_8CS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_8CS->S + Total Standard Deviation in ln(k): 14.373034714300331"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_8CS->S +Total Standard Deviation in ln(k): 14.373034714300331""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_8CS->S +Total Standard Deviation in ln(k): 14.373034714300331 +""", +) + +entry( + index = 5730, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_N-8CS->S", + kinetics = ArrheniusBM(A=(5.52097e-09,'m^3/(mol*s)'), n=4.26225, w0=(411,'kJ/mol'), E0=(24.9116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04929322960322762, var=45.307236183543814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_N-8CS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_N-8CS->S + Total Standard Deviation in ln(k): 13.617854471642504"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_N-8CS->S +Total Standard Deviation in ln(k): 13.617854471642504""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Ext-1C-R_N-8R!H->Cl_N-Sp-8CCSS=1C_N-8CS->S +Total Standard Deviation in ln(k): 13.617854471642504 +""", +) + +entry( + index = 5731, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(1.47683,'m^3/(mol*s)'), n=1.79085, w0=(411,'kJ/mol'), E0=(53.6764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36081198851886737, var=5.452665948939734, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 5.587808477434187"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.587808477434187""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.587808477434187 +""", +) + +entry( + index = 5732, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.08945e-12,'m^3/(mol*s)'), n=5.30639, w0=(411,'kJ/mol'), E0=(20.7114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6312896801191976, var=5.858953832461323, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.438671548312395"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.438671548312395""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.438671548312395 +""", +) + +entry( + index = 5733, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl", + kinetics = ArrheniusBM(A=(1.5125e-07,'m^3/(mol*s)'), n=4.1139, w0=(411,'kJ/mol'), E0=(36.5953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09330844187328842, var=7.353976437080537, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl + Total Standard Deviation in ln(k): 5.670927223763337"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl +Total Standard Deviation in ln(k): 5.670927223763337""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl +Total Standard Deviation in ln(k): 5.670927223763337 +""", +) + +entry( + index = 5734, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.23302e-09,'m^3/(mol*s)'), n=4.5789, w0=(411,'kJ/mol'), E0=(30.8523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_9R!H->Cl_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5735, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl", + kinetics = ArrheniusBM(A=(0.00011329,'m^3/(mol*s)'), n=3.21268, w0=(411,'kJ/mol'), E0=(54.3857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.895057988715581, var=16.000720259223804, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl + Total Standard Deviation in ln(k): 12.780573031615393"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl +Total Standard Deviation in ln(k): 12.780573031615393""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl +Total Standard Deviation in ln(k): 12.780573031615393 +""", +) + +entry( + index = 5736, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_8R!H-inRing", + kinetics = ArrheniusBM(A=(1.10678e-10,'m^3/(mol*s)'), n=4.82191, w0=(411,'kJ/mol'), E0=(49.186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09676197542271625, var=29.42134784026688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_8R!H-inRing + Total Standard Deviation in ln(k): 11.11709407682605"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_8R!H-inRing +Total Standard Deviation in ln(k): 11.11709407682605""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_8R!H-inRing +Total Standard Deviation in ln(k): 11.11709407682605 +""", +) + +entry( + index = 5737, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(5.29682e-05,'m^3/(mol*s)'), n=3.31331, w0=(411,'kJ/mol'), E0=(52.6017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.027181892973558, var=17.36386564047543, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing + Total Standard Deviation in ln(k): 13.447147290032104"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing +Total Standard Deviation in ln(k): 13.447147290032104""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing +Total Standard Deviation in ln(k): 13.447147290032104 +""", +) + +entry( + index = 5738, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H", + kinetics = ArrheniusBM(A=(4.92355e-06,'m^3/(mol*s)'), n=3.61259, w0=(411,'kJ/mol'), E0=(48.3387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.158445346227711, var=18.337107350924185, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H + Total Standard Deviation in ln(k): 14.007875750993204"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H +Total Standard Deviation in ln(k): 14.007875750993204""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H +Total Standard Deviation in ln(k): 14.007875750993204 +""", +) + +entry( + index = 5739, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_9BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(1.66105e-07,'m^3/(mol*s)'), n=4.04358, w0=(411,'kJ/mol'), E0=(42.9089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.855699906111109, var=24.131055029264665, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_9BrCFINOPSSi->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_9BrCFINOPSSi->C + Total Standard Deviation in ln(k): 17.023059734581576"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_9BrCFINOPSSi->C +Total Standard Deviation in ln(k): 17.023059734581576""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_9BrCFINOPSSi->C +Total Standard Deviation in ln(k): 17.023059734581576 +""", +) + +entry( + index = 5740, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_N-9BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(5.43143e-10,'m^3/(mol*s)'), n=4.5918, w0=(411,'kJ/mol'), E0=(37.6043,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.044352373090584186, var=95.67561428518894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_N-9BrCFINOPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_N-9BrCFINOPSSi->C + Total Standard Deviation in ln(k): 19.72053621665601"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_N-9BrCFINOPSSi->C +Total Standard Deviation in ln(k): 19.72053621665601""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H_N-9BrCFINOPSSi->C +Total Standard Deviation in ln(k): 19.72053621665601 +""", +) + +entry( + index = 5741, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_N-Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H", + kinetics = ArrheniusBM(A=(8.63817e-10,'m^3/(mol*s)'), n=4.62009, w0=(411,'kJ/mol'), E0=(51.9849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029433699695847904, var=108.2939090046304, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_N-Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_N-Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H + Total Standard Deviation in ln(k): 20.93610118192482"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_N-Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H +Total Standard Deviation in ln(k): 20.93610118192482""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_N-9R!H->Cl_N-8R!H-inRing_N-Sp-9BrBrCCFFIINNOOPPSSSiSi=8R!H +Total Standard Deviation in ln(k): 20.93610118192482 +""", +) + +entry( + index = 5742, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_8R!H->C", + kinetics = ArrheniusBM(A=(0.362871,'m^3/(mol*s)'), n=1.69637, w0=(411,'kJ/mol'), E0=(44.2247,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09377646983840097, var=0.5520870393826264, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_8R!H->C + Total Standard Deviation in ln(k): 1.7251887507971608"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 1.7251887507971608""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 1.7251887507971608 +""", +) + +entry( + index = 5743, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.83148e-12,'m^3/(mol*s)'), n=5.11646, w0=(411,'kJ/mol'), E0=(12.4427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.221151616630154, var=21.069837664168375, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C + Total Standard Deviation in ln(k): 9.757770797996331"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 9.757770797996331""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 9.757770797996331 +""", +) + +entry( + index = 5744, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_8ClS->S", + kinetics = ArrheniusBM(A=(9.17824e-11,'m^3/(mol*s)'), n=4.73907, w0=(411,'kJ/mol'), E0=(42.0559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07086603170029951, var=62.10955484081805, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_8ClS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_8ClS->S + Total Standard Deviation in ln(k): 15.977295404695719"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_8ClS->S +Total Standard Deviation in ln(k): 15.977295404695719""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_8ClS->S +Total Standard Deviation in ln(k): 15.977295404695719 +""", +) + +entry( + index = 5745, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_N-8ClS->S", + kinetics = ArrheniusBM(A=(0.0236833,'m^3/(mol*s)'), n=2, w0=(411,'kJ/mol'), E0=(26.2605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_N-8ClS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_N-8ClS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_N-8ClS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_Sp-8R!H-1C_N-8R!H->C_N-8ClS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5746, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(5.72002e-13,'m^3/(mol*s)'), n=5.84258, w0=(411,'kJ/mol'), E0=(0.922124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4269613286126657, var=70.051143767183, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 17.851710390776677"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 17.851710390776677""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 17.851710390776677 +""", +) + +entry( + index = 5747, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.8278e-13,'m^3/(mol*s)'), n=5.85704, w0=(411,'kJ/mol'), E0=(0.533446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2659196537821375, var=88.1823213763171, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 19.493693294370132"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 19.493693294370132""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 19.493693294370132 +""", +) + +entry( + index = 5748, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0316,'m^3/(mol*s)'), n=3.11, w0=(411,'kJ/mol'), E0=(18.9812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5749, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H-8R!H", + kinetics = ArrheniusBM(A=(5.51e-09,'m^3/(mol*s)'), n=4.401, w0=(411,'kJ/mol'), E0=(22.9889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H-8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H-8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H-8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_Sp-9R!H-8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5750, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H-8R!H", + kinetics = ArrheniusBM(A=(3.93441e-09,'m^3/(mol*s)'), n=4.57955, w0=(411,'kJ/mol'), E0=(34.2671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013984195239063794, var=45.46098177073602, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H-8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H-8R!H + Total Standard Deviation in ln(k): 13.552014189775983"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H-8R!H +Total Standard Deviation in ln(k): 13.552014189775983""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_Ext-8R!H-R_N-Sp-9R!H-8R!H +Total Standard Deviation in ln(k): 13.552014189775983 +""", +) + +entry( + index = 5751, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C", + kinetics = ArrheniusBM(A=(1.90347e-09,'m^3/(mol*s)'), n=4.57407, w0=(411,'kJ/mol'), E0=(23.0929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16402636171228438, var=4.177060616367953, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C + Total Standard Deviation in ln(k): 4.509375728846125"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 4.509375728846125""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_8R!H->C +Total Standard Deviation in ln(k): 4.509375728846125 +""", +) + +entry( + index = 5752, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C", + kinetics = ArrheniusBM(A=(4.04818e-09,'m^3/(mol*s)'), n=4.45611, w0=(411,'kJ/mol'), E0=(18.3534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05480617153869853, var=56.70150661225666, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C + Total Standard Deviation in ln(k): 15.233439831275675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 15.233439831275675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-1C-R_N-Sp-8R!H-1C_N-8R!H->C +Total Standard Deviation in ln(k): 15.233439831275675 +""", +) + +entry( + index = 5753, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.31447,'m^3/(mol*s)'), n=1.95603, w0=(411,'kJ/mol'), E0=(37.3316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_1CH->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5754, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C", + kinetics = ArrheniusBM(A=(73.3467,'m^3/(mol*s)'), n=1.32202, w0=(421.5,'kJ/mol'), E0=(35.0729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12312630656593455, var=1.6943716434287501, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C + Total Standard Deviation in ln(k): 2.918886767092487"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C +Total Standard Deviation in ln(k): 2.918886767092487""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C +Total Standard Deviation in ln(k): 2.918886767092487 +""", +) + +entry( + index = 5755, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(38.4011,'m^3/(mol*s)'), n=1.25637, w0=(421.5,'kJ/mol'), E0=(7.46835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_Sp-8R!H-7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5756, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(0.433059,'m^3/(mol*s)'), n=2.04939, w0=(421.5,'kJ/mol'), E0=(39.7667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05115301190815715, var=0.5932053237876744, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 1.6725685771711438"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 1.6725685771711438""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 1.6725685771711438 +""", +) + +entry( + index = 5757, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.46445,'m^3/(mol*s)'), n=1.88582, w0=(421.5,'kJ/mol'), E0=(40.0014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.021515907813075528, var=2.113183283373659, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.968301799503578"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.968301799503578""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.968301799503578 +""", +) + +entry( + index = 5758, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_Sp-4R!H-=3C", + kinetics = ArrheniusBM(A=(0.728047,'m^3/(mol*s)'), n=1.97356, w0=(421.5,'kJ/mol'), E0=(38.9485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002635286702788735, var=2.108894834181547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_Sp-4R!H-=3C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_Sp-4R!H-=3C + Total Standard Deviation in ln(k): 2.9179045011482567"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_Sp-4R!H-=3C +Total Standard Deviation in ln(k): 2.9179045011482567""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_Sp-4R!H-=3C +Total Standard Deviation in ln(k): 2.9179045011482567 +""", +) + +entry( + index = 5759, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_N-Sp-4R!H-=3C", + kinetics = ArrheniusBM(A=(9.99654,'m^3/(mol*s)'), n=1.59805, w0=(421.5,'kJ/mol'), E0=(57.6888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_N-Sp-4R!H-=3C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_N-Sp-4R!H-=3C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_N-Sp-4R!H-=3C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_Ext-3C-R_N-Sp-4R!H-3C_N-1BrCClHINOPSSi->Cl_Ext-4R!H-R_N-5R!H-u1_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H-6R!H_N-1CH->C_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-3C-R_N-Sp-4R!H-=3C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5760, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(36026.5,'m^3/(mol*s)'), n=0.184236, w0=(419.5,'kJ/mol'), E0=(2.29901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11953519743655534, var=2.4433843328164904, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 3.4340069637895527"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 3.4340069637895527""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 3.4340069637895527 +""", +) + +entry( + index = 5761, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3386.83,'m^3/(mol*s)'), n=0.531252, w0=(419.5,'kJ/mol'), E0=(2.99384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10538473126279062, var=4.862013830940939, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 4.685221525267555"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.685221525267555""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.685221525267555 +""", +) + +entry( + index = 5762, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.64237e+08,'m^3/(mol*s)'), n=-0.841901, w0=(419.5,'kJ/mol'), E0=(17.9916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12787607420941682, var=9.949948115948478, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.6449404482682155"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.6449404482682155""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.6449404482682155 +""", +) + +entry( + index = 5763, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(86285.7,'m^3/(mol*s)'), n=-0.0125209, w0=(419.5,'kJ/mol'), E0=(6.26342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6899946603945958, var=1.0183353966591029, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.7566853273527476"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.7566853273527476""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.7566853273527476 +""", +) + +entry( + index = 5764, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_4R!H->O", + kinetics = ArrheniusBM(A=(594981,'m^3/(mol*s)'), n=-0.171083, w0=(419.5,'kJ/mol'), E0=(7.39848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5765, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-4R!H->O", + kinetics = ArrheniusBM(A=(35535.8,'m^3/(mol*s)'), n=0.0973423, w0=(419.5,'kJ/mol'), E0=(3.68444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5766, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl", + kinetics = ArrheniusBM(A=(3.74996e-19,'m^3/(mol*s)'), n=6.87596, w0=(411.42,'kJ/mol'), E0=(6.24187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35363778969202914, var=6.751915810649222, Tref=1000.0, N=150, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl',), comment="""BM rule fitted to 150 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl + Total Standard Deviation in ln(k): 6.09773076391035"""), + rank = 11, + shortDesc = """BM rule fitted to 150 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 6.09773076391035""", + longDesc = +""" +BM rule fitted to 150 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl +Total Standard Deviation in ln(k): 6.09773076391035 +""", +) + +entry( + index = 5767, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.48851e-19,'m^3/(mol*s)'), n=6.81099, w0=(411.42,'kJ/mol'), E0=(0.16025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3167713414201842, var=7.995337627455843, Tref=1000.0, N=50, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 50 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 6.464502422772"""), + rank = 11, + shortDesc = """BM rule fitted to 50 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.464502422772""", + longDesc = +""" +BM rule fitted to 50 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.464502422772 +""", +) + +entry( + index = 5768, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.1263e-16,'m^3/(mol*s)'), n=6.03643, w0=(411.42,'kJ/mol'), E0=(24.8897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4042421100798505, var=9.442171630611854, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 7.175857058009174"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.175857058009174""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.175857058009174 +""", +) + +entry( + index = 5769, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(8.50654e-16,'m^3/(mol*s)'), n=5.77358, w0=(411,'kJ/mol'), E0=(28.5818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3894329761763224, var=8.837792015042956, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 6.938236280266236"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 6.938236280266236""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 6.938236280266236 +""", +) + +entry( + index = 5770, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.98867e-15,'m^3/(mol*s)'), n=5.65165, w0=(411,'kJ/mol'), E0=(29.2414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3708023541156705, var=9.112550536816883, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.983358265638293"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.983358265638293""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.983358265638293 +""", +) + +entry( + index = 5771, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C", + kinetics = ArrheniusBM(A=(6.02767e-05,'m^3/(mol*s)'), n=2.92613, w0=(411,'kJ/mol'), E0=(51.9249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24609974009547475, var=3.9010179446565822, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C + Total Standard Deviation in ln(k): 4.577892258711015"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C +Total Standard Deviation in ln(k): 4.577892258711015""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C +Total Standard Deviation in ln(k): 4.577892258711015 +""", +) + +entry( + index = 5772, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.0566e-08,'m^3/(mol*s)'), n=3.94922, w0=(411,'kJ/mol'), E0=(44.2827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.325885123057849, var=1.8728922707192264, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.562360055175375"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.562360055175375""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.562360055175375 +""", +) + +entry( + index = 5773, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(9.572e-13,'m^3/(mol*s)'), n=5.13135, w0=(411,'kJ/mol'), E0=(39.3924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3963969163094407, var=0.413525001938922, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 2.2851352796638924"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.2851352796638924""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.2851352796638924 +""", +) + +entry( + index = 5774, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.19602e-11,'m^3/(mol*s)'), n=4.85408, w0=(411,'kJ/mol'), E0=(45.9775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5775, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(7.58288e-14,'m^3/(mol*s)'), n=5.40988, w0=(411,'kJ/mol'), E0=(32.7334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5776, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C", + kinetics = ArrheniusBM(A=(8.86327e-18,'m^3/(mol*s)'), n=6.26679, w0=(411,'kJ/mol'), E0=(23.328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36893914653227455, var=8.360402620666603, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C + Total Standard Deviation in ln(k): 6.72354611937701"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C +Total Standard Deviation in ln(k): 6.72354611937701""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C +Total Standard Deviation in ln(k): 6.72354611937701 +""", +) + +entry( + index = 5777, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.3214e-14,'m^3/(mol*s)'), n=5.27584, w0=(411,'kJ/mol'), E0=(35.3606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33537115042357213, var=9.694913855127504, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R + Total Standard Deviation in ln(k): 7.084715853487151"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R +Total Standard Deviation in ln(k): 7.084715853487151""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R +Total Standard Deviation in ln(k): 7.084715853487151 +""", +) + +entry( + index = 5778, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.04301e-20,'m^3/(mol*s)'), n=6.7478, w0=(411,'kJ/mol'), E0=(21.3026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5130746045025457, var=9.240376807930136, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 7.383123475619625"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 7.383123475619625""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 7.383123475619625 +""", +) + +entry( + index = 5779, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.05772e-08,'m^3/(mol*s)'), n=3.24271, w0=(411,'kJ/mol'), E0=(58.298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004000893544688605, var=7.444125092145169, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + Total Standard Deviation in ln(k): 5.479756446903091"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.479756446903091""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.479756446903091 +""", +) + +entry( + index = 5780, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.83558e-12,'m^3/(mol*s)'), n=4.22714, w0=(411,'kJ/mol'), E0=(47.038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.102300965580286, var=0.6387287201689089, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 1.8592320100398936"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.8592320100398936""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.8592320100398936 +""", +) + +entry( + index = 5781, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.327e-14,'m^3/(mol*s)'), n=4.97613, w0=(411,'kJ/mol'), E0=(47.4122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5782, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.84189e-11,'m^3/(mol*s)'), n=4.46488, w0=(411,'kJ/mol'), E0=(48.2787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045467096707001615, var=3.432156041065259, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 3.82822698360607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 3.82822698360607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 3.82822698360607 +""", +) + +entry( + index = 5783, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(1.55231e-06,'m^3/(mol*s)'), n=3.10575, w0=(411,'kJ/mol'), E0=(53.1554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3471700325750402, var=12.44903066410372, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 7.945630155476895"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 7.945630155476895""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 7.945630155476895 +""", +) + +entry( + index = 5784, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing", + kinetics = ArrheniusBM(A=(3.15426e-07,'m^3/(mol*s)'), n=3.7411, w0=(411,'kJ/mol'), E0=(13.5634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5785, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.33898e-22,'m^3/(mol*s)'), n=7.65374, w0=(411,'kJ/mol'), E0=(7.57333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1909511579193859, var=3.057570097570502, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing + Total Standard Deviation in ln(k): 3.985238270155277"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing +Total Standard Deviation in ln(k): 3.985238270155277""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing +Total Standard Deviation in ln(k): 3.985238270155277 +""", +) + +entry( + index = 5786, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.44456e-20,'m^3/(mol*s)'), n=6.97435, w0=(411,'kJ/mol'), E0=(3.64168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14877577295927832, var=3.783057131522572, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.273034759443393"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.273034759443393""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.273034759443393 +""", +) + +entry( + index = 5787, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.50018e-19,'m^3/(mol*s)'), n=6.36445, w0=(411,'kJ/mol'), E0=(13.1587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11894002441713139, var=5.643804723838109, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.06143190301598"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.06143190301598""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.06143190301598 +""", +) + +entry( + index = 5788, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(6.13801e-17,'m^3/(mol*s)'), n=5.75579, w0=(411,'kJ/mol'), E0=(26.9749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5789, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.34945e-17,'m^3/(mol*s)'), n=5.92661, w0=(411,'kJ/mol'), E0=(8.48959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20019268775996246, var=15.73990233255491, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 8.45649158609575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 8.45649158609575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 8.45649158609575 +""", +) + +entry( + index = 5790, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.83913e-14,'m^3/(mol*s)'), n=4.92705, w0=(411,'kJ/mol'), E0=(34.3367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5791, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.39631e-15,'m^3/(mol*s)'), n=5.72118, w0=(411,'kJ/mol'), E0=(33.8345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5792, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(4.21395e-14,'m^3/(mol*s)'), n=5.33692, w0=(411,'kJ/mol'), E0=(37.0503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5793, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(3.03987e-13,'m^3/(mol*s)'), n=4.99131, w0=(411,'kJ/mol'), E0=(33.674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5794, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing", + kinetics = ArrheniusBM(A=(3.86112e-15,'m^3/(mol*s)'), n=5.84447, w0=(411,'kJ/mol'), E0=(39.5565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5795, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(5.42596e-14,'m^3/(mol*s)'), n=5.44085, w0=(411,'kJ/mol'), E0=(50.0931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5796, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.63169e-11,'m^3/(mol*s)'), n=4.4524, w0=(411,'kJ/mol'), E0=(28.9688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.062432002405814056, var=0.08444599132555793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 0.7394321708096746"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.7394321708096746""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.7394321708096746 +""", +) + +entry( + index = 5797, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.76162e-11,'m^3/(mol*s)'), n=4.20499, w0=(411,'kJ/mol'), E0=(26.9606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5798, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(1.50483e-06,'m^3/(mol*s)'), n=3.40541, w0=(421.5,'kJ/mol'), E0=(29.9704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5799, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(7.59934e-18,'m^3/(mol*s)'), n=6.47582, w0=(411,'kJ/mol'), E0=(0.354225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22736194326805925, var=6.20961115890871, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 5.5668788253774295"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 5.5668788253774295""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 5.5668788253774295 +""", +) + +entry( + index = 5800, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.7594e-17,'m^3/(mol*s)'), n=6.18715, w0=(411,'kJ/mol'), E0=(0.573672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18896872769316905, var=5.649092898841264, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.239614139123298"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.239614139123298""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.239614139123298 +""", +) + +entry( + index = 5801, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(2.37098e-17,'m^3/(mol*s)'), n=6.60524, w0=(411,'kJ/mol'), E0=(4.16421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38742092877669787, var=2.3367751098465637, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 4.037960506396327"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.037960506396327""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.037960506396327 +""", +) + +entry( + index = 5802, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.25153e-17,'m^3/(mol*s)'), n=6.63236, w0=(411,'kJ/mol'), E0=(3.61542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45824945919598037, var=0.451514136519122, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 2.4984583090708568"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 2.4984583090708568""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 2.4984583090708568 +""", +) + +entry( + index = 5803, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.58545e-12,'m^3/(mol*s)'), n=5.13328, w0=(411,'kJ/mol'), E0=(24.7797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26175689354005577, var=0.293562457582443, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7438742551844668"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7438742551844668""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7438742551844668 +""", +) + +entry( + index = 5804, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.28503e-11,'m^3/(mol*s)'), n=4.85408, w0=(411,'kJ/mol'), E0=(31.3056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5805, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.07783e-13,'m^3/(mol*s)'), n=5.40988, w0=(411,'kJ/mol'), E0=(18.0531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5806, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(9.94922e-17,'m^3/(mol*s)'), n=6.07832, w0=(411,'kJ/mol'), E0=(4.70742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1328061489426913, var=5.660081264126191, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 5.103134037654016"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.103134037654016""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.103134037654016 +""", +) + +entry( + index = 5807, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.15932e-13,'m^3/(mol*s)'), n=5.04666, w0=(411,'kJ/mol'), E0=(5.35603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04158473592265619, var=6.617104447357731, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 5.261411268350579"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.261411268350579""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.261411268350579 +""", +) + +entry( + index = 5808, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing", + kinetics = ArrheniusBM(A=(9.14478e-11,'m^3/(mol*s)'), n=4.88066, w0=(411,'kJ/mol'), E0=(7.19532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5809, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.37999e-13,'m^3/(mol*s)'), n=5.05725, w0=(411,'kJ/mol'), E0=(0.186059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07551013976295226, var=4.572436163073026, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 4.476500208706613"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.476500208706613""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 4.476500208706613 +""", +) + +entry( + index = 5810, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.49822e-13,'m^3/(mol*s)'), n=4.93027, w0=(411,'kJ/mol'), E0=(29.6791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04471777933629945, var=5.186382024407652, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.677865627398596"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.677865627398596""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.677865627398596 +""", +) + +entry( + index = 5811, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H", + kinetics = ArrheniusBM(A=(5.27607e-10,'m^3/(mol*s)'), n=4.06465, w0=(411,'kJ/mol'), E0=(14.3137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10485049709615041, var=10.597402793287932, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H + Total Standard Deviation in ln(k): 6.789588330228953"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 6.789588330228953""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 6.789588330228953 +""", +) + +entry( + index = 5812, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000793264,'m^3/(mol*s)'), n=2.27577, w0=(411,'kJ/mol'), E0=(4.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28884929148528515, var=22.658235450334445, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 10.268424770145385"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 10.268424770145385""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 10.268424770145385 +""", +) + +entry( + index = 5813, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00294452,'m^3/(mol*s)'), n=1.84252, w0=(411,'kJ/mol'), E0=(0.0490579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5814, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.52115e-12,'m^3/(mol*s)'), n=4.70621, w0=(411,'kJ/mol'), E0=(21.0598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5815, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H", + kinetics = ArrheniusBM(A=(2.1778e-14,'m^3/(mol*s)'), n=5.23496, w0=(411,'kJ/mol'), E0=(33.7002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12165545099133593, var=3.640038059474461, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H + Total Standard Deviation in ln(k): 4.130477715615351"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 4.130477715615351""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H +Total Standard Deviation in ln(k): 4.130477715615351 +""", +) + +entry( + index = 5816, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.98419e-13,'m^3/(mol*s)'), n=4.51085, w0=(411,'kJ/mol'), E0=(20.4085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05266035151902347, var=9.124098794301192, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R + Total Standard Deviation in ln(k): 6.187839916294128"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 6.187839916294128""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R +Total Standard Deviation in ln(k): 6.187839916294128 +""", +) + +entry( + index = 5817, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.96679e-06,'m^3/(mol*s)'), n=2.76094, w0=(411,'kJ/mol'), E0=(10.634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5818, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.68566e-16,'m^3/(mol*s)'), n=5.75579, w0=(411,'kJ/mol'), E0=(35.4421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5819, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.31684e-12,'m^3/(mol*s)'), n=4.25881, w0=(411,'kJ/mol'), E0=(23.06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-1C-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5820, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.05356e-11,'m^3/(mol*s)'), n=4.46488, w0=(411,'kJ/mol'), E0=(63.2119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.037032780900246656, var=0.07453453710035506, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.6403601943808714"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6403601943808714""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.6403601943808714 +""", +) + +entry( + index = 5821, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.15744e-13,'m^3/(mol*s)'), n=5.33692, w0=(411,'kJ/mol'), E0=(41.4933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5822, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(7.33799e-14,'m^3/(mol*s)'), n=5.25535, w0=(411,'kJ/mol'), E0=(38.1005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H#7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5823, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.8515e-10,'m^3/(mol*s)'), n=4.20499, w0=(411,'kJ/mol'), E0=(16.1937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5824, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.05618e-14,'m^3/(mol*s)'), n=5.84447, w0=(411,'kJ/mol'), E0=(58.9793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5825, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(6.3032e-26,'m^3/(mol*s)'), n=8.892, w0=(411,'kJ/mol'), E0=(0.114305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.914261218843155, var=3.5359150809192164, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing + Total Standard Deviation in ln(k): 6.066848401853377"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.066848401853377""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.066848401853377 +""", +) + +entry( + index = 5826, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.94129e-12,'m^3/(mol*s)'), n=4.91937, w0=(411,'kJ/mol'), E0=(65.6436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2982580652385555, var=1.6933145161134757, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.3581021366012296"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.3581021366012296""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.3581021366012296 +""", +) + +entry( + index = 5827, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.567e-12,'m^3/(mol*s)'), n=4.91588, w0=(411,'kJ/mol'), E0=(60.4689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30157461289691884, var=5.402122593578411, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 5.417223990457447"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 5.417223990457447""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 5.417223990457447 +""", +) + +entry( + index = 5828, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.48692e-13,'m^3/(mol*s)'), n=5.44085, w0=(411,'kJ/mol'), E0=(70.7936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_N-7R!H-inRing_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5829, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_N-1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(1.77131e-06,'m^3/(mol*s)'), n=3.40541, w0=(421.5,'kJ/mol'), E0=(26.6308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_N-1BrCHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_N-1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-3C-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5830, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.99161e-18,'m^3/(mol*s)'), n=6.67713, w0=(411.42,'kJ/mol'), E0=(6.98594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31070389748075894, var=5.608078812216834, Tref=1000.0, N=75, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 75 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 5.528152894288732"""), + rank = 11, + shortDesc = """BM rule fitted to 75 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.528152894288732""", + longDesc = +""" +BM rule fitted to 75 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.528152894288732 +""", +) + +entry( + index = 5831, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.13002e-14,'m^3/(mol*s)'), n=5.4795, w0=(411.42,'kJ/mol'), E0=(6.55333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1568767600752629, var=4.17528058109252, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.490538800609213"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.490538800609213""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.490538800609213 +""", +) + +entry( + index = 5832, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(2.71469e-14,'m^3/(mol*s)'), n=5.49293, w0=(411,'kJ/mol'), E0=(8.0836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14238517037215262, var=4.138908221622113, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 4.436246245805173"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 4.436246245805173""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 4.436246245805173 +""", +) + +entry( + index = 5833, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.82914e-14,'m^3/(mol*s)'), n=5.33241, w0=(411,'kJ/mol'), E0=(1.78952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11137015818564491, var=3.795138485092103, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.185272012107043"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.185272012107043""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.185272012107043 +""", +) + +entry( + index = 5834, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.65753e-11,'m^3/(mol*s)'), n=4.61866, w0=(411,'kJ/mol'), E0=(2.37898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04500878209356591, var=3.5858914235397052, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.909343967684651"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.909343967684651""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.909343967684651 +""", +) + +entry( + index = 5835, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.15409e-08,'m^3/(mol*s)'), n=3.4604, w0=(411,'kJ/mol'), E0=(6.45673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0739813471184489, var=3.0271718825872562, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.6738751806413226"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.6738751806413226""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.6738751806413226 +""", +) + +entry( + index = 5836, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.53447e-08,'m^3/(mol*s)'), n=3.45765, w0=(411,'kJ/mol'), E0=(11.6911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12144409177390621, var=2.449115908508186, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.44247643226582"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.44247643226582""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.44247643226582 +""", +) + +entry( + index = 5837, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H", + kinetics = ArrheniusBM(A=(1.24502e-06,'m^3/(mol*s)'), n=2.99948, w0=(411,'kJ/mol'), E0=(8.21792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1602833198376957, var=3.9330942225567687, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H + Total Standard Deviation in ln(k): 4.378518570959565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H +Total Standard Deviation in ln(k): 4.378518570959565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H +Total Standard Deviation in ln(k): 4.378518570959565 +""", +) + +entry( + index = 5838, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(9.4728e-07,'m^3/(mol*s)'), n=2.93756, w0=(411,'kJ/mol'), E0=(9.49056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_Sp-13R!H#10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5839, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H", + kinetics = ArrheniusBM(A=(8.18739e-10,'m^3/(mol*s)'), n=3.76309, w0=(411,'kJ/mol'), E0=(14.0065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0955512673672998, var=0.5348061757489859, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H + Total Standard Deviation in ln(k): 1.706150213086871"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H +Total Standard Deviation in ln(k): 1.706150213086871""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H +Total Standard Deviation in ln(k): 1.706150213086871 +""", +) + +entry( + index = 5840, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(9.38971e-10,'m^3/(mol*s)'), n=3.80727, w0=(411,'kJ/mol'), E0=(19.6567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5841, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_10R!H-inRing", + kinetics = ArrheniusBM(A=(4.13099e-13,'m^3/(mol*s)'), n=4.86799, w0=(411,'kJ/mol'), E0=(13.4173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_10R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_10R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_10R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_10R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5842, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(1.41491e-06,'m^3/(mol*s)'), n=2.61401, w0=(411,'kJ/mol'), E0=(8.94556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_N-10R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_N-10R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_N-10R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Ext-1C-R_Ext-10R!H-R_N-Sp-13R!H#10R!H_N-10R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5843, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C", + kinetics = ArrheniusBM(A=(1.19934e-11,'m^3/(mol*s)'), n=4.89715, w0=(411,'kJ/mol'), E0=(18.8403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22735857503433815, var=1.143373718387025, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C + Total Standard Deviation in ln(k): 2.714888948515305"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C +Total Standard Deviation in ln(k): 2.714888948515305""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C +Total Standard Deviation in ln(k): 2.714888948515305 +""", +) + +entry( + index = 5844, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.13147e-11,'m^3/(mol*s)'), n=4.83768, w0=(411,'kJ/mol'), E0=(23.4655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21292200176561976, var=0.29598418783415736, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.6256445727173872"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.6256445727173872""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.6256445727173872 +""", +) + +entry( + index = 5845, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(2.69432e-10,'m^3/(mol*s)'), n=4.55897, w0=(411,'kJ/mol'), E0=(29.8016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5846, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(1.70831e-12,'m^3/(mol*s)'), n=5.11477, w0=(411,'kJ/mol'), E0=(17.0673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_Sp-10R!H=1C_Ext-11R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5847, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C", + kinetics = ArrheniusBM(A=(7.95063e-12,'m^3/(mol*s)'), n=4.82033, w0=(411,'kJ/mol'), E0=(1.74194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04244122635536059, var=5.472363171757941, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C + Total Standard Deviation in ln(k): 4.796329588403869"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C +Total Standard Deviation in ln(k): 4.796329588403869""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C +Total Standard Deviation in ln(k): 4.796329588403869 +""", +) + +entry( + index = 5848, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing", + kinetics = ArrheniusBM(A=(7.56857e-10,'m^3/(mol*s)'), n=4.43817, w0=(411,'kJ/mol'), E0=(5.90499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4252949732507602, var=36.72404791358861, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing + Total Standard Deviation in ln(k): 13.217348991709084"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing +Total Standard Deviation in ln(k): 13.217348991709084""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing +Total Standard Deviation in ln(k): 13.217348991709084 +""", +) + +entry( + index = 5849, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_1C-inRing", + kinetics = ArrheniusBM(A=(5.45188e-07,'m^3/(mol*s)'), n=3.76551, w0=(411,'kJ/mol'), E0=(2.51541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5850, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.82964e-12,'m^3/(mol*s)'), n=5.04181, w0=(411,'kJ/mol'), E0=(19.9136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_N-1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_N-1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_10R!H-inRing_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5851, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(1.74126e-12,'m^3/(mol*s)'), n=4.94772, w0=(411,'kJ/mol'), E0=(4.70204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23592142426575277, var=3.7259289586384603, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing + Total Standard Deviation in ln(k): 4.462440461541513"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing +Total Standard Deviation in ln(k): 4.462440461541513""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing +Total Standard Deviation in ln(k): 4.462440461541513 +""", +) + +entry( + index = 5852, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(7.91511e-12,'m^3/(mol*s)'), n=4.73398, w0=(411,'kJ/mol'), E0=(22.7923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010126841152721552, var=4.201926920746729, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R + Total Standard Deviation in ln(k): 4.134871010906037"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 4.134871010906037""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 4.134871010906037 +""", +) + +entry( + index = 5853, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H", + kinetics = ArrheniusBM(A=(7.61332e-14,'m^3/(mol*s)'), n=5.28546, w0=(411,'kJ/mol'), E0=(0.0904178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4688257551234879, var=6.255037148817612, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H + Total Standard Deviation in ln(k): 6.191811075108873"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H +Total Standard Deviation in ln(k): 6.191811075108873""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H +Total Standard Deviation in ln(k): 6.191811075108873 +""", +) + +entry( + index = 5854, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.7245e-10,'m^3/(mol*s)'), n=4.31733, w0=(411,'kJ/mol'), E0=(54.8127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02268433524090009, var=6.95903098476218, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H_Ext-11R!H-R + Total Standard Deviation in ln(k): 5.345482005918739"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 5.345482005918739""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_Sp-12R!H=10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 5.345482005918739 +""", +) + +entry( + index = 5855, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H", + kinetics = ArrheniusBM(A=(8.63564e-11,'m^3/(mol*s)'), n=4.5314, w0=(411,'kJ/mol'), E0=(15.318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25143504408910294, var=14.144812705480534, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H + Total Standard Deviation in ln(k): 8.171472802071186"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H +Total Standard Deviation in ln(k): 8.171472802071186""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H +Total Standard Deviation in ln(k): 8.171472802071186 +""", +) + +entry( + index = 5856, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.13754e-07,'m^3/(mol*s)'), n=3.70673, w0=(411,'kJ/mol'), E0=(8.01028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Ext-1C-R_N-Sp-10R!H=1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-12R!H=10R!H_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5857, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C", + kinetics = ArrheniusBM(A=(1.05819e-21,'m^3/(mol*s)'), n=7.7387, w0=(411,'kJ/mol'), E0=(3.26669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6917892196947805, var=2.573418069191401, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C + Total Standard Deviation in ln(k): 4.954135154235897"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C +Total Standard Deviation in ln(k): 4.954135154235897""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C +Total Standard Deviation in ln(k): 4.954135154235897 +""", +) + +entry( + index = 5858, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_10R!H-inRing", + kinetics = ArrheniusBM(A=(1.25894e-13,'m^3/(mol*s)'), n=5.54936, w0=(411,'kJ/mol'), E0=(42.3631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_10R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_10R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_10R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_10R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5859, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(6.519e-22,'m^3/(mol*s)'), n=7.76788, w0=(411,'kJ/mol'), E0=(0.680306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8340255252382304, var=3.3803647623707556, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing + Total Standard Deviation in ln(k): 5.78140098567872"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing +Total Standard Deviation in ln(k): 5.78140098567872""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing +Total Standard Deviation in ln(k): 5.78140098567872 +""", +) + +entry( + index = 5860, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(4.86272e-13,'m^3/(mol*s)'), n=5.21401, w0=(411,'kJ/mol'), E0=(50.1327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2703205158709917, var=0.14868963246441044, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.4522290291516062"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.4522290291516062""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.4522290291516062 +""", +) + +entry( + index = 5861, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.20395e-11,'m^3/(mol*s)'), n=4.76833, w0=(411,'kJ/mol'), E0=(52.4691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24054945366270544, var=0.005331447237134882, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 0.7507748721758675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 0.7507748721758675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 0.7507748721758675 +""", +) + +entry( + index = 5862, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.77339e-12,'m^3/(mol*s)'), n=5.14574, w0=(411,'kJ/mol'), E0=(54.5648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-10R!H-1C_N-10R!H-inRing_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5863, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-10R!H-1C", + kinetics = ArrheniusBM(A=(1.70537e-11,'m^3/(mol*s)'), n=5.05368, w0=(411,'kJ/mol'), E0=(12.3078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-10R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-10R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-10R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-10R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5864, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(1.32972e-05,'m^3/(mol*s)'), n=3.1103, w0=(421.5,'kJ/mol'), E0=(17.2312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-1BrCHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5865, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.40056e-20,'m^3/(mol*s)'), n=7.03444, w0=(411.42,'kJ/mol'), E0=(7.18083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35844616803143275, var=6.0477086361407375, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.830680947721192"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.830680947721192""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.830680947721192 +""", +) + +entry( + index = 5866, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(6.24966e-20,'m^3/(mol*s)'), n=7.08093, w0=(411,'kJ/mol'), E0=(7.61101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34495215338274804, var=6.035890181338823, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 5.791956859354585"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 5.791956859354585""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 5.791956859354585 +""", +) + +entry( + index = 5867, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.24833e-20,'m^3/(mol*s)'), n=7.0323, w0=(411,'kJ/mol'), E0=(7.5446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3125174921700894, var=6.174157458491261, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.766555867036107"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.766555867036107""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.766555867036107 +""", +) + +entry( + index = 5868, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C", + kinetics = ArrheniusBM(A=(4.20474e-05,'m^3/(mol*s)'), n=3.05293, w0=(411,'kJ/mol'), E0=(48.5865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14267584876503395, var=3.5570451020823146, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C + Total Standard Deviation in ln(k): 4.139438484625528"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C +Total Standard Deviation in ln(k): 4.139438484625528""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C +Total Standard Deviation in ln(k): 4.139438484625528 +""", +) + +entry( + index = 5869, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.19927e-08,'m^3/(mol*s)'), n=3.89628, w0=(411,'kJ/mol'), E0=(42.5375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19806509576931167, var=1.9512710835195193, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.298023427096761"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.298023427096761""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.298023427096761 +""", +) + +entry( + index = 5870, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.91408e-11,'m^3/(mol*s)'), n=4.83181, w0=(411,'kJ/mol'), E0=(39.3066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2590682485771014, var=0.40701941879501585, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.9299076067232874"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.9299076067232874""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.9299076067232874 +""", +) + +entry( + index = 5871, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(2.39629e-10,'m^3/(mol*s)'), n=4.55427, w0=(411,'kJ/mol'), E0=(45.7882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5872, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.5204e-12,'m^3/(mol*s)'), n=5.11006, w0=(411,'kJ/mol'), E0=(32.8006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-9R!H=1C_Ext-1C-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5873, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C", + kinetics = ArrheniusBM(A=(3.46265e-20,'m^3/(mol*s)'), n=7.09093, w0=(411,'kJ/mol'), E0=(4.07909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24914754806351616, var=5.147692471289697, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C + Total Standard Deviation in ln(k): 5.1744474121033575"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C +Total Standard Deviation in ln(k): 5.1744474121033575""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C +Total Standard Deviation in ln(k): 5.1744474121033575 +""", +) + +entry( + index = 5874, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(6.06962e-20,'m^3/(mol*s)'), n=7.00773, w0=(411,'kJ/mol'), E0=(6.40806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22236585089628333, var=6.17853631414608, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R + Total Standard Deviation in ln(k): 5.541810331975295"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.541810331975295""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R +Total Standard Deviation in ln(k): 5.541810331975295 +""", +) + +entry( + index = 5875, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.29307e-21,'m^3/(mol*s)'), n=7.2525, w0=(411,'kJ/mol'), E0=(2.43803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3297931006244669, var=3.6308867535408047, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 4.648625690032978"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.648625690032978""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.648625690032978 +""", +) + +entry( + index = 5876, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.44466e-12,'m^3/(mol*s)'), n=4.70137, w0=(411,'kJ/mol'), E0=(48.5098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.145605579317481, var=6.184110280346429, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R + Total Standard Deviation in ln(k): 5.351192573957815"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.351192573957815""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.351192573957815 +""", +) + +entry( + index = 5877, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.29429e-11,'m^3/(mol*s)'), n=4.1798, w0=(411,'kJ/mol'), E0=(49.7394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055651661157945995, var=0.17443838676316606, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 0.9771223736337866"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.9771223736337866""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.9771223736337866 +""", +) + +entry( + index = 5878, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(7.45048e-13,'m^3/(mol*s)'), n=4.67632, w0=(411,'kJ/mol'), E0=(54.398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5879, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.01338e-10,'m^3/(mol*s)'), n=4.31497, w0=(411,'kJ/mol'), E0=(58.9423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00714461506986056, var=5.341979635281725, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 4.651439943259709"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 4.651439943259709""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_Sp-10R!H=9R!H_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 4.651439943259709 +""", +) + +entry( + index = 5880, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(2.50296e-14,'m^3/(mol*s)'), n=5.49051, w0=(411,'kJ/mol'), E0=(30.2414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2729907181326423, var=8.890427436624439, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 6.6633887841815715"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 6.6633887841815715""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 6.6633887841815715 +""", +) + +entry( + index = 5881, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing", + kinetics = ArrheniusBM(A=(6.59706e-08,'m^3/(mol*s)'), n=4.00946, w0=(411,'kJ/mol'), E0=(-15.536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5882, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing", + kinetics = ArrheniusBM(A=(2.43223e-20,'m^3/(mol*s)'), n=7.16833, w0=(411,'kJ/mol'), E0=(4.53807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0885846487822115, var=2.415050830209068, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing + Total Standard Deviation in ln(k): 3.338019772226101"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing +Total Standard Deviation in ln(k): 3.338019772226101""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing +Total Standard Deviation in ln(k): 3.338019772226101 +""", +) + +entry( + index = 5883, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.51442e-19,'m^3/(mol*s)'), n=6.65873, w0=(411,'kJ/mol'), E0=(9.86307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10911089201344226, var=3.52932207898653, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 4.040341525649808"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.040341525649808""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 4.040341525649808 +""", +) + +entry( + index = 5884, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.75498e-17,'m^3/(mol*s)'), n=6.09351, w0=(411,'kJ/mol'), E0=(9.86569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0769705357483946, var=6.51807994103588, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.31158833517277"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.31158833517277""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.31158833517277 +""", +) + +entry( + index = 5885, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.03402e-12,'m^3/(mol*s)'), n=4.62723, w0=(411,'kJ/mol'), E0=(41.3363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5886, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(3.14092e-15,'m^3/(mol*s)'), n=5.45597, w0=(411,'kJ/mol'), E0=(30.2251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5887, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.85918e-12,'m^3/(mol*s)'), n=4.74539, w0=(411,'kJ/mol'), E0=(22.9699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5888, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.01034e-13,'m^3/(mol*s)'), n=5.42136, w0=(411,'kJ/mol'), E0=(39.8617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5889, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(1.62531e-12,'m^3/(mol*s)'), n=5.0371, w0=(411,'kJ/mol'), E0=(39.4968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5890, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.17546e-11,'m^3/(mol*s)'), n=4.69149, w0=(411,'kJ/mol'), E0=(36.4863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_Ext-1C-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5891, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing", + kinetics = ArrheniusBM(A=(1.11998e-13,'m^3/(mol*s)'), n=5.54465, w0=(411,'kJ/mol'), E0=(41.3956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5892, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.57712e-12,'m^3/(mol*s)'), n=5.14103, w0=(411,'kJ/mol'), E0=(43.479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-9R!H-R_N-Sp-10R!H=9R!H_N-1C-inRing_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5893, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.13305e-10,'m^3/(mol*s)'), n=4.16219, w0=(411,'kJ/mol'), E0=(30.2789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04315723819337387, var=0.001400850453765813, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 0.18346836963780158"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.18346836963780158""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.18346836963780158 +""", +) + +entry( + index = 5894, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.15627e-09,'m^3/(mol*s)'), n=3.90517, w0=(411,'kJ/mol'), E0=(28.6151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-9R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5895, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(1.11434e-05,'m^3/(mol*s)'), n=3.10559, w0=(421.5,'kJ/mol'), E0=(33.2459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5896, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(3.14447e-21,'m^3/(mol*s)'), n=7.48944, w0=(411,'kJ/mol'), E0=(9.28964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38421084634159336, var=5.478206516807533, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 5.657550366803777"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 5.657550366803777""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 5.657550366803777 +""", +) + +entry( + index = 5897, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.7378e-21,'m^3/(mol*s)'), n=7.42433, w0=(411,'kJ/mol'), E0=(9.7076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35649462595811104, var=5.60662393350983, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.642589125959429"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.642589125959429""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.642589125959429 +""", +) + +entry( + index = 5898, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(4.43522e-06,'m^3/(mol*s)'), n=3.36895, w0=(411,'kJ/mol'), E0=(51.8248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1717438423328505, var=3.4386583686659153, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C + Total Standard Deviation in ln(k): 4.149021707821796"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.149021707821796""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C +Total Standard Deviation in ln(k): 4.149021707821796 +""", +) + +entry( + index = 5899, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.69959e-09,'m^3/(mol*s)'), n=4.12698, w0=(411,'kJ/mol'), E0=(46.5507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21329544887459556, var=1.7210157933908974, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.1658798731062223"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.1658798731062223""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.1658798731062223 +""", +) + +entry( + index = 5900, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.46149e-11,'m^3/(mol*s)'), n=4.83666, w0=(411,'kJ/mol'), E0=(45.1132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26229897844724054, var=0.317859041607259, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7892920309181999"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7892920309181999""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7892920309181999 +""", +) + +entry( + index = 5901, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(3.08605e-10,'m^3/(mol*s)'), n=4.55897, w0=(411,'kJ/mol'), E0=(51.3687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5902, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.9568e-12,'m^3/(mol*s)'), n=5.11477, w0=(411,'kJ/mol'), E0=(38.8451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_Sp-7R!H=1C_Ext-1C-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5903, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C", + kinetics = ArrheniusBM(A=(3.02254e-21,'m^3/(mol*s)'), n=7.43098, w0=(411,'kJ/mol'), E0=(6.94814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28145843018741, var=4.89608198775832, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C + Total Standard Deviation in ln(k): 5.143077727457278"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.143077727457278""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C +Total Standard Deviation in ln(k): 5.143077727457278 +""", +) + +entry( + index = 5904, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.3341e-20,'m^3/(mol*s)'), n=7.03694, w0=(411,'kJ/mol'), E0=(7.06765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23720675846588152, var=6.9401301002330875, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 5.877296362503516"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.877296362503516""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 5.877296362503516 +""", +) + +entry( + index = 5905, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.39071e-20,'m^3/(mol*s)'), n=6.96997, w0=(411,'kJ/mol'), E0=(0.0122997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33252629362129316, var=4.553184239293669, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.113235333817313"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.113235333817313""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.113235333817313 +""", +) + +entry( + index = 5906, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.18026e-20,'m^3/(mol*s)'), n=6.86907, w0=(411,'kJ/mol'), E0=(9.52133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22034246323121187, var=4.7146469057184115, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.906553201673876"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.906553201673876""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.906553201673876 +""", +) + +entry( + index = 5907, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(9.42161e-12,'m^3/(mol*s)'), n=4.25544, w0=(411,'kJ/mol'), E0=(54.9844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04876986019731798, var=0.12934388740908861, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.8435285041982974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.8435285041982974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.8435285041982974 +""", +) + +entry( + index = 5908, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.58765e-13,'m^3/(mol*s)'), n=4.68102, w0=(411,'kJ/mol'), E0=(60.3676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_Sp-10R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5909, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(3.18202e-19,'m^3/(mol*s)'), n=6.6313, w0=(411,'kJ/mol'), E0=(15.8972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08820232250152532, var=6.72861611083895, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 5.421811696632199"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 5.421811696632199""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 5.421811696632199 +""", +) + +entry( + index = 5910, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.32759e-12,'m^3/(mol*s)'), n=4.63194, w0=(411,'kJ/mol'), E0=(47.4524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5911, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(4.04363e-15,'m^3/(mol*s)'), n=5.46068, w0=(411,'kJ/mol'), E0=(36.2004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5912, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(2.38956e-12,'m^3/(mol*s)'), n=4.7501, w0=(411,'kJ/mol'), E0=(30.2565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_Ext-1C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5913, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing", + kinetics = ArrheniusBM(A=(8.57554e-10,'m^3/(mol*s)'), n=4.58555, w0=(411,'kJ/mol'), E0=(19.5927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5914, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(5.85665e-21,'m^3/(mol*s)'), n=7.39339, w0=(411,'kJ/mol'), E0=(12.202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3358992556842181, var=0.3476366092605204, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 2.0259741450745126"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 2.0259741450745126""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 2.0259741450745126 +""", +) + +entry( + index = 5915, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.44877e-20,'m^3/(mol*s)'), n=7.2781, w0=(411,'kJ/mol'), E0=(17.301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29279757851176075, var=0.3653704816879584, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.9474521346605367"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.9474521346605367""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.9474521346605367 +""", +) + +entry( + index = 5916, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(1.1339e-17,'m^3/(mol*s)'), n=6.3679, w0=(411,'kJ/mol'), E0=(32.5699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35072829399279903, var=0.27823107230270455, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.9386767783367267"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.9386767783367267""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.9386767783367267 +""", +) + +entry( + index = 5917, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.35964e-10,'m^3/(mol*s)'), n=4.31733, w0=(411,'kJ/mol'), E0=(56.5252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0031762381414651157, var=0.04001485902341642, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.4090019774205942"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4090019774205942""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_Sp-9R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4090019774205942 +""", +) + +entry( + index = 5918, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(7.25194e-13,'m^3/(mol*s)'), n=5.15324, w0=(411,'kJ/mol'), E0=(43.5964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21482803625542732, var=0.00918643529889872, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 0.731914560018753"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 0.731914560018753""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 0.731914560018753 +""", +) + +entry( + index = 5919, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.30245e-13,'m^3/(mol*s)'), n=5.42607, w0=(411,'kJ/mol'), E0=(45.9098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5920, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(2.08812e-12,'m^3/(mol*s)'), n=5.04181, w0=(411,'kJ/mol'), E0=(45.5853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5921, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.50928e-11,'m^3/(mol*s)'), n=4.6962, w0=(411,'kJ/mol'), E0=(42.1664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-1C-R_N-1C-inRing_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5922, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.03e-15,'m^3/(mol*s)'), n=5.79582, w0=(411,'kJ/mol'), E0=(39.7606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3690079626277818, var=1.308551844920341, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.2204112520228736"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.2204112520228736""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.2204112520228736 +""", +) + +entry( + index = 5923, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(9.49982e-12,'m^3/(mol*s)'), n=4.76833, w0=(411,'kJ/mol'), E0=(46.9182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28209952217396617, var=2.1656185479933336, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.658969074680606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.658969074680606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.658969074680606 +""", +) + +entry( + index = 5924, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.01067e-13,'m^3/(mol*s)'), n=5.35722, w0=(411,'kJ/mol'), E0=(45.904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35224652608332485, var=0.001355053963294821, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.9588379412744392"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.9588379412744392""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.9588379412744392 +""", +) + +entry( + index = 5925, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.44522e-13,'m^3/(mol*s)'), n=5.54936, w0=(411,'kJ/mol'), E0=(46.9487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5926, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(2.02937e-12,'m^3/(mol*s)'), n=5.14574, w0=(411,'kJ/mol'), E0=(45.0415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-7R!H=1C_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5927, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_N-1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(2.94669e-05,'m^3/(mol*s)'), n=3.1103, w0=(421.5,'kJ/mol'), E0=(42.8638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_N-1BrCHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_N-1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_Ext-3C-R_Ext-4R!H-R_Ext-4R!H-R_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5928, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(9.61388e-22,'m^3/(mol*s)'), n=7.73498, w0=(411,'kJ/mol'), E0=(5.69949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4303297649874652, var=9.490377917165869, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 7.257109057281273"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 7.257109057281273""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 7.257109057281273 +""", +) + +entry( + index = 5929, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.29175e-22,'m^3/(mol*s)'), n=7.72401, w0=(411,'kJ/mol'), E0=(5.13472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3652754982741162, var=9.454572507997769, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R + Total Standard Deviation in ln(k): 7.081994903125561"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.081994903125561""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.081994903125561 +""", +) + +entry( + index = 5930, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C", + kinetics = ArrheniusBM(A=(7.39669e-05,'m^3/(mol*s)'), n=3.14293, w0=(411,'kJ/mol'), E0=(52.2674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3020612387123943, var=3.8217019999310797, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C + Total Standard Deviation in ln(k): 4.678039300182062"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C +Total Standard Deviation in ln(k): 4.678039300182062""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C +Total Standard Deviation in ln(k): 4.678039300182062 +""", +) + +entry( + index = 5931, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.37913e-08,'m^3/(mol*s)'), n=4.0498, w0=(411,'kJ/mol'), E0=(45.7153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37068191530545574, var=2.1938768899982795, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 3.9007233890016746"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.9007233890016746""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 3.9007233890016746 +""", +) + +entry( + index = 5932, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.62864e-12,'m^3/(mol*s)'), n=5.1688, w0=(411,'kJ/mol'), E0=(41.0202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4359480474644746, var=0.4077874360235074, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.375535318488087"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.375535318488087""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.375535318488087 +""", +) + +entry( + index = 5933, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(5.79235e-11,'m^3/(mol*s)'), n=4.89141, w0=(411,'kJ/mol'), E0=(47.5648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5934, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(3.66826e-13,'m^3/(mol*s)'), n=5.44721, w0=(411,'kJ/mol'), E0=(34.4242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_Sp-4R!H=1C_Ext-1C-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5935, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C", + kinetics = ArrheniusBM(A=(2.05328e-22,'m^3/(mol*s)'), n=7.85683, w0=(411,'kJ/mol'), E0=(0.222152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3551244956304142, var=7.015337683717345, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C + Total Standard Deviation in ln(k): 6.202110706301509"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C +Total Standard Deviation in ln(k): 6.202110706301509""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C +Total Standard Deviation in ln(k): 6.202110706301509 +""", +) + +entry( + index = 5936, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.41624e-22,'m^3/(mol*s)'), n=7.81716, w0=(411,'kJ/mol'), E0=(3.38738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30592853035974965, var=9.380080384572816, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R + Total Standard Deviation in ln(k): 6.9085501102115785"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R +Total Standard Deviation in ln(k): 6.9085501102115785""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R +Total Standard Deviation in ln(k): 6.9085501102115785 +""", +) + +entry( + index = 5937, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.40758e-23,'m^3/(mol*s)'), n=7.93686, w0=(411,'kJ/mol'), E0=(0.147842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3635560303501101, var=4.066924851922815, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.95633003045383"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.95633003045383""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.95633003045383 +""", +) + +entry( + index = 5938, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.75206e-17,'m^3/(mol*s)'), n=6.06068, w0=(411,'kJ/mol'), E0=(39.74,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24716709787103694, var=6.820409866857992, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R + Total Standard Deviation in ln(k): 5.856571833232154"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.856571833232154""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R +Total Standard Deviation in ln(k): 5.856571833232154 +""", +) + +entry( + index = 5939, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.21112e-12,'m^3/(mol*s)'), n=4.6347, w0=(411,'kJ/mol'), E0=(52.3487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13384049122429156, var=0.0785331114259308, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 0.8980847843154207"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.8980847843154207""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 0.8980847843154207 +""", +) + +entry( + index = 5940, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.79283e-13,'m^3/(mol*s)'), n=5.01346, w0=(411,'kJ/mol'), E0=(58.2458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5941, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.75362e-11,'m^3/(mol*s)'), n=4.48355, w0=(411,'kJ/mol'), E0=(58.3418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07564098890045609, var=14.029497637690639, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 7.698982628665178"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.698982628665178""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.698982628665178 +""", +) + +entry( + index = 5942, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.45703e-08,'m^3/(mol*s)'), n=3.999, w0=(411,'kJ/mol'), E0=(50.3505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4268341150863831, var=11.74548619294119, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 7.943013096053555"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 7.943013096053555""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 7.943013096053555 +""", +) + +entry( + index = 5943, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.91031e-06,'m^3/(mol*s)'), n=3.28167, w0=(411,'kJ/mol'), E0=(54.6313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35965941805358465, var=15.657742606819875, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R + Total Standard Deviation in ln(k): 8.836376629743754"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R +Total Standard Deviation in ln(k): 8.836376629743754""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R +Total Standard Deviation in ln(k): 8.836376629743754 +""", +) + +entry( + index = 5944, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.57744e-20,'m^3/(mol*s)'), n=7.12928, w0=(411,'kJ/mol'), E0=(13.4191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06789002596190971, var=6.839500786432116, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.413449186754329"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.413449186754329""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.413449186754329 +""", +) + +entry( + index = 5945, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.48604e-13,'m^3/(mol*s)'), n=4.96438, w0=(411,'kJ/mol'), E0=(45.8702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5946, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.55661e-16,'m^3/(mol*s)'), n=5.79312, w0=(411,'kJ/mol'), E0=(33.9283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5947, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(4.49005e-13,'m^3/(mol*s)'), n=5.08254, w0=(411,'kJ/mol'), E0=(28.6445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_Ext-1C-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5948, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_1C-inRing", + kinetics = ArrheniusBM(A=(1.62036e-07,'m^3/(mol*s)'), n=4.05751, w0=(411,'kJ/mol'), E0=(15.8927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5949, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.07154e-13,'m^3/(mol*s)'), n=5.51553, w0=(411,'kJ/mol'), E0=(41.0222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3337989643048655, var=0.024775472719482845, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 1.1542407050352317"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 1.1542407050352317""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 1.1542407050352317 +""", +) + +entry( + index = 5950, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.44233e-14,'m^3/(mol*s)'), n=5.75851, w0=(411,'kJ/mol'), E0=(43.7861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5951, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.93225e-13,'m^3/(mol*s)'), n=5.37425, w0=(411,'kJ/mol'), E0=(42.9204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5952, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(2.83161e-12,'m^3/(mol*s)'), n=5.02864, w0=(411,'kJ/mol'), E0=(39.9929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_Ext-1C-R_N-1C-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5953, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.71477e-14,'m^3/(mol*s)'), n=5.8818, w0=(411,'kJ/mol'), E0=(44.5004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5954, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.8119e-13,'m^3/(mol*s)'), n=5.47818, w0=(411,'kJ/mol'), E0=(42.024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5955, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.35227e-10,'m^3/(mol*s)'), n=4.51042, w0=(411,'kJ/mol'), E0=(32.137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1019534439213624, var=0.0031856629093335895, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R + Total Standard Deviation in ln(k): 0.36931504179214736"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.36931504179214736""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R +Total Standard Deviation in ln(k): 0.36931504179214736 +""", +) + +entry( + index = 5956, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.61862e-10,'m^3/(mol*s)'), n=4.24232, w0=(411,'kJ/mol'), E0=(30.4722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_1BrCHINOPSSi->C_Ext-1C-R_N-Sp-4R!H=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5957, + label = "Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_N-1BrCHINOPSSi->C", + kinetics = ArrheniusBM(A=(3.36061e-06,'m^3/(mol*s)'), n=3.44274, w0=(421.5,'kJ/mol'), E0=(34.1257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_N-1BrCHINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_N-1BrCHINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_3BrCClHINOS->C_N-1R-u2_N-1R->F_N-1BrCClHINOPSSi->Cl_N-1BrCHINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5958, + label = "Root_N-3R->F_N-3BrCClHINOS->C", + kinetics = ArrheniusBM(A=(0.0563334,'m^3/(mol*s)'), n=2.39446, w0=(415.162,'kJ/mol'), E0=(12.7977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2146106822768229, var=15.843835206738378, Tref=1000.0, N=1506, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C',), comment="""BM rule fitted to 1506 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C + Total Standard Deviation in ln(k): 8.518933541653764"""), + rank = 11, + shortDesc = """BM rule fitted to 1506 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C +Total Standard Deviation in ln(k): 8.518933541653764""", + longDesc = +""" +BM rule fitted to 1506 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C +Total Standard Deviation in ln(k): 8.518933541653764 +""", +) + +entry( + index = 5959, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R", + kinetics = ArrheniusBM(A=(1338.46,'m^3/(mol*s)'), n=1.14162, w0=(414.725,'kJ/mol'), E0=(19.4901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07550520703391131, var=14.433982830699088, Tref=1000.0, N=1227, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R',), comment="""BM rule fitted to 1227 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R + Total Standard Deviation in ln(k): 7.8061174896550805"""), + rank = 11, + shortDesc = """BM rule fitted to 1227 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R +Total Standard Deviation in ln(k): 7.8061174896550805""", + longDesc = +""" +BM rule fitted to 1227 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R +Total Standard Deviation in ln(k): 7.8061174896550805 +""", +) + +entry( + index = 5960, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R", + kinetics = ArrheniusBM(A=(3.32757,'m^3/(mol*s)'), n=1.85873, w0=(414.405,'kJ/mol'), E0=(7.20527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1482394530896715, var=8.715700770184398, Tref=1000.0, N=1068, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R',), comment="""BM rule fitted to 1068 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R + Total Standard Deviation in ln(k): 6.290913147732918"""), + rank = 11, + shortDesc = """BM rule fitted to 1068 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R +Total Standard Deviation in ln(k): 6.290913147732918""", + longDesc = +""" +BM rule fitted to 1068 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R +Total Standard Deviation in ln(k): 6.290913147732918 +""", +) + +entry( + index = 5961, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl", + kinetics = ArrheniusBM(A=(1.73283e+07,'m^3/(mol*s)'), n=-0.0499196, w0=(421.528,'kJ/mol'), E0=(9.0307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06925802653628067, var=1.6036010070375333, Tref=1000.0, N=71, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl',), comment="""BM rule fitted to 71 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl + Total Standard Deviation in ln(k): 2.7126787042291713"""), + rank = 11, + shortDesc = """BM rule fitted to 71 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl +Total Standard Deviation in ln(k): 2.7126787042291713""", + longDesc = +""" +BM rule fitted to 71 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl +Total Standard Deviation in ln(k): 2.7126787042291713 +""", +) + +entry( + index = 5962, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl", + kinetics = ArrheniusBM(A=(16.9399,'m^3/(mol*s)'), n=1.9377, w0=(421.5,'kJ/mol'), E0=(2.14031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0040537005434324955, var=1.419485074433853, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl + Total Standard Deviation in ln(k): 2.3986695524709853"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl +Total Standard Deviation in ln(k): 2.3986695524709853""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl +Total Standard Deviation in ln(k): 2.3986695524709853 +""", +) + +entry( + index = 5963, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R", + kinetics = ArrheniusBM(A=(20.7903,'m^3/(mol*s)'), n=1.92336, w0=(419.5,'kJ/mol'), E0=(6.66605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01271719401903416, var=1.2251523126886068, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R + Total Standard Deviation in ln(k): 2.2509258184622"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R +Total Standard Deviation in ln(k): 2.2509258184622""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R +Total Standard Deviation in ln(k): 2.2509258184622 +""", +) + +entry( + index = 5964, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F", + kinetics = ArrheniusBM(A=(31.9414,'m^3/(mol*s)'), n=1.4505, w0=(419.5,'kJ/mol'), E0=(0.518176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002743213067476048, var=4.821656094906538, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F + Total Standard Deviation in ln(k): 4.408943851601276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F +Total Standard Deviation in ln(k): 4.408943851601276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F +Total Standard Deviation in ln(k): 4.408943851601276 +""", +) + +entry( + index = 5965, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(3.1e+06,'m^3/(mol*s)'), n=-7.36528e-08, w0=(419.5,'kJ/mol'), E0=(25.7462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5966, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(4.60698e+07,'m^3/(mol*s)'), n=-0.292496, w0=(419.5,'kJ/mol'), E0=(18.0295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_N-6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_5R!H->F_Ext-1R-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5967, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(18.2821,'m^3/(mol*s)'), n=1.9516, w0=(419.5,'kJ/mol'), E0=(1.10909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04264429675662066, var=1.0413175302397009, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F + Total Standard Deviation in ln(k): 2.1528777236418146"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.1528777236418146""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F +Total Standard Deviation in ln(k): 2.1528777236418146 +""", +) + +entry( + index = 5968, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R", + kinetics = ArrheniusBM(A=(12.2477,'m^3/(mol*s)'), n=1.92882, w0=(419.5,'kJ/mol'), E0=(3.19998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1756500535325101, var=0.4745899249218535, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R + Total Standard Deviation in ln(k): 1.8224035579646356"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R +Total Standard Deviation in ln(k): 1.8224035579646356""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R +Total Standard Deviation in ln(k): 1.8224035579646356 +""", +) + +entry( + index = 5969, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(11.669,'m^3/(mol*s)'), n=1.94761, w0=(419.5,'kJ/mol'), E0=(6.19928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16049288588852026, var=0.3563592409051403, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 1.5999917493958538"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 1.5999917493958538""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 1.5999917493958538 +""", +) + +entry( + index = 5970, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R", + kinetics = ArrheniusBM(A=(812.785,'m^3/(mol*s)'), n=1.41897, w0=(419.5,'kJ/mol'), E0=(20.3449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06312700361862708, var=0.29973135153592223, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R + Total Standard Deviation in ln(k): 1.2561574314680723"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R +Total Standard Deviation in ln(k): 1.2561574314680723""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R +Total Standard Deviation in ln(k): 1.2561574314680723 +""", +) + +entry( + index = 5971, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(5604.72,'m^3/(mol*s)'), n=1.10713, w0=(419.5,'kJ/mol'), E0=(19.3297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37469205106398473, var=1.5515107484138644, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl + Total Standard Deviation in ln(k): 3.43852839665061"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 3.43852839665061""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 3.43852839665061 +""", +) + +entry( + index = 5972, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.11916e+09,'m^3/(mol*s)'), n=-0.686315, w0=(419.5,'kJ/mol'), E0=(33.3237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10620552107214168, var=9.253948950783217, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R + Total Standard Deviation in ln(k): 6.3653130910414735"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 6.3653130910414735""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 6.3653130910414735 +""", +) + +entry( + index = 5973, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.3e+06,'m^3/(mol*s)'), n=5.21576e-08, w0=(419.5,'kJ/mol'), E0=(30.1213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_7R!H->Cl_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5974, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(0.915792,'m^3/(mol*s)'), n=2.34693, w0=(419.5,'kJ/mol'), E0=(10.5524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_N-7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-1R-R_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5975, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.2524,'m^3/(mol*s)'), n=2.13677, w0=(419.5,'kJ/mol'), E0=(2.59449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.521279602869599, var=1.1484152150716498, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.4581047806050758"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.4581047806050758""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.4581047806050758 +""", +) + +entry( + index = 5976, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.01152,'m^3/(mol*s)'), n=2.32465, w0=(419.5,'kJ/mol'), E0=(2.26229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43309781872463915, var=0.5406186434037269, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 2.5622024955468095"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.5622024955468095""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 2.5622024955468095 +""", +) + +entry( + index = 5977, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.430552,'m^3/(mol*s)'), n=2.45483, w0=(419.5,'kJ/mol'), E0=(5.20322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5978, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(6946,'m^3/(mol*s)'), n=0.953749, w0=(419.5,'kJ/mol'), E0=(19.9367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018396169613090565, var=0.2591328842416207, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 1.066733855978829"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 1.066733855978829""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 1.066733855978829 +""", +) + +entry( + index = 5979, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C_Ext-1R-R", + kinetics = ArrheniusBM(A=(1.6e+07,'m^3/(mol*s)'), n=5.32226e-08, w0=(419.5,'kJ/mol'), E0=(32.0451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C_Ext-1R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C_Ext-1R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C_Ext-1R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5980, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R", + kinetics = ArrheniusBM(A=(36.122,'m^3/(mol*s)'), n=1.99032, w0=(419.5,'kJ/mol'), E0=(4.07535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0027143438074994013, var=0.8055209276276843, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R + Total Standard Deviation in ln(k): 1.8060860838230957"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R +Total Standard Deviation in ln(k): 1.8060860838230957""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R +Total Standard Deviation in ln(k): 1.8060860838230957 +""", +) + +entry( + index = 5981, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(706.357,'m^3/(mol*s)'), n=1.65468, w0=(419.5,'kJ/mol'), E0=(13.9243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13469086177728212, var=0.24914258249296614, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 1.3390664180980356"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 1.3390664180980356""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 1.3390664180980356 +""", +) + +entry( + index = 5982, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(52.7395,'m^3/(mol*s)'), n=1.99385, w0=(419.5,'kJ/mol'), E0=(10.3096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22090757624796115, var=0.0651822422241772, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R + Total Standard Deviation in ln(k): 1.0668693290298417"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.0668693290298417""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 1.0668693290298417 +""", +) + +entry( + index = 5983, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.87733,'m^3/(mol*s)'), n=2.3002, w0=(419.5,'kJ/mol'), E0=(5.8237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_5BrCClINOPSSi->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5984, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(9.4824e+06,'m^3/(mol*s)'), n=5.98172e-05, w0=(419.5,'kJ/mol'), E0=(22.5562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028217870808687154, var=2.459744562362425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 3.2150400289499146"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 3.2150400289499146""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_Ext-1R-R_N-5R!H->F_N-Sp-5BrCClINOPSSi-1R_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 3.2150400289499146 +""", +) + +entry( + index = 5985, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_1R->C", + kinetics = ArrheniusBM(A=(9932.89,'m^3/(mol*s)'), n=0.8795, w0=(419.5,'kJ/mol'), E0=(16.1693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07381741307805509, var=0.491979815133787, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_1R->C + Total Standard Deviation in ln(k): 1.591617586873719"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_1R->C +Total Standard Deviation in ln(k): 1.591617586873719""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_1R->C +Total Standard Deviation in ln(k): 1.591617586873719 +""", +) + +entry( + index = 5986, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_N-1R->C", + kinetics = ArrheniusBM(A=(2.57331,'m^3/(mol*s)'), n=1.97733, w0=(443.5,'kJ/mol'), E0=(7.45347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01366067710870489, var=10.593372661611115, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_N-1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_N-1R->C + Total Standard Deviation in ln(k): 6.559227133718967"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_N-1R->C +Total Standard Deviation in ln(k): 6.559227133718967""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_4R!H->Cl_N-1R->C +Total Standard Deviation in ln(k): 6.559227133718967 +""", +) + +entry( + index = 5987, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl", + kinetics = ArrheniusBM(A=(1.74656e+07,'m^3/(mol*s)'), n=-0.0510682, w0=(421.543,'kJ/mol'), E0=(9.02991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06927378704545295, var=1.6042748730542693, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl + Total Standard Deviation in ln(k): 2.7132516467094194"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl +Total Standard Deviation in ln(k): 2.7132516467094194""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl +Total Standard Deviation in ln(k): 2.7132516467094194 +""", +) + +entry( + index = 5988, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O", + kinetics = ArrheniusBM(A=(5.76286e+12,'m^3/(mol*s)'), n=-1.69126, w0=(428.5,'kJ/mol'), E0=(26.6668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1043059010764417, var=5.563482954233578, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O + Total Standard Deviation in ln(k): 4.990651092090624"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O +Total Standard Deviation in ln(k): 4.990651092090624""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O +Total Standard Deviation in ln(k): 4.990651092090624 +""", +) + +entry( + index = 5989, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C", + kinetics = ArrheniusBM(A=(6.48137e+12,'m^3/(mol*s)'), n=-1.70605, w0=(419.5,'kJ/mol'), E0=(26.7792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10441036529837093, var=5.552890894092325, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C + Total Standard Deviation in ln(k): 4.986410161033764"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C +Total Standard Deviation in ln(k): 4.986410161033764""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C +Total Standard Deviation in ln(k): 4.986410161033764 +""", +) + +entry( + index = 5990, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.67653e+14,'m^3/(mol*s)'), n=-2.26708, w0=(419.5,'kJ/mol'), E0=(32.0689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12169981152238189, var=31.486439548277424, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.554904034119446"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.554904034119446""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.554904034119446 +""", +) + +entry( + index = 5991, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R", + kinetics = ArrheniusBM(A=(5.66718e+06,'m^3/(mol*s)'), n=-0.299345, w0=(419.5,'kJ/mol'), E0=(14.0707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.54880213656949, var=26.123403026759547, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R + Total Standard Deviation in ln(k): 19.163001467912867"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R +Total Standard Deviation in ln(k): 19.163001467912867""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R +Total Standard Deviation in ln(k): 19.163001467912867 +""", +) + +entry( + index = 5992, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_1C-inRing", + kinetics = ArrheniusBM(A=(1.70878e+07,'m^3/(mol*s)'), n=-1.44178e-07, w0=(419.5,'kJ/mol'), E0=(9.668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5993, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(499838,'m^3/(mol*s)'), n=-3.7056e-08, w0=(419.5,'kJ/mol'), E0=(11.0818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_N-1C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_N-1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-1C-R_Ext-4O-R_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5994, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-4O-R", + kinetics = ArrheniusBM(A=(1.76649e+07,'m^3/(mol*s)'), n=-1.29591e-09, w0=(419.5,'kJ/mol'), E0=(6.60499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_1R->C_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5995, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C", + kinetics = ArrheniusBM(A=(883.684,'m^3/(mol*s)'), n=1.34301, w0=(443.5,'kJ/mol'), E0=(28.9583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0076927478381243, var=2.145117969235349, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C + Total Standard Deviation in ln(k): 7.980633489545856"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C +Total Standard Deviation in ln(k): 7.980633489545856""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C +Total Standard Deviation in ln(k): 7.980633489545856 +""", +) + +entry( + index = 5996, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_4O-u0", + kinetics = ArrheniusBM(A=(5.2891,'m^3/(mol*s)'), n=2.01634, w0=(443.5,'kJ/mol'), E0=(23.3031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_4O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_4O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_4O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_4O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 5997, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_N-4O-u0", + kinetics = ArrheniusBM(A=(1.74298e+08,'m^3/(mol*s)'), n=-0.397244, w0=(443.5,'kJ/mol'), E0=(55.5558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007793129250124958, var=0.16731943141444977, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_N-4O-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_N-4O-u0 + Total Standard Deviation in ln(k): 0.8396115548069876"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_N-4O-u0 +Total Standard Deviation in ln(k): 0.8396115548069876""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_4BrCFNOS->O_N-1R->C_N-4O-u0 +Total Standard Deviation in ln(k): 0.8396115548069876 +""", +) + +entry( + index = 5998, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O", + kinetics = ArrheniusBM(A=(8.40097e+06,'m^3/(mol*s)'), n=0.0507452, w0=(420.115,'kJ/mol'), E0=(7.57008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06857957819647936, var=1.3510142978192274, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O + Total Standard Deviation in ln(k): 2.502477039530155"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O +Total Standard Deviation in ln(k): 2.502477039530155""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O +Total Standard Deviation in ln(k): 2.502477039530155 +""", +) + +entry( + index = 5999, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C", + kinetics = ArrheniusBM(A=(8.39882e+06,'m^3/(mol*s)'), n=0.050764, w0=(419.5,'kJ/mol'), E0=(7.56434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06855195543987254, var=1.3504414785627918, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C + Total Standard Deviation in ln(k): 2.501913597258348"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C +Total Standard Deviation in ln(k): 2.501913597258348""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C +Total Standard Deviation in ln(k): 2.501913597258348 +""", +) + +entry( + index = 6000, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_4BrCF->Br", + kinetics = ArrheniusBM(A=(5.28102e+07,'m^3/(mol*s)'), n=-0.30796, w0=(419.5,'kJ/mol'), E0=(15.7796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_4BrCF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_4BrCF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_4BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_4BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6001, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br", + kinetics = ArrheniusBM(A=(8.40571e+06,'m^3/(mol*s)'), n=0.0506632, w0=(419.5,'kJ/mol'), E0=(7.56572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06818960519913415, var=1.3520942117517327, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br + Total Standard Deviation in ln(k): 2.5024283144775796"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br +Total Standard Deviation in ln(k): 2.5024283144775796""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br +Total Standard Deviation in ln(k): 2.5024283144775796 +""", +) + +entry( + index = 6002, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.86351e+09,'m^3/(mol*s)'), n=-0.724954, w0=(419.5,'kJ/mol'), E0=(15.5731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16140842431906427, var=0.5042486570068372, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R + Total Standard Deviation in ln(k): 1.8291205660732124"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R +Total Standard Deviation in ln(k): 1.8291205660732124""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R +Total Standard Deviation in ln(k): 1.8291205660732124 +""", +) + +entry( + index = 6003, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_5R!H->O", + kinetics = ArrheniusBM(A=(4.81775e+07,'m^3/(mol*s)'), n=-1.13332e-09, w0=(419.5,'kJ/mol'), E0=(14.1267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.037123333445010884, var=0.0027585346780192, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_5R!H->O + Total Standard Deviation in ln(k): 0.19856691038215502"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_5R!H->O +Total Standard Deviation in ln(k): 0.19856691038215502""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_5R!H->O +Total Standard Deviation in ln(k): 0.19856691038215502 +""", +) + +entry( + index = 6004, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing", + kinetics = ArrheniusBM(A=(5.01941e+08,'m^3/(mol*s)'), n=-0.414965, w0=(419.5,'kJ/mol'), E0=(11.4683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13751657918689908, var=0.09191309754719228, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing + Total Standard Deviation in ln(k): 0.9532980437171935"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 0.9532980437171935""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing +Total Standard Deviation in ln(k): 0.9532980437171935 +""", +) + +entry( + index = 6005, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R", + kinetics = ArrheniusBM(A=(2.40247e+08,'m^3/(mol*s)'), n=-0.294828, w0=(419.5,'kJ/mol'), E0=(12.6849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17209595360782012, var=0.11613391497765199, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R + Total Standard Deviation in ln(k): 1.1155840624918865"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R +Total Standard Deviation in ln(k): 1.1155840624918865""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R +Total Standard Deviation in ln(k): 1.1155840624918865 +""", +) + +entry( + index = 6006, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.32101e+08,'m^3/(mol*s)'), n=-0.471385, w0=(419.5,'kJ/mol'), E0=(12.7403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0832148989288777, var=0.5234159365739496, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.6594581780891584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6594581780891584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6594581780891584 +""", +) + +entry( + index = 6007, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.20945e+07,'m^3/(mol*s)'), n=1.96811e-09, w0=(419.5,'kJ/mol'), E0=(3.85299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_1C-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6008, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing", + kinetics = ArrheniusBM(A=(1.42907e+09,'m^3/(mol*s)'), n=-0.537338, w0=(419.5,'kJ/mol'), E0=(13.1546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23767145340992255, var=1.1045758520827544, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing + Total Standard Deviation in ln(k): 2.704117037749831"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 2.704117037749831""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing +Total Standard Deviation in ln(k): 2.704117037749831 +""", +) + +entry( + index = 6009, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C", + kinetics = ArrheniusBM(A=(7.56345e-09,'m^3/(mol*s)'), n=4.75512, w0=(419.5,'kJ/mol'), E0=(-16.8555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3863498762622314, var=1.7455879986706282, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C + Total Standard Deviation in ln(k): 3.619398396618397"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C +Total Standard Deviation in ln(k): 3.619398396618397""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C +Total Standard Deviation in ln(k): 3.619398396618397 +""", +) + +entry( + index = 6010, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.45253e-09,'m^3/(mol*s)'), n=4.82622, w0=(419.5,'kJ/mol'), E0=(-16.8987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09621727684229904, var=4.384353053632081, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.439436018115451"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.439436018115451""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.439436018115451 +""", +) + +entry( + index = 6011, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.00285334,'m^3/(mol*s)'), n=3.21428, w0=(419.5,'kJ/mol'), E0=(0.350915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0903916701743592, var=1.4553894992892906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 2.6456176241139158"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 2.6456176241139158""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 2.6456176241139158 +""", +) + +entry( + index = 6012, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl", + kinetics = ArrheniusBM(A=(0.151721,'m^3/(mol*s)'), n=2.73422, w0=(419.5,'kJ/mol'), E0=(5.08618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6013, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl", + kinetics = ArrheniusBM(A=(0.0582434,'m^3/(mol*s)'), n=2.82461, w0=(419.5,'kJ/mol'), E0=(9.94289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_5R!H->C_Ext-5C-R_N-7R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6014, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0635472,'m^3/(mol*s)'), n=2.6728, w0=(419.5,'kJ/mol'), E0=(17.5429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF->C_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6015, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing", + kinetics = ArrheniusBM(A=(81754,'m^3/(mol*s)'), n=1.24248, w0=(419.5,'kJ/mol'), E0=(26.9423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04008819046616212, var=0.03493137523639567, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing + Total Standard Deviation in ln(k): 0.47540782354559924"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing +Total Standard Deviation in ln(k): 0.47540782354559924""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing +Total Standard Deviation in ln(k): 0.47540782354559924 +""", +) + +entry( + index = 6016, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(319174,'m^3/(mol*s)'), n=1.073, w0=(419.5,'kJ/mol'), E0=(29.951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_4CF-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6017, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing", + kinetics = ArrheniusBM(A=(5.42593e+08,'m^3/(mol*s)'), n=-0.418609, w0=(419.5,'kJ/mol'), E0=(11.8482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2156228732066474, var=1.1161670019272403, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing + Total Standard Deviation in ln(k): 2.6597446677898535"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing +Total Standard Deviation in ln(k): 2.6597446677898535""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing +Total Standard Deviation in ln(k): 2.6597446677898535 +""", +) + +entry( + index = 6018, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R", + kinetics = ArrheniusBM(A=(4.52534e+09,'m^3/(mol*s)'), n=-0.678353, w0=(419.5,'kJ/mol'), E0=(14.4459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23018613120048004, var=2.28357264584152, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R + Total Standard Deviation in ln(k): 3.6078114136212918"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R +Total Standard Deviation in ln(k): 3.6078114136212918""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R +Total Standard Deviation in ln(k): 3.6078114136212918 +""", +) + +entry( + index = 6019, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.84569e+06,'m^3/(mol*s)'), n=-3.88831e-05, w0=(419.5,'kJ/mol'), E0=(7.64685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7302379496594452, var=1.3528671490678994, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.166532567587515"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.166532567587515""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.166532567587515 +""", +) + +entry( + index = 6020, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.88901e+06,'m^3/(mol*s)'), n=1.29878e-09, w0=(419.5,'kJ/mol'), E0=(7.65338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6021, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.13283e+07,'m^3/(mol*s)'), n=0.00113883, w0=(419.5,'kJ/mol'), E0=(8.03674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10326089210059815, var=10.603796476684204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.787562745802745"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.787562745802745""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.787562745802745 +""", +) + +entry( + index = 6022, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.99676e+06,'m^3/(mol*s)'), n=-5.00022e-08, w0=(419.5,'kJ/mol'), E0=(8.05045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-4CF-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6023, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.69824e+07,'m^3/(mol*s)'), n=9.56774e-08, w0=(419.5,'kJ/mol'), E0=(6.98576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_Ext-1C-R_N-1C-inRing_N-4CF-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6024, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C", + kinetics = ArrheniusBM(A=(89075.7,'m^3/(mol*s)'), n=0.557589, w0=(419.5,'kJ/mol'), E0=(0.037252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022689385302599837, var=0.9748840288471777, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C + Total Standard Deviation in ln(k): 2.0364080557828728"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C +Total Standard Deviation in ln(k): 2.0364080557828728""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C +Total Standard Deviation in ln(k): 2.0364080557828728 +""", +) + +entry( + index = 6025, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_4C-inRing", + kinetics = ArrheniusBM(A=(319174,'m^3/(mol*s)'), n=1.073, w0=(419.5,'kJ/mol'), E0=(25.8521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6026, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(89320.1,'m^3/(mol*s)'), n=0.556855, w0=(419.5,'kJ/mol'), E0=(0.0687501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02289208238115277, var=0.9652019643830547, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing + Total Standard Deviation in ln(k): 2.027063611174034"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing +Total Standard Deviation in ln(k): 2.027063611174034""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing +Total Standard Deviation in ln(k): 2.027063611174034 +""", +) + +entry( + index = 6027, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(83264.8,'m^3/(mol*s)'), n=0.553864, w0=(419.5,'kJ/mol'), E0=(0.0180911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02624389848815034, var=0.9780347787038601, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 2.048535046372599"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 2.048535046372599""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 2.048535046372599 +""", +) + +entry( + index = 6028, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O", + kinetics = ArrheniusBM(A=(22229.2,'m^3/(mol*s)'), n=0.638228, w0=(419.5,'kJ/mol'), E0=(0.133985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.543106556577433, var=9.362604008945958, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O + Total Standard Deviation in ln(k): 7.498752408407684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O +Total Standard Deviation in ln(k): 7.498752408407684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O +Total Standard Deviation in ln(k): 7.498752408407684 +""", +) + +entry( + index = 6029, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.50554e+06,'m^3/(mol*s)'), n=-4.37745e-08, w0=(419.5,'kJ/mol'), E0=(14.6611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_5R!H->O_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6030, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(115812,'m^3/(mol*s)'), n=0.532787, w0=(419.5,'kJ/mol'), E0=(0.419421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026777089056504427, var=0.9945348974617039, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O + Total Standard Deviation in ln(k): 2.0665286492101105"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O +Total Standard Deviation in ln(k): 2.0665286492101105""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O +Total Standard Deviation in ln(k): 2.0665286492101105 +""", +) + +entry( + index = 6031, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", + kinetics = ArrheniusBM(A=(2.83041,'m^3/(mol*s)'), n=2, w0=(419.5,'kJ/mol'), E0=(20.6908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6032, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C", + kinetics = ArrheniusBM(A=(1.91973e+07,'m^3/(mol*s)'), n=-0.123946, w0=(419.5,'kJ/mol'), E0=(6.94739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00899094806461478, var=0.8256444933438247, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C + Total Standard Deviation in ln(k): 1.8441924867394146"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 1.8441924867394146""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C +Total Standard Deviation in ln(k): 1.8441924867394146 +""", +) + +entry( + index = 6033, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(9.79899,'m^3/(mol*s)'), n=2.09367, w0=(419.5,'kJ/mol'), E0=(5.77666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002107125453433626, var=0.44910945917068057, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C + Total Standard Deviation in ln(k): 1.3487801161480846"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C +Total Standard Deviation in ln(k): 1.3487801161480846""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C +Total Standard Deviation in ln(k): 1.3487801161480846 +""", +) + +entry( + index = 6034, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.40594,'m^3/(mol*s)'), n=2.4651, w0=(419.5,'kJ/mol'), E0=(2.39313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018775043191048547, var=0.009665660871951675, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R + Total Standard Deviation in ln(k): 0.24426718608702688"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 0.24426718608702688""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R +Total Standard Deviation in ln(k): 0.24426718608702688 +""", +) + +entry( + index = 6035, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.66667e+07,'m^3/(mol*s)'), n=2.02336e-08, w0=(419.5,'kJ/mol'), E0=(7.25745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-5BrCClFINPSSi->C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6036, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(7.75459e+06,'m^3/(mol*s)'), n=0.0688158, w0=(419.5,'kJ/mol'), E0=(5.80672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12037827827977267, var=0.03305769871618455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R + Total Standard Deviation in ln(k): 0.6669544315602873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R +Total Standard Deviation in ln(k): 0.6669544315602873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R +Total Standard Deviation in ln(k): 0.6669544315602873 +""", +) + +entry( + index = 6037, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.40015e+07,'m^3/(mol*s)'), n=7.55504e-08, w0=(419.5,'kJ/mol'), E0=(7.14517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6038, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C", + kinetics = ArrheniusBM(A=(881760,'m^3/(mol*s)'), n=0.208671, w0=(419.5,'kJ/mol'), E0=(0.0576141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019772834539333768, var=1.2341421337479634, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C + Total Standard Deviation in ln(k): 2.27677977704043"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C +Total Standard Deviation in ln(k): 2.27677977704043""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C +Total Standard Deviation in ln(k): 2.27677977704043 +""", +) + +entry( + index = 6039, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(527473,'m^3/(mol*s)'), n=0.249216, w0=(419.5,'kJ/mol'), E0=(0.0453375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01712956838540053, var=1.5983415275227721, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R + Total Standard Deviation in ln(k): 2.5775361139363553"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 2.5775361139363553""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 2.5775361139363553 +""", +) + +entry( + index = 6040, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.56823e+06,'m^3/(mol*s)'), n=-1.80038e-06, w0=(419.5,'kJ/mol'), E0=(6.27141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07405356075902221, var=0.0003179845856343711, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.2218129040868762"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.2218129040868762""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.2218129040868762 +""", +) + +entry( + index = 6041, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.64974e+06,'m^3/(mol*s)'), n=-3.97296e-08, w0=(419.5,'kJ/mol'), E0=(6.51372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_Sp-5BrCClFINPSSi-4C_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6042, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-Sp-5BrCClFINPSSi-4C", + kinetics = ArrheniusBM(A=(9.83618e+06,'m^3/(mol*s)'), n=-1.32634e-07, w0=(419.5,'kJ/mol'), E0=(19.0344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-Sp-5BrCClFINPSSi-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-Sp-5BrCClFINPSSi-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-Sp-5BrCClFINPSSi-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_4CF->C_N-4C-inRing_Ext-4C-R_N-5R!H->O_N-Sp-5BrBrBrCCCClClClFFFIIINNNPPPSSSSiSiSi#4C_N-Sp-5BrCClFINPSSi-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6043, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_N-4CF->C", + kinetics = ArrheniusBM(A=(0.224166,'m^3/(mol*s)'), n=2.62179, w0=(419.5,'kJ/mol'), E0=(-2.67265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_N-4CF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_N-4CF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_N-4CF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_1R->C_N-4BrCF->Br_N-4CF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6044, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_N-1R->C", + kinetics = ArrheniusBM(A=(0.000114787,'m^3/(mol*s)'), n=3.27846, w0=(443.5,'kJ/mol'), E0=(8.71144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_3BrClHINOS->Cl_N-4R!H->Cl_N-4BrCFNOS->O_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6045, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl", + kinetics = ArrheniusBM(A=(619.556,'m^3/(mol*s)'), n=1.19797, w0=(413.898,'kJ/mol'), E0=(39.0553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10220237323036518, var=7.3965703583272795, Tref=1000.0, N=997, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl',), comment="""BM rule fitted to 997 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl + Total Standard Deviation in ln(k): 5.7089949963751465"""), + rank = 11, + shortDesc = """BM rule fitted to 997 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl +Total Standard Deviation in ln(k): 5.7089949963751465""", + longDesc = +""" +BM rule fitted to 997 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl +Total Standard Deviation in ln(k): 5.7089949963751465 +""", +) + +entry( + index = 6046, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S", + kinetics = ArrheniusBM(A=(17600.3,'m^3/(mol*s)'), n=0.960601, w0=(369,'kJ/mol'), E0=(42.1398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1960164420421295, var=12.826133124931408, Tref=1000.0, N=70, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S',), comment="""BM rule fitted to 70 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S + Total Standard Deviation in ln(k): 7.67217986982008"""), + rank = 11, + shortDesc = """BM rule fitted to 70 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S +Total Standard Deviation in ln(k): 7.67217986982008""", + longDesc = +""" +BM rule fitted to 70 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S +Total Standard Deviation in ln(k): 7.67217986982008 +""", +) + +entry( + index = 6047, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S", + kinetics = ArrheniusBM(A=(543010,'m^3/(mol*s)'), n=0.500365, w0=(363,'kJ/mol'), E0=(40.3444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09121344850906363, var=11.714060868977324, Tref=1000.0, N=59, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S',), comment="""BM rule fitted to 59 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S + Total Standard Deviation in ln(k): 7.090547753820721"""), + rank = 11, + shortDesc = """BM rule fitted to 59 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S +Total Standard Deviation in ln(k): 7.090547753820721""", + longDesc = +""" +BM rule fitted to 59 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S +Total Standard Deviation in ln(k): 7.090547753820721 +""", +) + +entry( + index = 6048, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C", + kinetics = ArrheniusBM(A=(736255,'m^3/(mol*s)'), n=0.489101, w0=(363,'kJ/mol'), E0=(41.8158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00546774549815122, var=7.84296517308854, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C + Total Standard Deviation in ln(k): 5.628057667960018"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C +Total Standard Deviation in ln(k): 5.628057667960018""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C +Total Standard Deviation in ln(k): 5.628057667960018 +""", +) + +entry( + index = 6049, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0", + kinetics = ArrheniusBM(A=(131.061,'m^3/(mol*s)'), n=1.59829, w0=(363,'kJ/mol'), E0=(26.752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20098952047820948, var=6.0577809741350155, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0 + Total Standard Deviation in ln(k): 5.439164982562051"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0 +Total Standard Deviation in ln(k): 5.439164982562051""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0 +Total Standard Deviation in ln(k): 5.439164982562051 +""", +) + +entry( + index = 6050, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1", + kinetics = ArrheniusBM(A=(133828,'m^3/(mol*s)'), n=0.710536, w0=(363,'kJ/mol'), E0=(38.3899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3307476475389182, var=8.33541846214076, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1 + Total Standard Deviation in ln(k): 6.618919897603274"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1 +Total Standard Deviation in ln(k): 6.618919897603274""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1 +Total Standard Deviation in ln(k): 6.618919897603274 +""", +) + +entry( + index = 6051, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R", + kinetics = ArrheniusBM(A=(72442.6,'m^3/(mol*s)'), n=0.713022, w0=(363,'kJ/mol'), E0=(37.6198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14875082658383357, var=23.787641129962847, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R + Total Standard Deviation in ln(k): 10.151355071156955"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R +Total Standard Deviation in ln(k): 10.151355071156955""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R +Total Standard Deviation in ln(k): 10.151355071156955 +""", +) + +entry( + index = 6052, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00614411,'m^3/(mol*s)'), n=2.924, w0=(363,'kJ/mol'), E0=(8.62565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07886419106288009, var=2.4266583113376363, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_5R!H-inRing + Total Standard Deviation in ln(k): 3.321074433811829"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.321074433811829""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.321074433811829 +""", +) + +entry( + index = 6053, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(765758,'m^3/(mol*s)'), n=0.409964, w0=(363,'kJ/mol'), E0=(40.9264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.651486011354223, var=30.93261493322353, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 12.786654078228842"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 12.786654078228842""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 12.786654078228842 +""", +) + +entry( + index = 6054, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.7695e+11,'m^3/(mol*s)'), n=-1.89629, w0=(363,'kJ/mol'), E0=(60.3855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24411855894374446, var=257.1918855854411, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 32.763706955971024"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 32.763706955971024""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 32.763706955971024 +""", +) + +entry( + index = 6055, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000908163,'m^3/(mol*s)'), n=2.95534, w0=(363,'kJ/mol'), E0=(14.1838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6056, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(3.65148e-06,'m^3/(mol*s)'), n=2.72618, w0=(363,'kJ/mol'), E0=(15.5052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12948068550045583, var=750.981095978368, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 55.26315718114754"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 55.26315718114754""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 55.26315718114754 +""", +) + +entry( + index = 6057, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0", + kinetics = ArrheniusBM(A=(14.5457,'m^3/(mol*s)'), n=1.80546, w0=(363,'kJ/mol'), E0=(20.3836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0754365265229176, var=0.9790106860087859, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0 + Total Standard Deviation in ln(k): 2.1731235091519676"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0 +Total Standard Deviation in ln(k): 2.1731235091519676""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0 +Total Standard Deviation in ln(k): 2.1731235091519676 +""", +) + +entry( + index = 6058, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_5R!H->C", + kinetics = ArrheniusBM(A=(0.0115737,'m^3/(mol*s)'), n=2.8129, w0=(363,'kJ/mol'), E0=(16.5999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11302375793099628, var=2.823129713503087, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_5R!H->C + Total Standard Deviation in ln(k): 3.652369574792243"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 3.652369574792243""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 3.652369574792243 +""", +) + +entry( + index = 6059, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.000113,'m^3/(mol*s)'), n=3.15, w0=(363,'kJ/mol'), E0=(1.6736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1649348980189535e-15, var=3.9448591939290246e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_N-5R!H->C + Total Standard Deviation in ln(k): 4.525692066708887e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 4.525692066708887e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_5R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 4.525692066708887e-14 +""", +) + +entry( + index = 6060, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_N-5R!H-u0", + kinetics = ArrheniusBM(A=(0.29696,'m^3/(mol*s)'), n=2.301, w0=(363,'kJ/mol'), E0=(-38.9099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_3S-u1_Ext-3S-R_N-5R!H-inRing_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6061, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_N-3S-u1", + kinetics = ArrheniusBM(A=(1.04464,'m^3/(mol*s)'), n=2.25976, w0=(363,'kJ/mol'), E0=(5.94128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_N-3S-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_N-3S-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_4S-u0_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6062, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0", + kinetics = ArrheniusBM(A=(1.50153e+14,'m^3/(mol*s)'), n=-1.95014, w0=(363,'kJ/mol'), E0=(72.2366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21082122008549037, var=45.49700859895201, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0 + Total Standard Deviation in ln(k): 14.051934432421865"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0 +Total Standard Deviation in ln(k): 14.051934432421865""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0 +Total Standard Deviation in ln(k): 14.051934432421865 +""", +) + +entry( + index = 6063, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_3S-u1", + kinetics = ArrheniusBM(A=(0.00330646,'m^3/(mol*s)'), n=2.55632, w0=(363,'kJ/mol'), E0=(9.28011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_3S-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_3S-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6064, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_N-3S-u1", + kinetics = ArrheniusBM(A=(43.5764,'m^3/(mol*s)'), n=1.90801, w0=(363,'kJ/mol'), E0=(25.899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_N-3S-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_N-3S-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_N-4R!H->C_N-4S-u0_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6065, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0407926,'m^3/(mol*s)'), n=2.4322, w0=(363,'kJ/mol'), E0=(16.1083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016172754341950014, var=34.80387058682542, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.867530628755583"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.867530628755583""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.867530628755583 +""", +) + +entry( + index = 6066, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(7.77135e-12,'m^3/(mol*s)'), n=5.44516, w0=(363,'kJ/mol'), E0=(-14.8488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010039011044192823, var=1.6038451707918218, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 2.564080468695198"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 2.564080468695198""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 2.564080468695198 +""", +) + +entry( + index = 6067, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R", + kinetics = ArrheniusBM(A=(3.64521e-12,'m^3/(mol*s)'), n=5.54931, w0=(363,'kJ/mol'), E0=(-17.3732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05940928702044185, var=1.450166938410421, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R + Total Standard Deviation in ln(k): 2.563429228392177"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R +Total Standard Deviation in ln(k): 2.563429228392177""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R +Total Standard Deviation in ln(k): 2.563429228392177 +""", +) + +entry( + index = 6068, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C", + kinetics = ArrheniusBM(A=(5.12849e-05,'m^3/(mol*s)'), n=3.50752, w0=(363,'kJ/mol'), E0=(-3.54391e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010782249145987232, var=0.9110885781370891, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C + Total Standard Deviation in ln(k): 1.9406299568130971"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 1.9406299568130971""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 1.9406299568130971 +""", +) + +entry( + index = 6069, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(0.00681302,'m^3/(mol*s)'), n=2.90667, w0=(363,'kJ/mol'), E0=(1.7646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6070, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(3.34514e-05,'m^3/(mol*s)'), n=3.54506, w0=(363,'kJ/mol'), E0=(-4.03633e-06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.046649882260718215, var=1.0306380640758166, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 2.152424745296941"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.152424745296941""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 2.152424745296941 +""", +) + +entry( + index = 6071, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R", + kinetics = ArrheniusBM(A=(1.52909e-07,'m^3/(mol*s)'), n=4.31952, w0=(363,'kJ/mol'), E0=(-1.19729e-05,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4343188198328151, var=5.2464640797573345, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R + Total Standard Deviation in ln(k): 5.683131320164322"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 5.683131320164322""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R +Total Standard Deviation in ln(k): 5.683131320164322 +""", +) + +entry( + index = 6072, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_Sp-7R!H=6C", + kinetics = ArrheniusBM(A=(0.000275,'m^3/(mol*s)'), n=3.15, w0=(363,'kJ/mol'), E0=(19.1242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_Sp-7R!H=6C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_Sp-7R!H=6C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_Sp-7R!H=6C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_Sp-7R!H=6C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6073, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-Sp-7R!H=6C", + kinetics = ArrheniusBM(A=(0.00421,'m^3/(mol*s)'), n=3.15, w0=(363,'kJ/mol'), E0=(12.1336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.6090241078691518e-15, var=1.1907485585761911e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-Sp-7R!H=6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-Sp-7R!H=6C + Total Standard Deviation in ln(k): 2.843129196983894e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-Sp-7R!H=6C +Total Standard Deviation in ln(k): 2.843129196983894e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_6R!H->C_N-6C-inRing_Ext-6C-R_N-Sp-7R!H=6C +Total Standard Deviation in ln(k): 2.843129196983894e-14 +""", +) + +entry( + index = 6074, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.000351,'m^3/(mol*s)'), n=3.15, w0=(363,'kJ/mol'), E0=(23.1686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_Sp-5R!H#4R!H_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6075, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(66.9611,'m^3/(mol*s)'), n=1.44448, w0=(363,'kJ/mol'), E0=(24.2221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17970220632025216, var=42.706178453214775, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 13.552449672421208"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 13.552449672421208""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 13.552449672421208 +""", +) + +entry( + index = 6076, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(96.5633,'m^3/(mol*s)'), n=1.39878, w0=(363,'kJ/mol'), E0=(27.6948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19750910645629094, var=29.855344517408923, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.450135399689982"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.450135399689982""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.450135399689982 +""", +) + +entry( + index = 6077, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R", + kinetics = ArrheniusBM(A=(6005.71,'m^3/(mol*s)'), n=0.864017, w0=(363,'kJ/mol'), E0=(29.7637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21164220326306435, var=35.37578773364445, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R + Total Standard Deviation in ln(k): 12.455437105626036"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 12.455437105626036""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 12.455437105626036 +""", +) + +entry( + index = 6078, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C", + kinetics = ArrheniusBM(A=(3855.36,'m^3/(mol*s)'), n=0.864599, w0=(363,'kJ/mol'), E0=(28.5683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2429896377005465, var=47.2337235571848, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C + Total Standard Deviation in ln(k): 14.388428404151016"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 14.388428404151016""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 14.388428404151016 +""", +) + +entry( + index = 6079, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(2577.73,'m^3/(mol*s)'), n=0.833869, w0=(363,'kJ/mol'), E0=(28.4113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3704875683071358, var=68.21275562681772, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 17.488183534077763"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 17.488183534077763""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 17.488183534077763 +""", +) + +entry( + index = 6080, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(8.71105e-07,'m^3/(mol*s)'), n=2.91148, w0=(363,'kJ/mol'), E0=(3.71189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3087475853263824, var=617.3934378550754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C + Total Standard Deviation in ln(k): 50.588208159185484"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 50.588208159185484""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_Sp-7R!H#6C +Total Standard Deviation in ln(k): 50.588208159185484 +""", +) + +entry( + index = 6081, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C", + kinetics = ArrheniusBM(A=(187.694,'m^3/(mol*s)'), n=1.47787, w0=(363,'kJ/mol'), E0=(24.4097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14797940847040658, var=16.89886506544445, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C + Total Standard Deviation in ln(k): 8.612918460199667"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 8.612918460199667""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C +Total Standard Deviation in ln(k): 8.612918460199667 +""", +) + +entry( + index = 6082, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing", + kinetics = ArrheniusBM(A=(0.000189,'m^3/(mol*s)'), n=3.15, w0=(363,'kJ/mol'), E0=(12.1336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.220446049250379e-15, var=2.5647840180998267e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing + Total Standard Deviation in ln(k): 3.768472832608471e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 3.768472832608471e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_6C-inRing +Total Standard Deviation in ln(k): 3.768472832608471e-14 +""", +) + +entry( + index = 6083, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing", + kinetics = ArrheniusBM(A=(0.0314352,'m^3/(mol*s)'), n=2.60584, w0=(363,'kJ/mol'), E0=(1.39692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07787255240384497, var=78.7422063770162, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing + Total Standard Deviation in ln(k): 17.985038329299993"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 17.985038329299993""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_6R!H->C_Ext-6C-R_N-Sp-7R!H#6C_N-6C-inRing +Total Standard Deviation in ln(k): 17.985038329299993 +""", +) + +entry( + index = 6084, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.000218333,'m^3/(mol*s)'), n=3.21371, w0=(363,'kJ/mol'), E0=(5.69134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19942557741854702, var=2.47344577582288, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 3.6539546968943"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.6539546968943""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.6539546968943 +""", +) + +entry( + index = 6085, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(17.6801,'m^3/(mol*s)'), n=1.61033, w0=(363,'kJ/mol'), E0=(19.1782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32407773048633665, var=68.74277459960655, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 17.435777291801838"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 17.435777291801838""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 17.435777291801838 +""", +) + +entry( + index = 6086, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R", + kinetics = ArrheniusBM(A=(0.0159094,'m^3/(mol*s)'), n=2.4548, w0=(363,'kJ/mol'), E0=(-6.86977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02016362923784562, var=77.37470219703685, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R + Total Standard Deviation in ln(k): 17.684891725030415"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 17.684891725030415""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 17.684891725030415 +""", +) + +entry( + index = 6087, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(86.277,'m^3/(mol*s)'), n=1.34783, w0=(363,'kJ/mol'), E0=(16.3746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27576228217912985, var=104.44724681561324, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 21.181149443192943"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 21.181149443192943""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 21.181149443192943 +""", +) + +entry( + index = 6088, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.95822e-15,'m^3/(mol*s)'), n=5.83647, w0=(363,'kJ/mol'), E0=(-52.5745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38894618947573883, var=353.29390917321615, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 38.65848119599764"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 38.65848119599764""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 38.65848119599764 +""", +) + +entry( + index = 6089, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000789,'m^3/(mol*s)'), n=3.15, w0=(363,'kJ/mol'), E0=(7.9496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.0531133177191663e-15, var=3.654028364886993e-29, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.9789473781944252e-14"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.9789473781944252e-14""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.9789473781944252e-14 +""", +) + +entry( + index = 6090, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0412268,'m^3/(mol*s)'), n=1.48324, w0=(363,'kJ/mol'), E0=(0.286021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6991276397291702, var=1150.0787552790796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 69.7428040529584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 69.7428040529584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 69.7428040529584 +""", +) + +entry( + index = 6091, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_6R!H->C", + kinetics = ArrheniusBM(A=(0.00589478,'m^3/(mol*s)'), n=2.8692, w0=(363,'kJ/mol'), E0=(16.9908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39213894714763275, var=96.51988197117403, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_6R!H->C + Total Standard Deviation in ln(k): 20.680699814647582"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_6R!H->C +Total Standard Deviation in ln(k): 20.680699814647582""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_6R!H->C +Total Standard Deviation in ln(k): 20.680699814647582 +""", +) + +entry( + index = 6092, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.6979e+10,'m^3/(mol*s)'), n=-0.995742, w0=(363,'kJ/mol'), E0=(11.4449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3981523921248524, var=249.49561584685551, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_N-6R!H->C + Total Standard Deviation in ln(k): 32.66603592011078"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 32.66603592011078""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing_Ext-3S-R_N-6R!H-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 32.66603592011078 +""", +) + +entry( + index = 6093, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R", + kinetics = ArrheniusBM(A=(1.21127e-09,'m^3/(mol*s)'), n=4.57146, w0=(363,'kJ/mol'), E0=(-18.8896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21656985265245657, var=47.59248376465365, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R + Total Standard Deviation in ln(k): 14.374272563323059"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R +Total Standard Deviation in ln(k): 14.374272563323059""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R +Total Standard Deviation in ln(k): 14.374272563323059 +""", +) + +entry( + index = 6094, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.000276732,'m^3/(mol*s)'), n=3.21137, w0=(363,'kJ/mol'), E0=(1.52949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14247793054753824, var=0.07483722471738759, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_5R!H-inRing + Total Standard Deviation in ln(k): 0.9064079598724704"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_5R!H-inRing +Total Standard Deviation in ln(k): 0.9064079598724704""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_5R!H-inRing +Total Standard Deviation in ln(k): 0.9064079598724704 +""", +) + +entry( + index = 6095, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(2.94535e-13,'m^3/(mol*s)'), n=5.56313, w0=(363,'kJ/mol'), E0=(-30.0947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2801505078239346, var=67.64520378251575, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 17.19218107156464"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 17.19218107156464""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 17.19218107156464 +""", +) + +entry( + index = 6096, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C", + kinetics = ArrheniusBM(A=(9.82904e-25,'m^3/(mol*s)'), n=8.77898, w0=(363,'kJ/mol'), E0=(-61.9407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37936782799806124, var=137.17869011606984, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C + Total Standard Deviation in ln(k): 24.433305663274332"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 24.433305663274332""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 24.433305663274332 +""", +) + +entry( + index = 6097, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.78137e-21,'m^3/(mol*s)'), n=7.62013, w0=(363,'kJ/mol'), E0=(-63.0908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25714933194203665, var=250.2226454299786, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 32.357860128417954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 32.357860128417954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 32.357860128417954 +""", +) + +entry( + index = 6098, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(0.000207262,'m^3/(mol*s)'), n=3.4308, w0=(363,'kJ/mol'), E0=(16.0988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11444505530548144, var=95.41969732439524, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_Sp-6R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_Sp-6R!H=5C + Total Standard Deviation in ln(k): 19.870405322670965"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 19.870405322670965""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_Sp-6R!H=5C +Total Standard Deviation in ln(k): 19.870405322670965 +""", +) + +entry( + index = 6099, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C", + kinetics = ArrheniusBM(A=(6.37477e-07,'m^3/(mol*s)'), n=2.86092, w0=(363,'kJ/mol'), E0=(6.8311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17319263171272328, var=649.8335305769139, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C + Total Standard Deviation in ln(k): 51.539528416348816"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 51.539528416348816""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_5R!H->C_Ext-5C-R_N-Sp-6R!H=5C +Total Standard Deviation in ln(k): 51.539528416348816 +""", +) + +entry( + index = 6100, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00011036,'m^3/(mol*s)'), n=3.32375, w0=(363,'kJ/mol'), E0=(13.5407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3479711487041199, var=2.887327516026767, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_N-5R!H->C + Total Standard Deviation in ln(k): 4.280772864428321"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 4.280772864428321""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_3BrHINOS->S_Ext-3S-R_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 4.280772864428321 +""", +) + +entry( + index = 6101, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S", + kinetics = ArrheniusBM(A=(21643.9,'m^3/(mol*s)'), n=0.967212, w0=(401.182,'kJ/mol'), E0=(48.91,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15988143125151005, var=32.175966146342596, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S + Total Standard Deviation in ln(k): 11.773343893372875"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S +Total Standard Deviation in ln(k): 11.773343893372875""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S +Total Standard Deviation in ln(k): 11.773343893372875 +""", +) + +entry( + index = 6102, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C", + kinetics = ArrheniusBM(A=(2.63715e+13,'m^3/(mol*s)'), n=-1.57675, w0=(402,'kJ/mol'), E0=(72.2243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20434763099850653, var=26.641406799877853, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C + Total Standard Deviation in ln(k): 10.860939388420888"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C +Total Standard Deviation in ln(k): 10.860939388420888""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C +Total Standard Deviation in ln(k): 10.860939388420888 +""", +) + +entry( + index = 6103, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(31.5063,'m^3/(mol*s)'), n=2.13536, w0=(397.5,'kJ/mol'), E0=(15.2938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08761501076047633, var=0.3909191868701736, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 1.473569365953437"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.473569365953437""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.473569365953437 +""", +) + +entry( + index = 6104, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_Sp-5R!H#4C", + kinetics = ArrheniusBM(A=(936.753,'m^3/(mol*s)'), n=1.74604, w0=(397.5,'kJ/mol'), E0=(16.4567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_Sp-5R!H#4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_Sp-5R!H#4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_Sp-5R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_Sp-5R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6105, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C", + kinetics = ArrheniusBM(A=(10.17,'m^3/(mol*s)'), n=2.26514, w0=(397.5,'kJ/mol'), E0=(14.9062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07531816287003171, var=0.05837867956888036, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C + Total Standard Deviation in ln(k): 0.6736192958324544"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C +Total Standard Deviation in ln(k): 0.6736192958324544""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C +Total Standard Deviation in ln(k): 0.6736192958324544 +""", +) + +entry( + index = 6106, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_4C-inRing", + kinetics = ArrheniusBM(A=(1.4254,'m^3/(mol*s)'), n=2.52468, w0=(397.5,'kJ/mol'), E0=(19.2945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6107, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing", + kinetics = ArrheniusBM(A=(27.1654,'m^3/(mol*s)'), n=2.13536, w0=(397.5,'kJ/mol'), E0=(12.712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08761501159700862, var=0.055762664417818644, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing + Total Standard Deviation in ln(k): 0.693538758802559"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing +Total Standard Deviation in ln(k): 0.693538758802559""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing +Total Standard Deviation in ln(k): 0.693538758802559 +""", +) + +entry( + index = 6108, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_5R!H->C", + kinetics = ArrheniusBM(A=(3.8752,'m^3/(mol*s)'), n=2.42735, w0=(397.5,'kJ/mol'), E0=(10.9234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6109, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_N-5R!H->C", + kinetics = ArrheniusBM(A=(190.431,'m^3/(mol*s)'), n=1.84337, w0=(397.5,'kJ/mol'), E0=(14.5007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-4C-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6110, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O", + kinetics = ArrheniusBM(A=(3.23239e+17,'m^3/(mol*s)'), n=-2.83268, w0=(411,'kJ/mol'), E0=(93.4288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4023173049611184, var=45.20970333036762, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O + Total Standard Deviation in ln(k): 17.002880360798212"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O +Total Standard Deviation in ln(k): 17.002880360798212""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O +Total Standard Deviation in ln(k): 17.002880360798212 +""", +) + +entry( + index = 6111, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(5.33266e+09,'m^3/(mol*s)'), n=-0.616639, w0=(411,'kJ/mol'), E0=(80.8306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7364465774135022, var=102.34348495145497, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R + Total Standard Deviation in ln(k): 22.131262045661312"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 22.131262045661312""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 22.131262045661312 +""", +) + +entry( + index = 6112, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.95467e-14,'m^3/(mol*s)'), n=6.0561, w0=(411,'kJ/mol'), E0=(50.6667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_3BrHINO->O_Ext-3O-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6113, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_N-3BrHINO->O", + kinetics = ArrheniusBM(A=(125.532,'m^3/(mol*s)'), n=1.74411, w0=(397.5,'kJ/mol'), E0=(27.5086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0166876735621855, var=2.103666553832623, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_N-3BrHINO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_N-3BrHINO->O + Total Standard Deviation in ln(k): 5.462163817125666"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_N-3BrHINO->O +Total Standard Deviation in ln(k): 5.462163817125666""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_4R!H->C_N-3BrHINO->O +Total Standard Deviation in ln(k): 5.462163817125666 +""", +) + +entry( + index = 6114, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.00486001,'m^3/(mol*s)'), n=2.53128, w0=(397.5,'kJ/mol'), E0=(23.0737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.520887106363987, var=93.65368528673167, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_N-4R!H->C + Total Standard Deviation in ln(k): 35.78492892520459"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_N-4R!H->C +Total Standard Deviation in ln(k): 35.78492892520459""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_1R->S_N-3BrHINOS->S_N-4R!H->C +Total Standard Deviation in ln(k): 35.78492892520459 +""", +) + +entry( + index = 6115, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S", + kinetics = ArrheniusBM(A=(619.942,'m^3/(mol*s)'), n=1.19751, w0=(417.288,'kJ/mol'), E0=(39.0634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10209764475744199, var=7.395248998646307, Tref=1000.0, N=927, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S',), comment="""BM rule fitted to 927 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S + Total Standard Deviation in ln(k): 5.708244833397513"""), + rank = 11, + shortDesc = """BM rule fitted to 927 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S +Total Standard Deviation in ln(k): 5.708244833397513""", + longDesc = +""" +BM rule fitted to 927 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S +Total Standard Deviation in ln(k): 5.708244833397513 +""", +) + +entry( + index = 6116, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl", + kinetics = ArrheniusBM(A=(67578.9,'m^3/(mol*s)'), n=0.745164, w0=(433.9,'kJ/mol'), E0=(54.5804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2006970086200732, var=5.247320195916362, Tref=1000.0, N=70, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl',), comment="""BM rule fitted to 70 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl + Total Standard Deviation in ln(k): 5.096516479989806"""), + rank = 11, + shortDesc = """BM rule fitted to 70 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl +Total Standard Deviation in ln(k): 5.096516479989806""", + longDesc = +""" +BM rule fitted to 70 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl +Total Standard Deviation in ln(k): 5.096516479989806 +""", +) + +entry( + index = 6117, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_3BrHINOS->Br", + kinetics = ArrheniusBM(A=(1.92885e+07,'m^3/(mol*s)'), n=-0.0825406, w0=(386.5,'kJ/mol'), E0=(34.047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_3BrHINOS->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_3BrHINOS->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_3BrHINOS->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_3BrHINOS->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6118, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br", + kinetics = ArrheniusBM(A=(66988.9,'m^3/(mol*s)'), n=0.746436, w0=(434.587,'kJ/mol'), E0=(54.611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2010129813332856, var=5.246481165016986, Tref=1000.0, N=69, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br',), comment="""BM rule fitted to 69 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br + Total Standard Deviation in ln(k): 5.096943222829544"""), + rank = 11, + shortDesc = """BM rule fitted to 69 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br +Total Standard Deviation in ln(k): 5.096943222829544""", + longDesc = +""" +BM rule fitted to 69 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br +Total Standard Deviation in ln(k): 5.096943222829544 +""", +) + +entry( + index = 6119, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1", + kinetics = ArrheniusBM(A=(3.25086e+06,'m^3/(mol*s)'), n=0.237208, w0=(434.062,'kJ/mol'), E0=(61.3643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24951022142509588, var=4.291220588332323, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1 + Total Standard Deviation in ln(k): 4.779771239855671"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1 +Total Standard Deviation in ln(k): 4.779771239855671""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1 +Total Standard Deviation in ln(k): 4.779771239855671 +""", +) + +entry( + index = 6120, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O", + kinetics = ArrheniusBM(A=(1.47851e+09,'m^3/(mol*s)'), n=-0.569003, w0=(436.6,'kJ/mol'), E0=(70.4716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3264198282963001, var=3.206511154196296, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O + Total Standard Deviation in ln(k): 4.409976059593523"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O +Total Standard Deviation in ln(k): 4.409976059593523""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O +Total Standard Deviation in ln(k): 4.409976059593523 +""", +) + +entry( + index = 6121, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C", + kinetics = ArrheniusBM(A=(2.02538e+09,'m^3/(mol*s)'), n=-0.603641, w0=(435,'kJ/mol'), E0=(71.1258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3289714884971923, var=3.136081508831302, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C + Total Standard Deviation in ln(k): 4.376743876867771"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C +Total Standard Deviation in ln(k): 4.376743876867771""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C +Total Standard Deviation in ln(k): 4.376743876867771 +""", +) + +entry( + index = 6122, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.19208e+09,'m^3/(mol*s)'), n=-0.807209, w0=(435,'kJ/mol'), E0=(72.432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37666262625157776, var=3.0136561390518573, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.426585586712301"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.426585586712301""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.426585586712301 +""", +) + +entry( + index = 6123, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.02e+08,'m^3/(mol*s)'), n=-0.239638, w0=(435,'kJ/mol'), E0=(68.3882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3231084729298825, var=1.6013319766724046, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.3486972074154115"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.3486972074154115""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.3486972074154115 +""", +) + +entry( + index = 6124, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00559004,'m^3/(mol*s)'), n=2.8603, w0=(435,'kJ/mol'), E0=(21.0321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.211729851287177, var=0.2390656544277409, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 1.5121865481631418"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.5121865481631418""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 1.5121865481631418 +""", +) + +entry( + index = 6125, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00559225,'m^3/(mol*s)'), n=2.85946, w0=(435,'kJ/mol'), E0=(26.8041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4939449901873397, var=0.7752574344047868, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.0062110765576553"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.0062110765576553""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.0062110765576553 +""", +) + +entry( + index = 6126, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00592053,'m^3/(mol*s)'), n=2.85848, w0=(435,'kJ/mol'), E0=(25.4931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6127, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00190612,'m^3/(mol*s)'), n=2.83727, w0=(435,'kJ/mol'), E0=(19.9885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030761689833239306, var=1.2805297598570835, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.3458588123268482"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.3458588123268482""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.3458588123268482 +""", +) + +entry( + index = 6128, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00125387,'m^3/(mol*s)'), n=2.95543, w0=(435,'kJ/mol'), E0=(20.3233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6129, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R", + kinetics = ArrheniusBM(A=(2.46968e+08,'m^3/(mol*s)'), n=-0.385678, w0=(435,'kJ/mol'), E0=(73.2066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4574859726298899, var=7.51175896424033, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R + Total Standard Deviation in ln(k): 6.643957607973724"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R +Total Standard Deviation in ln(k): 6.643957607973724""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R +Total Standard Deviation in ln(k): 6.643957607973724 +""", +) + +entry( + index = 6130, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0", + kinetics = ArrheniusBM(A=(2.39157e-07,'m^3/(mol*s)'), n=3.8245, w0=(435,'kJ/mol'), E0=(31.0253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07389414274165616, var=1.783273030646718, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0 + Total Standard Deviation in ln(k): 2.8627717882015262"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 2.8627717882015262""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 2.8627717882015262 +""", +) + +entry( + index = 6131, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_7R!H->C", + kinetics = ArrheniusBM(A=(1.31134e-09,'m^3/(mol*s)'), n=4.34499, w0=(435,'kJ/mol'), E0=(24.3171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6132, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.60116e-12,'m^3/(mol*s)'), n=5.26493, w0=(435,'kJ/mol'), E0=(8.14566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32714935140939166, var=0.16240920938198117, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.62989205197648"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.62989205197648""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.62989205197648 +""", +) + +entry( + index = 6133, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.3838e-10,'m^3/(mol*s)'), n=4.7323, w0=(435,'kJ/mol'), E0=(18.516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_7R!H-u0_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6134, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_N-7R!H-u0", + kinetics = ArrheniusBM(A=(0.12565,'m^3/(mol*s)'), n=2.64314, w0=(435,'kJ/mol'), E0=(42.2409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_N-7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_N-7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_Ext-5R!H-R_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6135, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F", + kinetics = ArrheniusBM(A=(0.00348252,'m^3/(mol*s)'), n=2.95455, w0=(435,'kJ/mol'), E0=(18.2046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08804657270783862, var=0.006376295895538726, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F + Total Standard Deviation in ln(k): 0.3813040723552991"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F +Total Standard Deviation in ln(k): 0.3813040723552991""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F +Total Standard Deviation in ln(k): 0.3813040723552991 +""", +) + +entry( + index = 6136, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(0.0697496,'m^3/(mol*s)'), n=2.52424, w0=(435,'kJ/mol'), E0=(19.1005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6137, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(0.000502407,'m^3/(mol*s)'), n=3.25283, w0=(435,'kJ/mol'), E0=(23.2223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_N-6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_5R!H->F_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6138, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(1.05741e+11,'m^3/(mol*s)'), n=-1.15557, w0=(435,'kJ/mol'), E0=(75.6367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3890480188699464, var=3.5968211899883293, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F + Total Standard Deviation in ln(k): 4.779545237591426"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F +Total Standard Deviation in ln(k): 4.779545237591426""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F +Total Standard Deviation in ln(k): 4.779545237591426 +""", +) + +entry( + index = 6139, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C", + kinetics = ArrheniusBM(A=(1.98057e+11,'m^3/(mol*s)'), n=-1.30629, w0=(435,'kJ/mol'), E0=(73.1125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.353130842260282, var=6.615187344684129, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C + Total Standard Deviation in ln(k): 6.043443345322386"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C +Total Standard Deviation in ln(k): 6.043443345322386""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C +Total Standard Deviation in ln(k): 6.043443345322386 +""", +) + +entry( + index = 6140, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.213493,'m^3/(mol*s)'), n=2.45388, w0=(435,'kJ/mol'), E0=(21.6633,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6141, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(4677.57,'m^3/(mol*s)'), n=0.733247, w0=(435,'kJ/mol'), E0=(55.7254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1050433301136934, var=4.092003142690892, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R + Total Standard Deviation in ln(k): 4.319246463539295"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R +Total Standard Deviation in ln(k): 4.319246463539295""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R +Total Standard Deviation in ln(k): 4.319246463539295 +""", +) + +entry( + index = 6142, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(1.44009e-12,'m^3/(mol*s)'), n=5.17356, w0=(435,'kJ/mol'), E0=(-2.37207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4763589567754268, var=1.7359812937116696, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0 + Total Standard Deviation in ln(k): 3.838253437107381"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.838253437107381""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.838253437107381 +""", +) + +entry( + index = 6143, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_6R!H->C", + kinetics = ArrheniusBM(A=(5.03685e-09,'m^3/(mol*s)'), n=4.16347, w0=(435,'kJ/mol'), E0=(20.1601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6144, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.23394e-12,'m^3/(mol*s)'), n=5.03669, w0=(435,'kJ/mol'), E0=(8.89855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6050866956422534, var=4.421809612294097, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.735895163569979"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.735895163569979""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.735895163569979 +""", +) + +entry( + index = 6145, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.00109e-12,'m^3/(mol*s)'), n=5.18528, w0=(435,'kJ/mol'), E0=(15.3142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6146, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(3.30952e+16,'m^3/(mol*s)'), n=-2.75307, w0=(435,'kJ/mol'), E0=(12.0187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_5CClO->C_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6147, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C", + kinetics = ArrheniusBM(A=(4.51185e+10,'m^3/(mol*s)'), n=-1.02014, w0=(435,'kJ/mol'), E0=(76.0023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3889612606854503, var=3.518227794761407, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C + Total Standard Deviation in ln(k): 4.737559056104447"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C +Total Standard Deviation in ln(k): 4.737559056104447""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C +Total Standard Deviation in ln(k): 4.737559056104447 +""", +) + +entry( + index = 6148, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.16815e+09,'m^3/(mol*s)'), n=-0.715647, w0=(435,'kJ/mol'), E0=(72.2242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3566516212827668, var=4.94691489332582, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.354973423690895"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.354973423690895""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.354973423690895 +""", +) + +entry( + index = 6149, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R", + kinetics = ArrheniusBM(A=(6.57621e+07,'m^3/(mol*s)'), n=-0.27877, w0=(435,'kJ/mol'), E0=(68.0136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7815502593987944, var=12.751622039036027, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R + Total Standard Deviation in ln(k): 9.122485478585173"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R +Total Standard Deviation in ln(k): 9.122485478585173""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R +Total Standard Deviation in ln(k): 9.122485478585173 +""", +) + +entry( + index = 6150, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0", + kinetics = ArrheniusBM(A=(7.47651e-13,'m^3/(mol*s)'), n=5.32946, w0=(435,'kJ/mol'), E0=(2.8431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0798611906377314, var=0.8045924314874018, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0 + Total Standard Deviation in ln(k): 1.9988851074515581"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 1.9988851074515581""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 1.9988851074515581 +""", +) + +entry( + index = 6151, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_7R!H->C", + kinetics = ArrheniusBM(A=(9.47279e-05,'m^3/(mol*s)'), n=2.59564, w0=(435,'kJ/mol'), E0=(12.1615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6152, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C", + kinetics = ArrheniusBM(A=(9.63523e-13,'m^3/(mol*s)'), n=5.43532, w0=(435,'kJ/mol'), E0=(17.4432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18961199038019033, var=0.305442882741425, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C + Total Standard Deviation in ln(k): 1.5843667112170738"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 1.5843667112170738""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 1.5843667112170738 +""", +) + +entry( + index = 6153, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R", + kinetics = ArrheniusBM(A=(1.08379e-14,'m^3/(mol*s)'), n=5.96557, w0=(435,'kJ/mol'), E0=(6.4181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25863727766589945, var=0.8650165495025115, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R + Total Standard Deviation in ln(k): 2.514371642691126"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R +Total Standard Deviation in ln(k): 2.514371642691126""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R +Total Standard Deviation in ln(k): 2.514371642691126 +""", +) + +entry( + index = 6154, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.10476e-12,'m^3/(mol*s)'), n=5.11397, w0=(435,'kJ/mol'), E0=(16.7218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_7R!H-u0_N-7R!H->C_Ext-7O-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6155, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_N-7R!H-u0", + kinetics = ArrheniusBM(A=(0.0061414,'m^3/(mol*s)'), n=3.01922, w0=(435,'kJ/mol'), E0=(44.9056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_N-7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_N-7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_Ext-1C-R_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6156, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O", + kinetics = ArrheniusBM(A=(4.27645e+10,'m^3/(mol*s)'), n=-0.950197, w0=(435,'kJ/mol'), E0=(77.6608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7877809356721215, var=20.94508900135575, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O + Total Standard Deviation in ln(k): 13.666743345854384"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O +Total Standard Deviation in ln(k): 13.666743345854384""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O +Total Standard Deviation in ln(k): 13.666743345854384 +""", +) + +entry( + index = 6157, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.10353e+12,'m^3/(mol*s)'), n=-1.44612, w0=(435,'kJ/mol'), E0=(84.2122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8276854759247032, var=57.506747333840984, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R + Total Standard Deviation in ln(k): 17.282160031292168"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R +Total Standard Deviation in ln(k): 17.282160031292168""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R +Total Standard Deviation in ln(k): 17.282160031292168 +""", +) + +entry( + index = 6158, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_6R!H->O", + kinetics = ArrheniusBM(A=(0.00061524,'m^3/(mol*s)'), n=3.28705, w0=(435,'kJ/mol'), E0=(35.7793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6159, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(1.39443e-07,'m^3/(mol*s)'), n=3.60576, w0=(435,'kJ/mol'), E0=(21.5083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_N-6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_N-6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_N-6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_5ClO->O_Ext-3O-R_N-6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6160, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O", + kinetics = ArrheniusBM(A=(1.44942e+11,'m^3/(mol*s)'), n=-1.20512, w0=(435,'kJ/mol'), E0=(77.5442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2525941831278186, var=5.832227426633866, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O + Total Standard Deviation in ln(k): 5.4760949706804425"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O +Total Standard Deviation in ln(k): 5.4760949706804425""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O +Total Standard Deviation in ln(k): 5.4760949706804425 +""", +) + +entry( + index = 6161, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(5.66208e+10,'m^3/(mol*s)'), n=-1.15037, w0=(435,'kJ/mol'), E0=(78.3155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8866970526597596, var=16.098827246793803, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R + Total Standard Deviation in ln(k): 10.271549533132625"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R +Total Standard Deviation in ln(k): 10.271549533132625""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R +Total Standard Deviation in ln(k): 10.271549533132625 +""", +) + +entry( + index = 6162, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(6.97399e-13,'m^3/(mol*s)'), n=5.29521, w0=(435,'kJ/mol'), E0=(7.20302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3513325635006274, var=2.447080402735158, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0 + Total Standard Deviation in ln(k): 4.018781635680308"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 4.018781635680308""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 4.018781635680308 +""", +) + +entry( + index = 6163, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_6R!H->C", + kinetics = ArrheniusBM(A=(6.7914e-07,'m^3/(mol*s)'), n=3.16452, w0=(435,'kJ/mol'), E0=(16.7616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6164, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C", + kinetics = ArrheniusBM(A=(6.02979e-12,'m^3/(mol*s)'), n=5.16511, w0=(435,'kJ/mol'), E0=(20.8932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32531291786938343, var=0.383224242346051, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C + Total Standard Deviation in ln(k): 2.058402559516853"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 2.058402559516853""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 2.058402559516853 +""", +) + +entry( + index = 6165, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R", + kinetics = ArrheniusBM(A=(1.14656e-13,'m^3/(mol*s)'), n=5.64017, w0=(435,'kJ/mol'), E0=(8.60663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4171444465050039, var=0.8774912298333805, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R + Total Standard Deviation in ln(k): 2.9260272217048393"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R +Total Standard Deviation in ln(k): 2.9260272217048393""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R +Total Standard Deviation in ln(k): 2.9260272217048393 +""", +) + +entry( + index = 6166, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.30589e-12,'m^3/(mol*s)'), n=5.0443, w0=(435,'kJ/mol'), E0=(17.8225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6167, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(0.0542518,'m^3/(mol*s)'), n=2.76635, w0=(435,'kJ/mol'), E0=(42.6472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-1C-R_N-5R!H->F_N-5CClO->C_N-5ClO->O_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6168, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.27033e+07,'m^3/(mol*s)'), n=0.15764, w0=(435,'kJ/mol'), E0=(68.1134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8498624571378713, var=13.78565881471198, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R + Total Standard Deviation in ln(k): 9.578722423995147"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 9.578722423995147""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 9.578722423995147 +""", +) + +entry( + index = 6169, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(4.27383e-13,'m^3/(mol*s)'), n=5.66971, w0=(435,'kJ/mol'), E0=(2.10434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5885141794323304, var=8.602127078551113, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 7.358443135010793"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 7.358443135010793""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 7.358443135010793 +""", +) + +entry( + index = 6170, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O", + kinetics = ArrheniusBM(A=(2.50272e-09,'m^3/(mol*s)'), n=4.6023, w0=(435,'kJ/mol'), E0=(26.8969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47847618010590665, var=0.4526432719075036, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O + Total Standard Deviation in ln(k): 2.550962533512032"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O +Total Standard Deviation in ln(k): 2.550962533512032""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O +Total Standard Deviation in ln(k): 2.550962533512032 +""", +) + +entry( + index = 6171, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R", + kinetics = ArrheniusBM(A=(1.80995e-10,'m^3/(mol*s)'), n=4.92592, w0=(435,'kJ/mol'), E0=(19.5385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6515981692944331, var=0.003414947207346308, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R + Total Standard Deviation in ln(k): 1.7543331354758107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R +Total Standard Deviation in ln(k): 1.7543331354758107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R +Total Standard Deviation in ln(k): 1.7543331354758107 +""", +) + +entry( + index = 6172, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.18411e-09,'m^3/(mol*s)'), n=4.62993, w0=(435,'kJ/mol'), E0=(13.0047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6173, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O", + kinetics = ArrheniusBM(A=(2.35676e-14,'m^3/(mol*s)'), n=6.0122, w0=(435,'kJ/mol'), E0=(2.58017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13931572879522552, var=50.20578945437099, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O + Total Standard Deviation in ln(k): 14.554799168174817"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O +Total Standard Deviation in ln(k): 14.554799168174817""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O +Total Standard Deviation in ln(k): 14.554799168174817 +""", +) + +entry( + index = 6174, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_5CCl->C", + kinetics = ArrheniusBM(A=(1.18452e-10,'m^3/(mol*s)'), n=4.67761, w0=(435,'kJ/mol'), E0=(22.5879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_5CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_5CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6175, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5CCl->C", + kinetics = ArrheniusBM(A=(3.78103e-09,'m^3/(mol*s)'), n=4.79495, w0=(435,'kJ/mol'), E0=(16.7972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6176, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(1.8223,'m^3/(mol*s)'), n=2.45456, w0=(435,'kJ/mol'), E0=(37.2177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_1CNO->C_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6177, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C", + kinetics = ArrheniusBM(A=(66489.8,'m^3/(mol*s)'), n=0.591212, w0=(459,'kJ/mol'), E0=(53.1727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.001956422971425, var=33.730538454139165, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C + Total Standard Deviation in ln(k): 16.673141234461493"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C +Total Standard Deviation in ln(k): 16.673141234461493""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C +Total Standard Deviation in ln(k): 16.673141234461493 +""", +) + +entry( + index = 6178, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(9.68705e-12,'m^3/(mol*s)'), n=4.93618, w0=(459,'kJ/mol'), E0=(4.4644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.447873862404287, var=7.961717231453456, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R + Total Standard Deviation in ln(k): 16.832226222215304"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 16.832226222215304""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 16.832226222215304 +""", +) + +entry( + index = 6179, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(1.97836e-09,'m^3/(mol*s)'), n=4.26277, w0=(459,'kJ/mol'), E0=(19.553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6180, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(0.0149983,'m^3/(mol*s)'), n=2.44444, w0=(459,'kJ/mol'), E0=(88.7138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_3HINOS->O_N-1CNO->C_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6181, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O", + kinetics = ArrheniusBM(A=(0.0002058,'m^3/(mol*s)'), n=3.38332, w0=(423.682,'kJ/mol'), E0=(26.7071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0916634923795077, var=1.533501690411308, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O + Total Standard Deviation in ln(k): 2.712866654525089"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O +Total Standard Deviation in ln(k): 2.712866654525089""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O +Total Standard Deviation in ln(k): 2.712866654525089 +""", +) + +entry( + index = 6182, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.19313e-07,'m^3/(mol*s)'), n=4.24543, w0=(421.5,'kJ/mol'), E0=(15.4236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08000485373372565, var=1.9216930584566876, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.980084110862889"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.980084110862889""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.980084110862889 +""", +) + +entry( + index = 6183, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.58001e-10,'m^3/(mol*s)'), n=5.07413, w0=(421.5,'kJ/mol'), E0=(2.19795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1519067157255191, var=2.201780997934524, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C + Total Standard Deviation in ln(k): 3.3563811626286313"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C +Total Standard Deviation in ln(k): 3.3563811626286313""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C +Total Standard Deviation in ln(k): 3.3563811626286313 +""", +) + +entry( + index = 6184, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.61997e-05,'m^3/(mol*s)'), n=3.62444, w0=(421.5,'kJ/mol'), E0=(37.7148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6185, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00120884,'m^3/(mol*s)'), n=3.16527, w0=(421.5,'kJ/mol'), E0=(28.3721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6186, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.014076,'m^3/(mol*s)'), n=2.87786, w0=(421.5,'kJ/mol'), E0=(26.0822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002723933968017244, var=0.9231515034026396, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.9330090239388535"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.9330090239388535""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.9330090239388535 +""", +) + +entry( + index = 6187, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(0.330922,'m^3/(mol*s)'), n=2.53597, w0=(421.5,'kJ/mol'), E0=(28.7948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8963295791107682, var=10.810613086099528, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 11.356115236205563"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.356115236205563""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 11.356115236205563 +""", +) + +entry( + index = 6188, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(0.00100236,'m^3/(mol*s)'), n=3.26685, w0=(421.5,'kJ/mol'), E0=(20.7534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6189, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(6.62,'m^3/(mol*s)'), n=2.05, w0=(421.5,'kJ/mol'), E0=(44.3495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_N-6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-1CNO-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6190, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(3.21791,'m^3/(mol*s)'), n=2.17645, w0=(421.5,'kJ/mol'), E0=(33.5101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3396002687778439, var=1.3074710760249972, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 3.1455753470149954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 3.1455753470149954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 3.1455753470149954 +""", +) + +entry( + index = 6191, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2884.54,'m^3/(mol*s)'), n=1.20728, w0=(421.5,'kJ/mol'), E0=(25.5443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01541862862411477, var=4.860830774322085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1CNO-R + Total Standard Deviation in ln(k): 4.458638204035474"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.458638204035474""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.458638204035474 +""", +) + +entry( + index = 6192, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_5ClO->O", + kinetics = ArrheniusBM(A=(0.00436924,'m^3/(mol*s)'), n=3.03133, w0=(421.5,'kJ/mol'), E0=(24.5876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_5ClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_5ClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6193, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-5ClO->O", + kinetics = ArrheniusBM(A=(0.00070558,'m^3/(mol*s)'), n=3.21154, w0=(421.5,'kJ/mol'), E0=(25.8026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-5ClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-5ClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_Ext-1CNO-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-5ClO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6194, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_1CNO->C", + kinetics = ArrheniusBM(A=(0.00033403,'m^3/(mol*s)'), n=3.31563, w0=(421.5,'kJ/mol'), E0=(31.9814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6195, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_N-1CNO->C", + kinetics = ArrheniusBM(A=(7.27408e-06,'m^3/(mol*s)'), n=3.74123, w0=(445.5,'kJ/mol'), E0=(25.8379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_3HINOS-u1_N-3HINOS->O_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6196, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1", + kinetics = ArrheniusBM(A=(1.16944e-05,'m^3/(mol*s)'), n=3.73964, w0=(436.846,'kJ/mol'), E0=(12.7831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07712138675697625, var=1.7014932876239683, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1 + Total Standard Deviation in ln(k): 2.808774835076035"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1 +Total Standard Deviation in ln(k): 2.808774835076035""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1 +Total Standard Deviation in ln(k): 2.808774835076035 +""", +) + +entry( + index = 6197, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C", + kinetics = ArrheniusBM(A=(1.1491e-05,'m^3/(mol*s)'), n=3.76625, w0=(435,'kJ/mol'), E0=(17.3769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12861101522654902, var=1.6328738929146795, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C + Total Standard Deviation in ln(k): 2.8848730057534655"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C +Total Standard Deviation in ln(k): 2.8848730057534655""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C +Total Standard Deviation in ln(k): 2.8848730057534655 +""", +) + +entry( + index = 6198, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.27975e-07,'m^3/(mol*s)'), n=4.08747, w0=(435,'kJ/mol'), E0=(13.2835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07591780129539864, var=1.6987184403205078, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R + Total Standard Deviation in ln(k): 2.8036175678904582"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R +Total Standard Deviation in ln(k): 2.8036175678904582""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R +Total Standard Deviation in ln(k): 2.8036175678904582 +""", +) + +entry( + index = 6199, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_5R!H->O", + kinetics = ArrheniusBM(A=(0.0196561,'m^3/(mol*s)'), n=2.93242, w0=(435,'kJ/mol'), E0=(29.6349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6200, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(7.26921e-08,'m^3/(mol*s)'), n=4.38522, w0=(435,'kJ/mol'), E0=(1.47454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12693699474746964, var=1.232542246988322, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O + Total Standard Deviation in ln(k): 2.544592436796218"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O +Total Standard Deviation in ln(k): 2.544592436796218""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O +Total Standard Deviation in ln(k): 2.544592436796218 +""", +) + +entry( + index = 6201, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C", + kinetics = ArrheniusBM(A=(1.51722e-07,'m^3/(mol*s)'), n=4.27453, w0=(435,'kJ/mol'), E0=(1.24819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20376540234968918, var=1.9943317056824745, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C + Total Standard Deviation in ln(k): 3.343076478854165"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 3.343076478854165""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 3.343076478854165 +""", +) + +entry( + index = 6202, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(6.55002e+06,'m^3/(mol*s)'), n=0.0304583, w0=(435,'kJ/mol'), E0=(40.5219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0037024236358659556, var=0.014497363396700937, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F + Total Standard Deviation in ln(k): 0.2506826937124842"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 0.2506826937124842""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 0.2506826937124842 +""", +) + +entry( + index = 6203, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=1.65074e-08, w0=(435,'kJ/mol'), E0=(42.6388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6204, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(7e+06,'m^3/(mol*s)'), n=-6.46697e-09, w0=(435,'kJ/mol'), E0=(38.9762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_N-6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_5BrCClFINPSSi->F_Ext-1C-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6205, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(1.44716e-07,'m^3/(mol*s)'), n=4.29739, w0=(435,'kJ/mol'), E0=(1.87814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14040089746457016, var=1.655407001219978, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F + Total Standard Deviation in ln(k): 2.932110766345682"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 2.932110766345682""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 2.932110766345682 +""", +) + +entry( + index = 6206, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl", + kinetics = ArrheniusBM(A=(0.0129172,'m^3/(mol*s)'), n=2.82274, w0=(435,'kJ/mol'), E0=(31.8332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12181968357920883, var=0.4929083068442049, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl + Total Standard Deviation in ln(k): 1.7135525604629334"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl +Total Standard Deviation in ln(k): 1.7135525604629334""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl +Total Standard Deviation in ln(k): 1.7135525604629334 +""", +) + +entry( + index = 6207, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00106352,'m^3/(mol*s)'), n=3.14348, w0=(435,'kJ/mol'), E0=(28.7785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.36425262701020567, var=0.7153154872954499, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 2.6107388745113354"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 2.6107388745113354""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 2.6107388745113354 +""", +) + +entry( + index = 6208, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_6R!H->C", + kinetics = ArrheniusBM(A=(9.4129e-05,'m^3/(mol*s)'), n=3.46465, w0=(435,'kJ/mol'), E0=(27.2154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6209, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(5103.72,'m^3/(mol*s)'), n=1.11, w0=(435,'kJ/mol'), E0=(38.4297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016196581597454223, var=5.266335487760473, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 4.641260769030845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.641260769030845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_5CCl->Cl_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.641260769030845 +""", +) + +entry( + index = 6210, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl", + kinetics = ArrheniusBM(A=(0.000476299,'m^3/(mol*s)'), n=3.3246, w0=(435,'kJ/mol'), E0=(17.9437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036874353293773525, var=4.2950373339112655, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl + Total Standard Deviation in ln(k): 4.247356696354966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl +Total Standard Deviation in ln(k): 4.247356696354966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl +Total Standard Deviation in ln(k): 4.247356696354966 +""", +) + +entry( + index = 6211, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000122474,'m^3/(mol*s)'), n=3.50009, w0=(435,'kJ/mol'), E0=(23.0787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_Sp-5BrCClFINPSSi-1C_N-5BrCClFINPSSi->F_N-5CCl->Cl_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6212, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C", + kinetics = ArrheniusBM(A=(1.21458e-06,'m^3/(mol*s)'), n=4.10006, w0=(435,'kJ/mol'), E0=(17.7533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_1CNO->C_Ext-1C-R_N-5R!H->O_N-Sp-5BrCClFINPSSi-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6213, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_N-1CNO->C", + kinetics = ArrheniusBM(A=(134.09,'m^3/(mol*s)'), n=1.5809, w0=(459,'kJ/mol'), E0=(13.9158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_4R!H->Cl_N-3BrHINOS->Br_N-3HINOS-u1_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6214, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl", + kinetics = ArrheniusBM(A=(617.3,'m^3/(mol*s)'), n=1.1976, w0=(415.931,'kJ/mol'), E0=(39.0171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10391692144033358, var=7.406342497479288, Tref=1000.0, N=857, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl',), comment="""BM rule fitted to 857 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl + Total Standard Deviation in ln(k): 5.7169033670817555"""), + rank = 11, + shortDesc = """BM rule fitted to 857 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl +Total Standard Deviation in ln(k): 5.7169033670817555""", + longDesc = +""" +BM rule fitted to 857 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl +Total Standard Deviation in ln(k): 5.7169033670817555 +""", +) + +entry( + index = 6215, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S", + kinetics = ArrheniusBM(A=(1.73241e+13,'m^3/(mol*s)'), n=-1.70607, w0=(387.361,'kJ/mol'), E0=(37.4252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.485605371340691, var=62.24294568345198, Tref=1000.0, N=266, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S',), comment="""BM rule fitted to 266 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S + Total Standard Deviation in ln(k): 27.086561982677857"""), + rank = 11, + shortDesc = """BM rule fitted to 266 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S +Total Standard Deviation in ln(k): 27.086561982677857""", + longDesc = +""" +BM rule fitted to 266 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S +Total Standard Deviation in ln(k): 27.086561982677857 +""", +) + +entry( + index = 6216, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S", + kinetics = ArrheniusBM(A=(6.06611e-05,'m^3/(mol*s)'), n=3.22666, w0=(387,'kJ/mol'), E0=(9.89077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20255229688251858, var=16.668445019123617, Tref=1000.0, N=84, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S',), comment="""BM rule fitted to 84 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S + Total Standard Deviation in ln(k): 8.693658676119087"""), + rank = 11, + shortDesc = """BM rule fitted to 84 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S +Total Standard Deviation in ln(k): 8.693658676119087""", + longDesc = +""" +BM rule fitted to 84 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S +Total Standard Deviation in ln(k): 8.693658676119087 +""", +) + +entry( + index = 6217, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.000236784,'m^3/(mol*s)'), n=3.06637, w0=(387,'kJ/mol'), E0=(12.3929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16764529845990744, var=16.003954934038852, Tref=1000.0, N=77, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R',), comment="""BM rule fitted to 77 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R + Total Standard Deviation in ln(k): 8.441150665578473"""), + rank = 11, + shortDesc = """BM rule fitted to 77 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R +Total Standard Deviation in ln(k): 8.441150665578473""", + longDesc = +""" +BM rule fitted to 77 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R +Total Standard Deviation in ln(k): 8.441150665578473 +""", +) + +entry( + index = 6218, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO", + kinetics = ArrheniusBM(A=(6.24606e-06,'m^3/(mol*s)'), n=3.49333, w0=(387,'kJ/mol'), E0=(8.42054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18322003256878658, var=13.54697720030435, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO + Total Standard Deviation in ln(k): 7.839023569291662"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO +Total Standard Deviation in ln(k): 7.839023569291662""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO +Total Standard Deviation in ln(k): 7.839023569291662 +""", +) + +entry( + index = 6219, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00512423,'m^3/(mol*s)'), n=2.6659, w0=(387,'kJ/mol'), E0=(24.1816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04014050279479376, var=9.436034851385676, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R + Total Standard Deviation in ln(k): 6.259026723555845"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.259026723555845""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R +Total Standard Deviation in ln(k): 6.259026723555845 +""", +) + +entry( + index = 6220, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.276924,'m^3/(mol*s)'), n=2.15495, w0=(387,'kJ/mol'), E0=(32.7274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08876826992914676, var=11.049082646712383, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 6.886807411082076"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 6.886807411082076""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 6.886807411082076 +""", +) + +entry( + index = 6221, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + kinetics = ArrheniusBM(A=(515995,'m^3/(mol*s)'), n=0.293613, w0=(387,'kJ/mol'), E0=(59.0567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31072810715639276, var=11.152593683834715, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + Total Standard Deviation in ln(k): 7.475636759361563"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 7.475636759361563""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 7.475636759361563 +""", +) + +entry( + index = 6222, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.49789e+07,'m^3/(mol*s)'), n=-0.180988, w0=(387,'kJ/mol'), E0=(59.8097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3193146682062279, var=15.847538013420342, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 8.782941283694246"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 8.782941283694246""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 8.782941283694246 +""", +) + +entry( + index = 6223, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R", + kinetics = ArrheniusBM(A=(7.36019e+08,'m^3/(mol*s)'), n=-0.652465, w0=(387,'kJ/mol'), E0=(63.9116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3235057756602879, var=21.29272454541245, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R + Total Standard Deviation in ln(k): 10.063486200822462"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 10.063486200822462""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 10.063486200822462 +""", +) + +entry( + index = 6224, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C", + kinetics = ArrheniusBM(A=(2.87741e+10,'m^3/(mol*s)'), n=-1.11862, w0=(387,'kJ/mol'), E0=(66.9167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39223715898337885, var=31.741052689630543, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C + Total Standard Deviation in ln(k): 12.28003721328227"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 12.28003721328227""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 12.28003721328227 +""", +) + +entry( + index = 6225, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(5.79947e+10,'m^3/(mol*s)'), n=-1.26743, w0=(387,'kJ/mol'), E0=(68.8227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.240932731330443, var=59.15781790019452, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 16.024601967350947"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 16.024601967350947""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 16.024601967350947 +""", +) + +entry( + index = 6226, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(4.90649e+08,'m^3/(mol*s)'), n=-0.419721, w0=(387,'kJ/mol'), E0=(54.6339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5292233620919271, var=32.1621628288217, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 12.698899248199007"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 12.698899248199007""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 12.698899248199007 +""", +) + +entry( + index = 6227, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(0.000113899,'m^3/(mol*s)'), n=3.14279, w0=(387,'kJ/mol'), E0=(31.2518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6228, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(944.935,'m^3/(mol*s)'), n=1.27519, w0=(387,'kJ/mol'), E0=(0.229764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6229, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.79097e-09,'m^3/(mol*s)'), n=3.7596, w0=(387,'kJ/mol'), E0=(35.9727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6230, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.5226e-06,'m^3/(mol*s)'), n=3.59479, w0=(387,'kJ/mol'), E0=(31.9053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1CNO-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6231, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R", + kinetics = ArrheniusBM(A=(690586,'m^3/(mol*s)'), n=0.327844, w0=(387,'kJ/mol'), E0=(61.9143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3134778193927162, var=18.650849469135657, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R + Total Standard Deviation in ln(k): 9.445407767404937"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 9.445407767404937""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 9.445407767404937 +""", +) + +entry( + index = 6232, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C", + kinetics = ArrheniusBM(A=(1.09557e+07,'m^3/(mol*s)'), n=-0.0157859, w0=(387,'kJ/mol'), E0=(64.0408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3513854549348437, var=27.81346809010661, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C + Total Standard Deviation in ln(k): 11.455545224594047"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 11.455545224594047""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 11.455545224594047 +""", +) + +entry( + index = 6233, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.32013e+07,'m^3/(mol*s)'), n=-0.0967212, w0=(387,'kJ/mol'), E0=(65.4869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2515885417776986, var=50.82045882810261, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 14.923581555371866"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 14.923581555371866""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 14.923581555371866 +""", +) + +entry( + index = 6234, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(419259,'m^3/(mol*s)'), n=0.569505, w0=(387,'kJ/mol'), E0=(53.7356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4185972063226203, var=22.120006151956286, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 10.480403869433758"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 10.480403869433758""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 10.480403869433758 +""", +) + +entry( + index = 6235, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(0.00900163,'m^3/(mol*s)'), n=2.70914, w0=(387,'kJ/mol'), E0=(43.2963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6236, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(0.0014805,'m^3/(mol*s)'), n=3.04854, w0=(387,'kJ/mol'), E0=(15.822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6237, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.31435e-07,'m^3/(mol*s)'), n=3.32595, w0=(387,'kJ/mol'), E0=(47.1224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6238, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(8.83212e-05,'m^3/(mol*s)'), n=3.16114, w0=(387,'kJ/mol'), E0=(41.0746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6239, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R", + kinetics = ArrheniusBM(A=(384.789,'m^3/(mol*s)'), n=1.32524, w0=(387,'kJ/mol'), E0=(33.251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12599505751684573, var=9.430619248137054, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R + Total Standard Deviation in ln(k): 6.472974258546044"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R +Total Standard Deviation in ln(k): 6.472974258546044""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R +Total Standard Deviation in ln(k): 6.472974258546044 +""", +) + +entry( + index = 6240, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.28964e-07,'m^3/(mol*s)'), n=3.92655, w0=(387,'kJ/mol'), E0=(-28.4726,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3581305292757524, var=1.7982874130412287, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C + Total Standard Deviation in ln(k): 3.588179982827884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 3.588179982827884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 3.588179982827884 +""", +) + +entry( + index = 6241, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.71463e-05,'m^3/(mol*s)'), n=3.43698, w0=(387,'kJ/mol'), E0=(9.69094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_N-7R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6242, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(5.44612e+07,'m^3/(mol*s)'), n=-0.211157, w0=(387,'kJ/mol'), E0=(37.4698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2952024365143722, var=23.940321984701264, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 10.550652518092871"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 10.550652518092871""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 10.550652518092871 +""", +) + +entry( + index = 6243, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.03133e+07,'m^3/(mol*s)'), n=-0.318846, w0=(387,'kJ/mol'), E0=(39.0331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1169975897175571, var=46.1006410239856, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 13.905604331018539"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 13.905604331018539""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 13.905604331018539 +""", +) + +entry( + index = 6244, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C", + kinetics = ArrheniusBM(A=(2.24109e+07,'m^3/(mol*s)'), n=0.103913, w0=(387,'kJ/mol'), E0=(31.8057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5894493167917169, var=27.56308941345274, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C + Total Standard Deviation in ln(k): 12.00600012489846"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C +Total Standard Deviation in ln(k): 12.00600012489846""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C +Total Standard Deviation in ln(k): 12.00600012489846 +""", +) + +entry( + index = 6245, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00124051,'m^3/(mol*s)'), n=2.98498, w0=(387,'kJ/mol'), E0=(14.7929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6246, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(6834.63,'m^3/(mol*s)'), n=1.1689, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_9R!H->C_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6247, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(3.3988e-08,'m^3/(mol*s)'), n=3.60179, w0=(387,'kJ/mol'), E0=(12.062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-1CNO-R_Ext-7R!H-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6248, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(67.2382,'m^3/(mol*s)'), n=1.48787, w0=(387,'kJ/mol'), E0=(34.7719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08486460437669338, var=39.3160095301456, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 12.783413686593523"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 12.783413686593523""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 12.783413686593523 +""", +) + +entry( + index = 6249, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C", + kinetics = ArrheniusBM(A=(122.472,'m^3/(mol*s)'), n=1.64568, w0=(387,'kJ/mol'), E0=(30.1989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4487751636094237, var=22.349262609686154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C + Total Standard Deviation in ln(k): 10.604962214782537"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 10.604962214782537""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C +Total Standard Deviation in ln(k): 10.604962214782537 +""", +) + +entry( + index = 6250, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.000132151,'m^3/(mol*s)'), n=3.29755, w0=(387,'kJ/mol'), E0=(23.4867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6251, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00570181,'m^3/(mol*s)'), n=2.94461, w0=(387,'kJ/mol'), E0=(0.564183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_8R!H->C_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6252, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.44939e-09,'m^3/(mol*s)'), n=3.91435, w0=(387,'kJ/mol'), E0=(20.0644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3S-R_Ext-7R!H-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6253, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.2891,'m^3/(mol*s)'), n=1.95021, w0=(387,'kJ/mol'), E0=(3.8406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6254, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.000324953,'m^3/(mol*s)'), n=2.84847, w0=(387,'kJ/mol'), E0=(14.8772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26966327882892327, var=6.875794603516731, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 5.934309403822127"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 5.934309403822127""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 5.934309403822127 +""", +) + +entry( + index = 6255, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.494948,'m^3/(mol*s)'), n=1.80056, w0=(387,'kJ/mol'), E0=(17.8874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04594454672935508, var=11.127144194287215, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R + Total Standard Deviation in ln(k): 6.802708392230559"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.802708392230559""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.802708392230559 +""", +) + +entry( + index = 6256, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R", + kinetics = ArrheniusBM(A=(0.686804,'m^3/(mol*s)'), n=1.7659, w0=(387,'kJ/mol'), E0=(18.4257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029171458475698065, var=15.09509725961401, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R + Total Standard Deviation in ln(k): 7.862173943565951"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 7.862173943565951""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 7.862173943565951 +""", +) + +entry( + index = 6257, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.0225626,'m^3/(mol*s)'), n=2.17761, w0=(387,'kJ/mol'), E0=(14.2785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2269741106858523, var=31.973352745492786, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C + Total Standard Deviation in ln(k): 14.418620916454596"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 14.418620916454596""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 14.418620916454596 +""", +) + +entry( + index = 6258, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(0.056507,'m^3/(mol*s)'), n=2.01865, w0=(387,'kJ/mol'), E0=(16.0589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015662362841736537, var=42.89713125017012, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 13.169545804652293"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 13.169545804652293""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 13.169545804652293 +""", +) + +entry( + index = 6259, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(40.0547,'m^3/(mol*s)'), n=1.4512, w0=(387,'kJ/mol'), E0=(17.9651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19824156914813185, var=17.11527818628571, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 8.791806781551228"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 8.791806781551228""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 8.791806781551228 +""", +) + +entry( + index = 6260, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(0.000156073,'m^3/(mol*s)'), n=2.94347, w0=(387,'kJ/mol'), E0=(12.0727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6261, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(4.9532,'m^3/(mol*s)'), n=1.76887, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6262, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.28168e-09,'m^3/(mol*s)'), n=3.56028, w0=(387,'kJ/mol'), E0=(7.98458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6263, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(0.014768,'m^3/(mol*s)'), n=2.29696, w0=(387,'kJ/mol'), E0=(3.07264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6264, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R", + kinetics = ArrheniusBM(A=(3.57424e-09,'m^3/(mol*s)'), n=4.41304, w0=(387,'kJ/mol'), E0=(2.58783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2385880813719738, var=12.280610262897063, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R + Total Standard Deviation in ln(k): 10.137364151887965"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 10.137364151887965""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 10.137364151887965 +""", +) + +entry( + index = 6265, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.09129e-16,'m^3/(mol*s)'), n=6.48242, w0=(387,'kJ/mol'), E0=(-32.4141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14661769290482882, var=25.390485663657007, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C + Total Standard Deviation in ln(k): 10.47004026487718"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 10.47004026487718""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 10.47004026487718 +""", +) + +entry( + index = 6266, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(1.4079e-15,'m^3/(mol*s)'), n=6.20431, w0=(387,'kJ/mol'), E0=(-41.3621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6558782028835546, var=44.02787694948832, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 17.462617999831696"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 17.462617999831696""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 17.462617999831696 +""", +) + +entry( + index = 6267, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(1.6644e-05,'m^3/(mol*s)'), n=3.55063, w0=(387,'kJ/mol'), E0=(13.1605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6415184003900941, var=9.76694622241252, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 7.877076172032104"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 7.877076172032104""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 7.877076172032104 +""", +) + +entry( + index = 6268, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(3.86586e-06,'m^3/(mol*s)'), n=3.67475, w0=(387,'kJ/mol'), E0=(19.2353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6269, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(6.37215e-07,'m^3/(mol*s)'), n=4.01415, w0=(387,'kJ/mol'), E0=(-4.18536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6270, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.59623e-10,'m^3/(mol*s)'), n=4.29156, w0=(387,'kJ/mol'), E0=(15.1971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6271, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.46819e-06,'m^3/(mol*s)'), n=3.67585, w0=(387,'kJ/mol'), E0=(-13.3372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_5R!H-inRing_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6272, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.24412,'m^3/(mol*s)'), n=2.17333, w0=(387,'kJ/mol'), E0=(29.0894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07555841503923277, var=8.117776081959912, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 5.901678553521016"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 5.901678553521016""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 5.901678553521016 +""", +) + +entry( + index = 6273, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(600.519,'m^3/(mol*s)'), n=1.31573, w0=(387,'kJ/mol'), E0=(31.7072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1422102057169062, var=12.155712845396785, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R + Total Standard Deviation in ln(k): 7.346829718160653"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R +Total Standard Deviation in ln(k): 7.346829718160653""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R +Total Standard Deviation in ln(k): 7.346829718160653 +""", +) + +entry( + index = 6274, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R", + kinetics = ArrheniusBM(A=(1244.83,'m^3/(mol*s)'), n=1.23697, w0=(387,'kJ/mol'), E0=(33.182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08186141329757982, var=15.678226643978197, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R + Total Standard Deviation in ln(k): 8.14357892912711"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 8.14357892912711""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 8.14357892912711 +""", +) + +entry( + index = 6275, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C", + kinetics = ArrheniusBM(A=(25378.3,'m^3/(mol*s)'), n=0.839567, w0=(387,'kJ/mol'), E0=(34.864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11791146276249889, var=23.93402402353503, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C + Total Standard Deviation in ln(k): 10.103907510629623"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 10.103907510629623""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 10.103907510629623 +""", +) + +entry( + index = 6276, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R", + kinetics = ArrheniusBM(A=(33864.1,'m^3/(mol*s)'), n=0.77086, w0=(387,'kJ/mol'), E0=(36.5229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2659754231391842, var=50.38330521140321, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R + Total Standard Deviation in ln(k): 14.898129777144861"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 14.898129777144861""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R +Total Standard Deviation in ln(k): 14.898129777144861 +""", +) + +entry( + index = 6277, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C", + kinetics = ArrheniusBM(A=(24340.8,'m^3/(mol*s)'), n=1.06729, w0=(387,'kJ/mol'), E0=(30.6,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.44909895377987386, var=22.170977654505382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C + Total Standard Deviation in ln(k): 10.567898475810223"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 10.567898475810223""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C +Total Standard Deviation in ln(k): 10.567898475810223 +""", +) + +entry( + index = 6278, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing", + kinetics = ArrheniusBM(A=(0.00202561,'m^3/(mol*s)'), n=3.03826, w0=(387,'kJ/mol'), E0=(21.0872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6279, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing", + kinetics = ArrheniusBM(A=(1.71652,'m^3/(mol*s)'), n=2.31429, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_9R!H->C_N-8C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6280, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.79466e-08,'m^3/(mol*s)'), n=3.65507, w0=(387,'kJ/mol'), E0=(18.1436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_8R!H->C_Ext-8C-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6281, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.47666e-05,'m^3/(mol*s)'), n=3.49026, w0=(387,'kJ/mol'), E0=(19.2105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-1CNO-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6282, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R", + kinetics = ArrheniusBM(A=(0.000853555,'m^3/(mol*s)'), n=3.1822, w0=(387,'kJ/mol'), E0=(25.9095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27766517081824904, var=13.541008166085698, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R + Total Standard Deviation in ln(k): 8.074697146851477"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 8.074697146851477""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R +Total Standard Deviation in ln(k): 8.074697146851477 +""", +) + +entry( + index = 6283, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.0532703,'m^3/(mol*s)'), n=2.65595, w0=(387,'kJ/mol'), E0=(29.0778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22189957269821267, var=20.904668354342597, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C + Total Standard Deviation in ln(k): 9.723510813467918"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 9.723510813467918""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 9.723510813467918 +""", +) + +entry( + index = 6284, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(0.0508129,'m^3/(mol*s)'), n=2.633, w0=(387,'kJ/mol'), E0=(30.5529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3685838916782114, var=40.0469288290679, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 13.61258356622876"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 13.61258356622876""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 13.61258356622876 +""", +) + +entry( + index = 6285, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.576401,'m^3/(mol*s)'), n=2.56911, w0=(387,'kJ/mol'), E0=(27.9603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10250318813662816, var=15.726307980670576, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C + Total Standard Deviation in ln(k): 8.207605174287599"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 8.207605174287599""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C +Total Standard Deviation in ln(k): 8.207605174287599 +""", +) + +entry( + index = 6286, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing", + kinetics = ArrheniusBM(A=(8.49978e-05,'m^3/(mol*s)'), n=3.60938, w0=(387,'kJ/mol'), E0=(26.0329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6287, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing", + kinetics = ArrheniusBM(A=(2.52715e-05,'m^3/(mol*s)'), n=3.87522, w0=(387,'kJ/mol'), E0=(4.77542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_8R!H->C_N-7C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6288, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(3.03282e-09,'m^3/(mol*s)'), n=4.22619, w0=(387,'kJ/mol'), E0=(22.9252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_7R!H->C_Ext-7C-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6289, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.06789e-06,'m^3/(mol*s)'), n=4.06138, w0=(387,'kJ/mol'), E0=(23.6383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-5R!H-R_N-5R!H-inRing_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6290, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R", + kinetics = ArrheniusBM(A=(18.9332,'m^3/(mol*s)'), n=1.35195, w0=(387,'kJ/mol'), E0=(-24.7323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12339031641241259, var=50.63434199111287, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R + Total Standard Deviation in ln(k): 14.57528208193109"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R +Total Standard Deviation in ln(k): 14.57528208193109""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R +Total Standard Deviation in ln(k): 14.57528208193109 +""", +) + +entry( + index = 6291, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.49007,'m^3/(mol*s)'), n=1.25584, w0=(387,'kJ/mol'), E0=(-9.4151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11932355834067196, var=76.42476093015586, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 17.825453882777683"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 17.825453882777683""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 17.825453882777683 +""", +) + +entry( + index = 6292, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(21.3713,'m^3/(mol*s)'), n=1.62617, w0=(387,'kJ/mol'), E0=(-29.5978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14623827582727977, var=9.176479348610439, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 6.440317547258178"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.440317547258178""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 6.440317547258178 +""", +) + +entry( + index = 6293, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(32.3899,'m^3/(mol*s)'), n=1.28973, w0=(387,'kJ/mol'), E0=(-18.7215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17214358018474415, var=2.052322363701107, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 3.30449075912509"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 3.30449075912509""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 3.30449075912509 +""", +) + +entry( + index = 6294, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(3618.96,'m^3/(mol*s)'), n=0.699657, w0=(387,'kJ/mol'), E0=(-30.637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6295, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1931.25,'m^3/(mol*s)'), n=1.37254, w0=(387,'kJ/mol'), E0=(0.787975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6296, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.327939,'m^3/(mol*s)'), n=0.035518, w0=(387,'kJ/mol'), E0=(-19.5452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6173620385824883, var=3.3851358140606393, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 5.239620562460275"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 5.239620562460275""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 5.239620562460275 +""", +) + +entry( + index = 6297, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(83.2718,'m^3/(mol*s)'), n=-0.651888, w0=(387,'kJ/mol'), E0=(-26.3498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6298, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(4750.62,'m^3/(mol*s)'), n=1.14544, w0=(387,'kJ/mol'), E0=(-1.37778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-6R!H-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6299, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(27521.3,'m^3/(mol*s)'), n=0.854106, w0=(387,'kJ/mol'), E0=(-6.81434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004641839163662571, var=6.000089544558809, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 4.922277564371148"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.922277564371148""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.922277564371148 +""", +) + +entry( + index = 6300, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(4.40542e+06,'m^3/(mol*s)'), n=0.26403, w0=(387,'kJ/mol'), E0=(-8.47785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_N-6R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6301, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(20.1015,'m^3/(mol*s)'), n=1.74148, w0=(387,'kJ/mol'), E0=(0.0920237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-3S-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6302, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.129689,'m^3/(mol*s)'), n=2.43923, w0=(387,'kJ/mol'), E0=(18.9754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0715871432845092, var=1.2334146558336734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R + Total Standard Deviation in ln(k): 4.918872806325401"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.918872806325401""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.918872806325401 +""", +) + +entry( + index = 6303, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_5R!H->O", + kinetics = ArrheniusBM(A=(0.111,'m^3/(mol*s)'), n=2.47, w0=(387,'kJ/mol'), E0=(19.8262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6304, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.79079,'m^3/(mol*s)'), n=1.92999, w0=(387,'kJ/mol'), E0=(-2.43004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_N-5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_N-5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_Sp-5R!H-1CNO_Ext-1CNO-R_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6305, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO", + kinetics = ArrheniusBM(A=(0.396664,'m^3/(mol*s)'), n=2.29595, w0=(387,'kJ/mol'), E0=(-13.82,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2971709432598099, var=26.335372371569747, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO + Total Standard Deviation in ln(k): 11.0345603526516"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO +Total Standard Deviation in ln(k): 11.0345603526516""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO +Total Standard Deviation in ln(k): 11.0345603526516 +""", +) + +entry( + index = 6306, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C", + kinetics = ArrheniusBM(A=(37.2009,'m^3/(mol*s)'), n=1.66756, w0=(387,'kJ/mol'), E0=(-19.4053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5317011662247018, var=50.612684771439156, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C + Total Standard Deviation in ln(k): 15.598137660021994"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C +Total Standard Deviation in ln(k): 15.598137660021994""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C +Total Standard Deviation in ln(k): 15.598137660021994 +""", +) + +entry( + index = 6307, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R", + kinetics = ArrheniusBM(A=(82.3417,'m^3/(mol*s)'), n=1.53544, w0=(387,'kJ/mol'), E0=(-20.1333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5593460734686598, var=64.0437506711335, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R + Total Standard Deviation in ln(k): 17.448753608592046"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 17.448753608592046""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 17.448753608592046 +""", +) + +entry( + index = 6308, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(29.5289,'m^3/(mol*s)'), n=1.488, w0=(387,'kJ/mol'), E0=(-22.9733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5680242899911311, var=117.68101540780557, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 23.174739443630127"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 23.174739443630127""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 23.174739443630127 +""", +) + +entry( + index = 6309, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(137.545,'m^3/(mol*s)'), n=1.78533, w0=(387,'kJ/mol'), E0=(-15.9104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8266689487582071, var=19.503768034469022, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 10.93058333280402"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 10.93058333280402""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 10.93058333280402 +""", +) + +entry( + index = 6310, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(54.8723,'m^3/(mol*s)'), n=2.14611, w0=(387,'kJ/mol'), E0=(-2.07701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6311, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(344.777,'m^3/(mol*s)'), n=1.42456, w0=(387,'kJ/mol'), E0=(-2.5311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6312, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(135.392,'m^3/(mol*s)'), n=1.91901, w0=(387,'kJ/mol'), E0=(12.3427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6313, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.296822,'m^3/(mol*s)'), n=0.462336, w0=(387,'kJ/mol'), E0=(3.30205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6314, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_6R!H->C", + kinetics = ArrheniusBM(A=(9.00599,'m^3/(mol*s)'), n=2.17439, w0=(387,'kJ/mol'), E0=(8.93095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6315, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(45520.3,'m^3/(mol*s)'), n=1.08626, w0=(387,'kJ/mol'), E0=(7.31766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6316, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00436066,'m^3/(mol*s)'), n=2.93111, w0=(387,'kJ/mol'), E0=(6.95527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17099955625783275, var=3.2016753129573408, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C + Total Standard Deviation in ln(k): 4.016764877068068"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C +Total Standard Deviation in ln(k): 4.016764877068068""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C +Total Standard Deviation in ln(k): 4.016764877068068 +""", +) + +entry( + index = 6317, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R", + kinetics = ArrheniusBM(A=(0.005664,'m^3/(mol*s)'), n=2.91883, w0=(387,'kJ/mol'), E0=(-4.76456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3136132081571909, var=2.3834756761327527, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R + Total Standard Deviation in ln(k): 3.882984986814883"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 3.882984986814883""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 3.882984986814883 +""", +) + +entry( + index = 6318, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.00154754,'m^3/(mol*s)'), n=3.08478, w0=(387,'kJ/mol'), E0=(-3.32774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2873029209559125, var=3.2132014854844475, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C + Total Standard Deviation in ln(k): 4.315435476686427"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 4.315435476686427""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 4.315435476686427 +""", +) + +entry( + index = 6319, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R", + kinetics = ArrheniusBM(A=(0.00305479,'m^3/(mol*s)'), n=2.99866, w0=(387,'kJ/mol'), E0=(-6.29453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3712777709346486, var=5.843580433261111, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R + Total Standard Deviation in ln(k): 5.779004815948869"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.779004815948869""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R +Total Standard Deviation in ln(k): 5.779004815948869 +""", +) + +entry( + index = 6320, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.00192534,'m^3/(mol*s)'), n=3.20132, w0=(387,'kJ/mol'), E0=(-0.721283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5222745088992885, var=2.063878875540348, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C + Total Standard Deviation in ln(k): 4.19229130827216"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.19229130827216""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C +Total Standard Deviation in ln(k): 4.19229130827216 +""", +) + +entry( + index = 6321, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing", + kinetics = ArrheniusBM(A=(0.00302175,'m^3/(mol*s)'), n=3.08777, w0=(387,'kJ/mol'), E0=(11.2227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6322, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing", + kinetics = ArrheniusBM(A=(0.00122675,'m^3/(mol*s)'), n=3.31487, w0=(387,'kJ/mol'), E0=(3.44733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_7R!H->C_N-6C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6323, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.00769002,'m^3/(mol*s)'), n=2.59332, w0=(387,'kJ/mol'), E0=(3.68206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-6C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6324, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.01635,'m^3/(mol*s)'), n=2.25503, w0=(387,'kJ/mol'), E0=(12.7833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-1CNO-R_N-Sp-5R!H-1CNO_N-5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6325, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R", + kinetics = ArrheniusBM(A=(4.46316e-05,'m^3/(mol*s)'), n=3.11126, w0=(387,'kJ/mol'), E0=(-8.47732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6208079146576848, var=64.27276236439673, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R + Total Standard Deviation in ln(k): 17.631839181279567"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R +Total Standard Deviation in ln(k): 17.631839181279567""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R +Total Standard Deviation in ln(k): 17.631839181279567 +""", +) + +entry( + index = 6326, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.54904e-05,'m^3/(mol*s)'), n=3.06787, w0=(387,'kJ/mol'), E0=(-17.5427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6298704507910563, var=118.03180787799639, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 23.362521048341275"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 23.362521048341275""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 23.362521048341275 +""", +) + +entry( + index = 6327, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(7.96445e-05,'m^3/(mol*s)'), n=3.35304, w0=(387,'kJ/mol'), E0=(-13.2981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8873623488767893, var=20.1640171105461, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.23168856857315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.23168856857315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.23168856857315 +""", +) + +entry( + index = 6328, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C", + kinetics = ArrheniusBM(A=(3.86317e-05,'m^3/(mol*s)'), n=3.68948, w0=(387,'kJ/mol'), E0=(6.28102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6329, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.000164198,'m^3/(mol*s)'), n=3.01659, w0=(387,'kJ/mol'), E0=(7.23104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6330, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(6.43659e-05,'m^3/(mol*s)'), n=3.51104, w0=(387,'kJ/mol'), E0=(11.4726,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6331, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.4102e-07,'m^3/(mol*s)'), n=2.05437, w0=(387,'kJ/mol'), E0=(12.2154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6332, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.73562e-05,'m^3/(mol*s)'), n=3.53588, w0=(387,'kJ/mol'), E0=(13.5758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6333, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0320036,'m^3/(mol*s)'), n=2.62963, w0=(387,'kJ/mol'), E0=(15.4189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_4BrCFNOS->S_Ext-3S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6334, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S", + kinetics = ArrheniusBM(A=(1.06563e+13,'m^3/(mol*s)'), n=-1.64431, w0=(387.527,'kJ/mol'), E0=(36.2672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.8280131420511925, var=70.27339391669375, Tref=1000.0, N=182, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S',), comment="""BM rule fitted to 182 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S + Total Standard Deviation in ln(k): 28.93622558464222"""), + rank = 11, + shortDesc = """BM rule fitted to 182 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 28.93622558464222""", + longDesc = +""" +BM rule fitted to 182 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 28.93622558464222 +""", +) + +entry( + index = 6335, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C", + kinetics = ArrheniusBM(A=(5.29354e+11,'m^3/(mol*s)'), n=-1.27317, w0=(387,'kJ/mol'), E0=(30.5904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.366756016747236, var=106.5321204928192, Tref=1000.0, N=178, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C',), comment="""BM rule fitted to 178 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C + Total Standard Deviation in ln(k): 39.20118973632523"""), + rank = 11, + shortDesc = """BM rule fitted to 178 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C +Total Standard Deviation in ln(k): 39.20118973632523""", + longDesc = +""" +BM rule fitted to 178 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C +Total Standard Deviation in ln(k): 39.20118973632523 +""", +) + +entry( + index = 6336, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(8.54648e-07,'m^3/(mol*s)'), n=3.50453, w0=(387,'kJ/mol'), E0=(21.3212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2006153415593846, var=44.491077596981704, Tref=1000.0, N=140, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 140 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 13.875968858603034"""), + rank = 11, + shortDesc = """BM rule fitted to 140 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 13.875968858603034""", + longDesc = +""" +BM rule fitted to 140 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 13.875968858603034 +""", +) + +entry( + index = 6337, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.0630175,'m^3/(mol*s)'), n=2.04748, w0=(387,'kJ/mol'), E0=(31.4375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040893123762003845, var=45.990557377231205, Tref=1000.0, N=111, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C',), comment="""BM rule fitted to 111 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C + Total Standard Deviation in ln(k): 13.698125759173092"""), + rank = 11, + shortDesc = """BM rule fitted to 111 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C +Total Standard Deviation in ln(k): 13.698125759173092""", + longDesc = +""" +BM rule fitted to 111 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C +Total Standard Deviation in ln(k): 13.698125759173092 +""", +) + +entry( + index = 6338, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO", + kinetics = ArrheniusBM(A=(1.60785e+13,'m^3/(mol*s)'), n=-1.67541, w0=(387,'kJ/mol'), E0=(48.1678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38368288413199264, var=13.943817727428586, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO + Total Standard Deviation in ln(k): 8.449993134316895"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO +Total Standard Deviation in ln(k): 8.449993134316895""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO +Total Standard Deviation in ln(k): 8.449993134316895 +""", +) + +entry( + index = 6339, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.53716e+16,'m^3/(mol*s)'), n=-2.78509, w0=(387,'kJ/mol'), E0=(52.1114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46040894288745293, var=75.52686025720412, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R + Total Standard Deviation in ln(k): 18.579195333508107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R +Total Standard Deviation in ln(k): 18.579195333508107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R +Total Standard Deviation in ln(k): 18.579195333508107 +""", +) + +entry( + index = 6340, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(0.216379,'m^3/(mol*s)'), n=2.0574, w0=(387,'kJ/mol'), E0=(7.72565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6341, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(2.33676e+10,'m^3/(mol*s)'), n=-0.736779, w0=(387,'kJ/mol'), E0=(-204.497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6342, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO", + kinetics = ArrheniusBM(A=(2.80275,'m^3/(mol*s)'), n=1.5521, w0=(387,'kJ/mol'), E0=(38.4849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0452836635198224, var=47.70812659515411, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO + Total Standard Deviation in ln(k): 13.960697660624263"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO +Total Standard Deviation in ln(k): 13.960697660624263""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO +Total Standard Deviation in ln(k): 13.960697660624263 +""", +) + +entry( + index = 6343, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO", + kinetics = ArrheniusBM(A=(1.79112e-05,'m^3/(mol*s)'), n=3.13333, w0=(387,'kJ/mol'), E0=(23.5911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24028774791787838, var=53.55012559633415, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO + Total Standard Deviation in ln(k): 15.273978650729893"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 15.273978650729893""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 15.273978650729893 +""", +) + +entry( + index = 6344, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R", + kinetics = ArrheniusBM(A=(0.0110582,'m^3/(mol*s)'), n=2.28663, w0=(387,'kJ/mol'), E0=(32.9753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1713455373516107, var=61.62692350592055, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R + Total Standard Deviation in ln(k): 16.168251610970604"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R +Total Standard Deviation in ln(k): 16.168251610970604""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R +Total Standard Deviation in ln(k): 16.168251610970604 +""", +) + +entry( + index = 6345, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.33986e-14,'m^3/(mol*s)'), n=5.37402, w0=(387,'kJ/mol'), E0=(-56.8701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.89440985475959, var=89.45949709736288, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 21.20865289279713"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 21.20865289279713""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 21.20865289279713 +""", +) + +entry( + index = 6346, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2686.46,'m^3/(mol*s)'), n=1.03331, w0=(387,'kJ/mol'), E0=(43.9888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12876661584839294, var=24.793116198252697, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 10.305648714855716"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 10.305648714855716""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 10.305648714855716 +""", +) + +entry( + index = 6347, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(0.121396,'m^3/(mol*s)'), n=2.58717, w0=(387,'kJ/mol'), E0=(21.1633,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4734988419321103, var=5.487339025147205, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 5.885801526169243"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 5.885801526169243""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 5.885801526169243 +""", +) + +entry( + index = 6348, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.17317,'m^3/(mol*s)'), n=2.13614, w0=(387,'kJ/mol'), E0=(23.7117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4875657742034134, var=7.084245141250607, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.56089169278201"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.56089169278201""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.56089169278201 +""", +) + +entry( + index = 6349, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.0048089,'m^3/(mol*s)'), n=3.14188, w0=(387,'kJ/mol'), E0=(12.6523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6350, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.83828e-09,'m^3/(mol*s)'), n=4.49805, w0=(387,'kJ/mol'), E0=(0.0397223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18477281725579223, var=8.400710819537265, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.274773397745262"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.274773397745262""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.274773397745262 +""", +) + +entry( + index = 6351, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.76049e-05,'m^3/(mol*s)'), n=3.34574, w0=(387,'kJ/mol'), E0=(15.2392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6352, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.67312,'m^3/(mol*s)'), n=2.11551, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6353, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(3.2482e+09,'m^3/(mol*s)'), n=-1.01836, w0=(387,'kJ/mol'), E0=(70.9759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015156553568038304, var=20.706584310762302, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 9.160526126593734"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 9.160526126593734""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 9.160526126593734 +""", +) + +entry( + index = 6354, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.95607e+10,'m^3/(mol*s)'), n=-1.46069, w0=(387,'kJ/mol'), E0=(73.8922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036297107501441106, var=27.414556883829054, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.587773555813326"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.587773555813326""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.587773555813326 +""", +) + +entry( + index = 6355, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.29106e-09,'m^3/(mol*s)'), n=3.8799, w0=(387,'kJ/mol'), E0=(39.4394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3967819200315155, var=14.15489580125241, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 8.53935281691158"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 8.53935281691158""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 8.53935281691158 +""", +) + +entry( + index = 6356, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.76883e-09,'m^3/(mol*s)'), n=3.62315, w0=(387,'kJ/mol'), E0=(37.8033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6357, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.0191508,'m^3/(mol*s)'), n=2.71232, w0=(387,'kJ/mol'), E0=(16.6684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6358, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.08177e-08,'m^3/(mol*s)'), n=3.74131, w0=(387,'kJ/mol'), E0=(10.8441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6359, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(13596,'m^3/(mol*s)'), n=-1.37424, w0=(387,'kJ/mol'), E0=(63.2929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3828124470538614, var=8.632058546926713, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 6.851825173870923"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.851825173870923""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 6.851825173870923 +""", +) + +entry( + index = 6360, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(159447,'m^3/(mol*s)'), n=-1.73522, w0=(387,'kJ/mol'), E0=(65.1509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.356598355862263, var=11.285057909843204, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 7.6305304792108775"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.6305304792108775""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 7.6305304792108775 +""", +) + +entry( + index = 6361, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.000685071,'m^3/(mol*s)'), n=0.566132, w0=(387,'kJ/mol'), E0=(43.5867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27350675698655696, var=11.083769993401647, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 7.361426346271128"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 7.361426346271128""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 7.361426346271128 +""", +) + +entry( + index = 6362, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.50085e-11,'m^3/(mol*s)'), n=2.66268, w0=(387,'kJ/mol'), E0=(35.2548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01984365409936363, var=11.598885500746421, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.877412055386836"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.877412055386836""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.877412055386836 +""", +) + +entry( + index = 6363, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.13577e-12,'m^3/(mol*s)'), n=2.61069, w0=(387,'kJ/mol'), E0=(31.0624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6364, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.54668e-10,'m^3/(mol*s)'), n=2.26301, w0=(387,'kJ/mol'), E0=(5.21978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6365, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(1.08845e-06,'m^3/(mol*s)'), n=1.84743, w0=(387,'kJ/mol'), E0=(22.5072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6366, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(811447,'m^3/(mol*s)'), n=0.47183, w0=(387,'kJ/mol'), E0=(51.5719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017799688843320293, var=6.1328198300367065, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.009355182194151"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.009355182194151""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.009355182194151 +""", +) + +entry( + index = 6367, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(2.05851,'m^3/(mol*s)'), n=2.02566, w0=(387,'kJ/mol'), E0=(37.335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011031418999259024, var=7.431988027717957, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 5.492960302244078"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.492960302244078""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 5.492960302244078 +""", +) + +entry( + index = 6368, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.90609e-05,'m^3/(mol*s)'), n=3.32368, w0=(387,'kJ/mol'), E0=(35.5697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15967978868121654, var=9.970785008779798, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R + Total Standard Deviation in ln(k): 6.731467211360529"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.731467211360529""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R +Total Standard Deviation in ln(k): 6.731467211360529 +""", +) + +entry( + index = 6369, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000106822,'m^3/(mol*s)'), n=3.00634, w0=(387,'kJ/mol'), E0=(34.425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-8R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6370, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000200555,'m^3/(mol*s)'), n=3.1245, w0=(387,'kJ/mol'), E0=(12.4694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6371, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.00799582,'m^3/(mol*s)'), n=2.96344, w0=(387,'kJ/mol'), E0=(9.46636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6372, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(238157,'m^3/(mol*s)'), n=0.605936, w0=(387,'kJ/mol'), E0=(56.9648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09201875416799773, var=4.148964160365863, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 4.314649034109882"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.314649034109882""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 4.314649034109882 +""", +) + +entry( + index = 6373, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(863062,'m^3/(mol*s)'), n=0.406441, w0=(387,'kJ/mol'), E0=(57.7092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09997958741784096, var=5.260667866979077, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.849294607157067"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.849294607157067""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.849294607157067 +""", +) + +entry( + index = 6374, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(278.984,'m^3/(mol*s)'), n=1.36969, w0=(387,'kJ/mol'), E0=(48.1231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11626354509342335, var=7.236668192695483, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 5.68506853819934"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 5.68506853819934""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 5.68506853819934 +""", +) + +entry( + index = 6375, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.28907e-05,'m^3/(mol*s)'), n=3.40551, w0=(387,'kJ/mol'), E0=(38.8846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.385191196730294, var=8.313424879915475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.748071808231722"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.748071808231722""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.748071808231722 +""", +) + +entry( + index = 6376, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.1043e-06,'m^3/(mol*s)'), n=3.45834, w0=(387,'kJ/mol'), E0=(34.5858,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6377, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000371507,'m^3/(mol*s)'), n=3.03293, w0=(387,'kJ/mol'), E0=(11.0047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6378, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(0.118346,'m^3/(mol*s)'), n=2.52002, w0=(387,'kJ/mol'), E0=(26.7482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6379, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(255.249,'m^3/(mol*s)'), n=1.42448, w0=(387,'kJ/mol'), E0=(35.1164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3495949029805828, var=8.194291615457795, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.61706825489015"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.61706825489015""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.61706825489015 +""", +) + +entry( + index = 6380, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(8.8577e-10,'m^3/(mol*s)'), n=4.66304, w0=(387,'kJ/mol'), E0=(1.07418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1291294522714825, var=4.301956447246377, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 4.482498604938149"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.482498604938149""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 4.482498604938149 +""", +) + +entry( + index = 6381, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.4905e-12,'m^3/(mol*s)'), n=5.41204, w0=(387,'kJ/mol'), E0=(4.23933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.050792802423118795, var=10.94640649895123, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.760357079557887"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.760357079557887""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.760357079557887 +""", +) + +entry( + index = 6382, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000470239,'m^3/(mol*s)'), n=2.78413, w0=(387,'kJ/mol'), E0=(28.3786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-7R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6383, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.00076209,'m^3/(mol*s)'), n=2.90229, w0=(387,'kJ/mol'), E0=(6.09642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6384, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(0.00281199,'m^3/(mol*s)'), n=3.02416, w0=(387,'kJ/mol'), E0=(11.7926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-3S-R_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6385, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.30992e-07,'m^3/(mol*s)'), n=3.70755, w0=(387,'kJ/mol'), E0=(12.6131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19477639116063664, var=8.249220481240647, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R + Total Standard Deviation in ln(k): 6.247278995832543"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R +Total Standard Deviation in ln(k): 6.247278995832543""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R +Total Standard Deviation in ln(k): 6.247278995832543 +""", +) + +entry( + index = 6386, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(1.86022e-09,'m^3/(mol*s)'), n=4.44251, w0=(387,'kJ/mol'), E0=(0.801778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13125029483935724, var=4.77335614069693, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 4.709722147395309"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 4.709722147395309""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 4.709722147395309 +""", +) + +entry( + index = 6387, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.4166e-13,'m^3/(mol*s)'), n=5.42536, w0=(387,'kJ/mol'), E0=(7.19786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023392789189036034, var=9.103592317957604, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.107494579357006"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.107494579357006""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.107494579357006 +""", +) + +entry( + index = 6388, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000167041,'m^3/(mol*s)'), n=2.74757, w0=(387,'kJ/mol'), E0=(33.1512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6389, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0207695,'m^3/(mol*s)'), n=2.36151, w0=(387,'kJ/mol'), E0=(1.73486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6390, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(0.00050922,'m^3/(mol*s)'), n=3.11535, w0=(387,'kJ/mol'), E0=(11.6843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_N-Sp-5C=4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6391, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.09264e+06,'m^3/(mol*s)'), n=-0.314483, w0=(387,'kJ/mol'), E0=(53.9747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33532701642600704, var=48.236846060779705, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R + Total Standard Deviation in ln(k): 14.765966784935738"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R +Total Standard Deviation in ln(k): 14.765966784935738""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R +Total Standard Deviation in ln(k): 14.765966784935738 +""", +) + +entry( + index = 6392, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(433.607,'m^3/(mol*s)'), n=0.442174, w0=(387,'kJ/mol'), E0=(43.947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3303625163447556, var=50.63907669108907, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 15.09597967495899"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 15.09597967495899""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 15.09597967495899 +""", +) + +entry( + index = 6393, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(13002.6,'m^3/(mol*s)'), n=0.078768, w0=(387,'kJ/mol'), E0=(58.2137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3431167106056043, var=62.507029821656594, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 16.711815952548612"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.711815952548612""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.711815952548612 +""", +) + +entry( + index = 6394, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R", + kinetics = ArrheniusBM(A=(6346.31,'m^3/(mol*s)'), n=0.114881, w0=(387,'kJ/mol'), E0=(57.1864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32396364368234354, var=78.30493273865643, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R + Total Standard Deviation in ln(k): 18.553894626734003"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R +Total Standard Deviation in ln(k): 18.553894626734003""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R +Total Standard Deviation in ln(k): 18.553894626734003 +""", +) + +entry( + index = 6395, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C", + kinetics = ArrheniusBM(A=(87711.9,'m^3/(mol*s)'), n=-0.290939, w0=(387,'kJ/mol'), E0=(59.6288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.370757908706967, var=103.06263352841513, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C + Total Standard Deviation in ln(k): 21.283576587624896"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C +Total Standard Deviation in ln(k): 21.283576587624896""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C +Total Standard Deviation in ln(k): 21.283576587624896 +""", +) + +entry( + index = 6396, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R", + kinetics = ArrheniusBM(A=(9552.42,'m^3/(mol*s)'), n=-0.173669, w0=(387,'kJ/mol'), E0=(58.4384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28682585505429725, var=140.18647791588384, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R + Total Standard Deviation in ln(k): 24.456805617603518"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 24.456805617603518""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R +Total Standard Deviation in ln(k): 24.456805617603518 +""", +) + +entry( + index = 6397, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C", + kinetics = ArrheniusBM(A=(395137,'m^3/(mol*s)'), n=-0.213663, w0=(387,'kJ/mol'), E0=(60.3604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39938370256420536, var=206.2782742415793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C + Total Standard Deviation in ln(k): 29.796265603095136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C +Total Standard Deviation in ln(k): 29.796265603095136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C +Total Standard Deviation in ln(k): 29.796265603095136 +""", +) + +entry( + index = 6398, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_10R!H->C", + kinetics = ArrheniusBM(A=(5.88521e-06,'m^3/(mol*s)'), n=3.30425, w0=(387,'kJ/mol'), E0=(9.17608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6399, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_N-10R!H->C", + kinetics = ArrheniusBM(A=(3.82495e-10,'m^3/(mol*s)'), n=3.67224, w0=(387,'kJ/mol'), E0=(38.9839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_N-10R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_N-10R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_Sp-10R!H=9C_N-10R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6400, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_9C-inRing", + kinetics = ArrheniusBM(A=(1.72403e-05,'m^3/(mol*s)'), n=3.05543, w0=(387,'kJ/mol'), E0=(35.4044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_9C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_9C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6401, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_N-9C-inRing", + kinetics = ArrheniusBM(A=(4.07358e-12,'m^3/(mol*s)'), n=2.65978, w0=(387,'kJ/mol'), E0=(26.141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_N-9C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_N-9C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_N-9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_9R!H->C_Ext-9C-R_N-9C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6402, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.19317e-07,'m^3/(mol*s)'), n=3.50743, w0=(387,'kJ/mol'), E0=(32.934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-6R!H-R_Ext-3S-R_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6403, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R", + kinetics = ArrheniusBM(A=(9.16022e-16,'m^3/(mol*s)'), n=5.40106, w0=(387,'kJ/mol'), E0=(-56.8284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5618555009699234, var=89.27047850208142, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R + Total Standard Deviation in ln(k): 20.35304687471414"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R +Total Standard Deviation in ln(k): 20.35304687471414""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R +Total Standard Deviation in ln(k): 20.35304687471414 +""", +) + +entry( + index = 6404, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.61507e-17,'m^3/(mol*s)'), n=5.58461, w0=(387,'kJ/mol'), E0=(-81.2502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7398199779062344, var=166.54075659843483, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 30.24264765119184"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 30.24264765119184""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 30.24264765119184 +""", +) + +entry( + index = 6405, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(16.8164,'m^3/(mol*s)'), n=1.005, w0=(387,'kJ/mol'), E0=(27.1559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15375485036030415, var=109.03747123602156, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 21.319964678320005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 21.319964678320005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 21.319964678320005 +""", +) + +entry( + index = 6406, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C", + kinetics = ArrheniusBM(A=(0.0547568,'m^3/(mol*s)'), n=2.02824, w0=(387,'kJ/mol'), E0=(3.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6407, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C", + kinetics = ArrheniusBM(A=(4.04001e-08,'m^3/(mol*s)'), n=3.16396, w0=(387,'kJ/mol'), E0=(17.4727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6408, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000335786,'m^3/(mol*s)'), n=2.54715, w0=(387,'kJ/mol'), E0=(18.5964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6409, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(6.40399e-11,'m^3/(mol*s)'), n=2.15151, w0=(387,'kJ/mol'), E0=(7.93563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6410, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.00196606,'m^3/(mol*s)'), n=2.32494, w0=(387,'kJ/mol'), E0=(14.179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6411, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(6.34596e-06,'m^3/(mol*s)'), n=2.99915, w0=(387,'kJ/mol'), E0=(14.2068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Ext-1C-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6412, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(1505.83,'m^3/(mol*s)'), n=0.705832, w0=(387,'kJ/mol'), E0=(42.9234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2003752659876218, var=48.3420963910223, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 14.44207387125761"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 14.44207387125761""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 14.44207387125761 +""", +) + +entry( + index = 6413, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.85782e+09,'m^3/(mol*s)'), n=-1.41487, w0=(387,'kJ/mol'), E0=(64.1097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4960030018933608, var=61.62058372878618, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R + Total Standard Deviation in ln(k): 16.983164364941327"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.983164364941327""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.983164364941327 +""", +) + +entry( + index = 6414, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R", + kinetics = ArrheniusBM(A=(4.77855e+09,'m^3/(mol*s)'), n=-1.37543, w0=(387,'kJ/mol'), E0=(63.2835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4738299127781568, var=77.16974793902328, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R + Total Standard Deviation in ln(k): 18.801386026492796"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R +Total Standard Deviation in ln(k): 18.801386026492796""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R +Total Standard Deviation in ln(k): 18.801386026492796 +""", +) + +entry( + index = 6415, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.20383e+10,'m^3/(mol*s)'), n=-1.86988, w0=(387,'kJ/mol'), E0=(66.6505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.464058368931353, var=137.9243950260425, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 24.709828571032244"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 24.709828571032244""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 24.709828571032244 +""", +) + +entry( + index = 6416, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.50397e+11,'m^3/(mol*s)'), n=-1.6028, w0=(387,'kJ/mol'), E0=(65.3333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.812169024774264, var=214.70206770959146, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 31.415438171381158"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 31.415438171381158""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 31.415438171381158 +""", +) + +entry( + index = 6417, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C", + kinetics = ArrheniusBM(A=(3.06029,'m^3/(mol*s)'), n=1.8511, w0=(387,'kJ/mol'), E0=(2.2627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6418, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C", + kinetics = ArrheniusBM(A=(2.52485e-08,'m^3/(mol*s)'), n=3.38587, w0=(387,'kJ/mol'), E0=(34.6157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-9R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6419, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000757344,'m^3/(mol*s)'), n=2.76906, w0=(387,'kJ/mol'), E0=(30.7195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6420, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(2.48103e-10,'m^3/(mol*s)'), n=2.37341, w0=(387,'kJ/mol'), E0=(23.5579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6421, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_8R!H->C", + kinetics = ArrheniusBM(A=(0.00797454,'m^3/(mol*s)'), n=2.54685, w0=(387,'kJ/mol'), E0=(23.0453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6422, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_N-8R!H->C", + kinetics = ArrheniusBM(A=(7.08846e-06,'m^3/(mol*s)'), n=3.22106, w0=(387,'kJ/mol'), E0=(29.9991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-6R!H-R_Ext-3S-R_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6423, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R", + kinetics = ArrheniusBM(A=(3.74321e-17,'m^3/(mol*s)'), n=6.40472, w0=(387,'kJ/mol'), E0=(-51.2794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1560795794146466, var=76.51683072701883, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R + Total Standard Deviation in ln(k): 20.440922005650044"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R +Total Standard Deviation in ln(k): 20.440922005650044""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R +Total Standard Deviation in ln(k): 20.440922005650044 +""", +) + +entry( + index = 6424, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.02443e-18,'m^3/(mol*s)'), n=6.5628, w0=(387,'kJ/mol'), E0=(-73.9106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.979586809018638, var=192.47832645485985, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 37.81196635221185"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 37.81196635221185""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 37.81196635221185 +""", +) + +entry( + index = 6425, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(4.14116e-20,'m^3/(mol*s)'), n=7.53164, w0=(387,'kJ/mol'), E0=(-50.8805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5410045260438625, var=80.57822086879476, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 19.354886938269377"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 19.354886938269377""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 19.354886938269377 +""", +) + +entry( + index = 6426, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C", + kinetics = ArrheniusBM(A=(1.19031e-05,'m^3/(mol*s)'), n=3.67404, w0=(387,'kJ/mol'), E0=(4.25302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6427, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(1.31271e-08,'m^3/(mol*s)'), n=3.95145, w0=(387,'kJ/mol'), E0=(21.6168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6428, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(7.22931e-05,'m^3/(mol*s)'), n=3.33464, w0=(387,'kJ/mol'), E0=(22.8357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6429, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(1.92236e-11,'m^3/(mol*s)'), n=2.939, w0=(387,'kJ/mol'), E0=(14.5997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6430, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.000429854,'m^3/(mol*s)'), n=3.11244, w0=(387,'kJ/mol'), E0=(18.2956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6431, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.00571e-06,'m^3/(mol*s)'), n=3.78664, w0=(387,'kJ/mol'), E0=(19.7183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_Sp-6R!H-1C_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6432, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(4.64669e-06,'m^3/(mol*s)'), n=3.6151, w0=(387,'kJ/mol'), E0=(-24.3563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06505010623933948, var=54.99985324169458, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 15.030935890236222"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 15.030935890236222""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 15.030935890236222 +""", +) + +entry( + index = 6433, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R", + kinetics = ArrheniusBM(A=(5.78911e-06,'m^3/(mol*s)'), n=3.55714, w0=(387,'kJ/mol'), E0=(-373.286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12023101747599962, var=68.4339271677172, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R + Total Standard Deviation in ln(k): 16.886219036851845"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R +Total Standard Deviation in ln(k): 16.886219036851845""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R +Total Standard Deviation in ln(k): 16.886219036851845 +""", +) + +entry( + index = 6434, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.08976e-06,'m^3/(mol*s)'), n=3.52593, w0=(387,'kJ/mol'), E0=(-276.641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1349613482953556, var=129.33769345990686, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 23.138295554172227"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 23.138295554172227""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 23.138295554172227 +""", +) + +entry( + index = 6435, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.9219e-05,'m^3/(mol*s)'), n=3.79892, w0=(387,'kJ/mol'), E0=(-0.969498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19479751053368363, var=8.565369634282327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 6.356629518643336"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 6.356629518643336""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 6.356629518643336 +""", +) + +entry( + index = 6436, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C", + kinetics = ArrheniusBM(A=(0.0037115,'m^3/(mol*s)'), n=3.27278, w0=(387,'kJ/mol'), E0=(26.7942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6437, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C", + kinetics = ArrheniusBM(A=(5.04019e-05,'m^3/(mol*s)'), n=3.55019, w0=(387,'kJ/mol'), E0=(22.6404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-8R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6438, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.0225508,'m^3/(mol*s)'), n=2.93338, w0=(387,'kJ/mol'), E0=(37.3639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6439, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(9.35992e-09,'m^3/(mol*s)'), n=2.53773, w0=(387,'kJ/mol'), E0=(30.2965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6440, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_7R!H->C", + kinetics = ArrheniusBM(A=(0.0769596,'m^3/(mol*s)'), n=2.71117, w0=(387,'kJ/mol'), E0=(32.7175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6441, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000287999,'m^3/(mol*s)'), n=3.36751, w0=(387,'kJ/mol'), E0=(29.6772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-1C-R_N-Sp-6R!H-1C_Ext-3S-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6442, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R", + kinetics = ArrheniusBM(A=(1.37522e-15,'m^3/(mol*s)'), n=5.98293, w0=(387,'kJ/mol'), E0=(-39.5144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.51947010983742, var=67.47485549328086, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R + Total Standard Deviation in ln(k): 20.285275427255506"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R +Total Standard Deviation in ln(k): 20.285275427255506""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R +Total Standard Deviation in ln(k): 20.285275427255506 +""", +) + +entry( + index = 6443, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(5.5663e-06,'m^3/(mol*s)'), n=3.67106, w0=(387,'kJ/mol'), E0=(28.1418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6444, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(7.24578e-17,'m^3/(mol*s)'), n=6.26103, w0=(387,'kJ/mol'), E0=(-47.5412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9010599962338017, var=88.06276383510088, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 23.58931994870003"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 23.58931994870003""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 23.58931994870003 +""", +) + +entry( + index = 6445, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.13983e-25,'m^3/(mol*s)'), n=8.39157, w0=(387,'kJ/mol'), E0=(-85.7281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.356915072528212, var=210.0424780810948, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 40.00133213551404"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 40.00133213551404""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 40.00133213551404 +""", +) + +entry( + index = 6446, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.59763e-20,'m^3/(mol*s)'), n=7.69327, w0=(387,'kJ/mol'), E0=(-34.8866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7018151325193736, var=65.02902498638349, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 17.929653742442827"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 17.929653742442827""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 17.929653742442827 +""", +) + +entry( + index = 6447, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(9.19509e-07,'m^3/(mol*s)'), n=4.01046, w0=(387,'kJ/mol'), E0=(13.9555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6448, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.52363e-09,'m^3/(mol*s)'), n=4.28787, w0=(387,'kJ/mol'), E0=(26.6782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6449, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2.06663e-12,'m^3/(mol*s)'), n=3.27541, w0=(387,'kJ/mol'), E0=(21.0942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6450, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_6R!H->C", + kinetics = ArrheniusBM(A=(3.33821e-05,'m^3/(mol*s)'), n=3.44885, w0=(387,'kJ/mol'), E0=(23.8796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6451, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_N-6R!H->C", + kinetics = ArrheniusBM(A=(5.68347e-08,'m^3/(mol*s)'), n=4.12306, w0=(387,'kJ/mol'), E0=(23.6208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_N-Sp-5C-4BrCFNO_Ext-3S-R_N-6R!H-inRing_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6452, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R", + kinetics = ArrheniusBM(A=(2.57295e-08,'m^3/(mol*s)'), n=3.87312, w0=(387,'kJ/mol'), E0=(-28.6501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9705665531776329, var=46.79217120327917, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R + Total Standard Deviation in ln(k): 16.15196030239294"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 16.15196030239294""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 16.15196030239294 +""", +) + +entry( + index = 6453, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.05576e-09,'m^3/(mol*s)'), n=3.93348, w0=(387,'kJ/mol'), E0=(-51.1327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1050836901135719, var=65.80293887398055, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 19.038804793795972"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 19.038804793795972""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 19.038804793795972 +""", +) + +entry( + index = 6454, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(1.01737e-05,'m^3/(mol*s)'), n=1.29981, w0=(387,'kJ/mol'), E0=(23.0049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10940225402545667, var=1.9810927998206147, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 3.0965706859330075"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 3.0965706859330075""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 3.0965706859330075 +""", +) + +entry( + index = 6455, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.59323e-07,'m^3/(mol*s)'), n=1.6033, w0=(387,'kJ/mol'), E0=(-5.24403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.038272909309020914, var=0.010270040821128139, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R + Total Standard Deviation in ln(k): 0.29932536695985995"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 0.29932536695985995""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R +Total Standard Deviation in ln(k): 0.29932536695985995 +""", +) + +entry( + index = 6456, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.04056e-06,'m^3/(mol*s)'), n=1.35347, w0=(387,'kJ/mol'), E0=(-39.1618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H#6R!H_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6457, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(3.97831e-08,'m^3/(mol*s)'), n=4.15562, w0=(387,'kJ/mol'), E0=(-18.1445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9662661131981104, var=6.5657606706393805, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 7.564685404262013"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 7.564685404262013""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 7.564685404262013 +""", +) + +entry( + index = 6458, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.000106205,'m^3/(mol*s)'), n=2.83213, w0=(387,'kJ/mol'), E0=(25.3072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7534907289947492, var=3.2872459065442485, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 5.527930574004657"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 5.527930574004657""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 5.527930574004657 +""", +) + +entry( + index = 6459, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.72837e-08,'m^3/(mol*s)'), n=3.67492, w0=(387,'kJ/mol'), E0=(11.3959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.841153377465046, var=0.05344173858501404, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 2.5768947127836186"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 2.5768947127836186""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 2.5768947127836186 +""", +) + +entry( + index = 6460, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.99158e-08,'m^3/(mol*s)'), n=3.62965, w0=(387,'kJ/mol'), E0=(0.396148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-7R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6461, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.00588701,'m^3/(mol*s)'), n=2.78753, w0=(387,'kJ/mol'), E0=(21.4067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5125315081290579, var=1.7436412231422098, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing + Total Standard Deviation in ln(k): 3.9349602895329663"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 3.9349602895329663""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing +Total Standard Deviation in ln(k): 3.9349602895329663 +""", +) + +entry( + index = 6462, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.66086e-06,'m^3/(mol*s)'), n=3.52229, w0=(387,'kJ/mol'), E0=(-2.36087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44803624326846475, var=0.12106130496841665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 1.8232440229462177"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.8232440229462177""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 1.8232440229462177 +""", +) + +entry( + index = 6463, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.85614e-05,'m^3/(mol*s)'), n=3.34546, w0=(387,'kJ/mol'), E0=(3.48825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_6R!H-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6464, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.000282538,'m^3/(mol*s)'), n=3.28068, w0=(387,'kJ/mol'), E0=(6.8295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.488976372837529, var=0.9863909132248394, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing + Total Standard Deviation in ln(k): 3.2196308919773116"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 3.2196308919773116""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing +Total Standard Deviation in ln(k): 3.2196308919773116 +""", +) + +entry( + index = 6465, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000520264,'m^3/(mol*s)'), n=3.11261, w0=(387,'kJ/mol'), E0=(4.08534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0201928711513117, var=0.037127122012816455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 2.9495790352985787"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.9495790352985787""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 2.9495790352985787 +""", +) + +entry( + index = 6466, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.20261e-08,'m^3/(mol*s)'), n=4.17448, w0=(387,'kJ/mol'), E0=(-10.3705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_Ext-6R!H-R_N-Sp-7R!H#6R!H_N-6R!H-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6467, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.000709002,'m^3/(mol*s)'), n=3.05014, w0=(387,'kJ/mol'), E0=(15.1781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23385081561811308, var=1.200181626518497, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C + Total Standard Deviation in ln(k): 2.7838082986055714"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 2.7838082986055714""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 2.7838082986055714 +""", +) + +entry( + index = 6468, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.41368e-06,'m^3/(mol*s)'), n=3.5431, w0=(387,'kJ/mol'), E0=(7.45893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1666716886561921, var=0.17646414080076894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 1.2609148834225772"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.2609148834225772""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.2609148834225772 +""", +) + +entry( + index = 6469, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.27363e-06,'m^3/(mol*s)'), n=3.61287, w0=(387,'kJ/mol'), E0=(4.65915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6470, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.00344014,'m^3/(mol*s)'), n=2.77421, w0=(387,'kJ/mol'), E0=(10.6189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6969222507560386, var=0.8822120913742026, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 3.6340313284632484"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.6340313284632484""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 3.6340313284632484 +""", +) + +entry( + index = 6471, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0220332,'m^3/(mol*s)'), n=2.47055, w0=(387,'kJ/mol'), E0=(-1.89813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5883422865633917, var=0.7411356088135793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.204108008750845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.204108008750845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.204108008750845 +""", +) + +entry( + index = 6472, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.116673,'m^3/(mol*s)'), n=2.26939, w0=(387,'kJ/mol'), E0=(-6.26533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6473, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000144541,'m^3/(mol*s)'), n=3.01226, w0=(387,'kJ/mol'), E0=(12.4852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05439071864468547, var=0.8618095120718406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 1.997729765281822"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.997729765281822""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.997729765281822 +""", +) + +entry( + index = 6474, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.53327e-06,'m^3/(mol*s)'), n=3.50625, w0=(387,'kJ/mol'), E0=(2.51654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6475, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.51994e-22,'m^3/(mol*s)'), n=8.11162, w0=(387,'kJ/mol'), E0=(-50.713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.2792950425561287, var=50.74697412431619, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C + Total Standard Deviation in ln(k): 20.007985287423793"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C +Total Standard Deviation in ln(k): 20.007985287423793""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C +Total Standard Deviation in ln(k): 20.007985287423793 +""", +) + +entry( + index = 6476, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R", + kinetics = ArrheniusBM(A=(2.63292e-16,'m^3/(mol*s)'), n=6.20283, w0=(387,'kJ/mol'), E0=(11.7322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38988302386330986, var=60.655668688372316, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R + Total Standard Deviation in ln(k): 16.592833051968082"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 16.592833051968082""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R +Total Standard Deviation in ln(k): 16.592833051968082 +""", +) + +entry( + index = 6477, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.2407e-20,'m^3/(mol*s)'), n=7.2265, w0=(387,'kJ/mol'), E0=(-37.6976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4637999621067069, var=93.37868498447355, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 20.537612277613533"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 20.537612277613533""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 20.537612277613533 +""", +) + +entry( + index = 6478, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1.0703e-13,'m^3/(mol*s)'), n=5.76444, w0=(387,'kJ/mol'), E0=(24.1791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07239015221217393, var=29.221536611826842, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.018870851046037"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.018870851046037""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.018870851046037 +""", +) + +entry( + index = 6479, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(1.82882e-11,'m^3/(mol*s)'), n=5.37591, w0=(387,'kJ/mol'), E0=(18.1295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07103346101482283, var=3.614157639408424, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 3.9896654605641073"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 3.9896654605641073""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 3.9896654605641073 +""", +) + +entry( + index = 6480, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.89273e-12,'m^3/(mol*s)'), n=5.49301, w0=(387,'kJ/mol'), E0=(14.7483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06313588158994053, var=6.503978402925333, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.271288421114606"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.271288421114606""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.271288421114606 +""", +) + +entry( + index = 6481, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.53548,'m^3/(mol*s)'), n=2.31685, w0=(387,'kJ/mol'), E0=(39.3049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21595637967170617, var=13.919833089712538, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 8.022128713472734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 8.022128713472734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 8.022128713472734 +""", +) + +entry( + index = 6482, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.114479,'m^3/(mol*s)'), n=2.65869, w0=(387,'kJ/mol'), E0=(56.7022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6483, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.000991752,'m^3/(mol*s)'), n=3.31804, w0=(387,'kJ/mol'), E0=(66.3848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6484, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(11.7056,'m^3/(mol*s)'), n=1.49094, w0=(387,'kJ/mol'), E0=(77.0715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9865308273699517, var=12.988853066307566, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 9.703796199823516"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 9.703796199823516""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 9.703796199823516 +""", +) + +entry( + index = 6485, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(153.329,'m^3/(mol*s)'), n=1.19357, w0=(387,'kJ/mol'), E0=(80.1573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3124951409701613, var=21.23922066580515, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 12.53675437102189"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.53675437102189""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 12.53675437102189 +""", +) + +entry( + index = 6486, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(1.2887e-20,'m^3/(mol*s)'), n=7.32853, w0=(387,'kJ/mol'), E0=(11.9343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4327058120484537, var=7.361630027966322, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 6.526512687679282"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 6.526512687679282""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 6.526512687679282 +""", +) + +entry( + index = 6487, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.48972e-05,'m^3/(mol*s)'), n=2.9361, w0=(387,'kJ/mol'), E0=(75.7507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6488, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(1.34452e-05,'m^3/(mol*s)'), n=3.59545, w0=(387,'kJ/mol'), E0=(71.0872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6489, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(8.93906e-12,'m^3/(mol*s)'), n=2.977, w0=(387,'kJ/mol'), E0=(46.7016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3846776566156601, var=2.694021516226843, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.256993622076995"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.256993622076995""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.256993622076995 +""", +) + +entry( + index = 6490, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.96447e-12,'m^3/(mol*s)'), n=3.12979, w0=(387,'kJ/mol'), E0=(45.6122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.625299665400289, var=4.493906134931625, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 5.820909537844484"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.820909537844484""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 5.820909537844484 +""", +) + +entry( + index = 6491, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(6.51199e-18,'m^3/(mol*s)'), n=4.60517, w0=(387,'kJ/mol'), E0=(19.0547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1552946952213469, var=3.3084393908218805, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 4.036623553829426"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 4.036623553829426""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 4.036623553829426 +""", +) + +entry( + index = 6492, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.20916e-08,'m^3/(mol*s)'), n=1.92365, w0=(387,'kJ/mol'), E0=(64.243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6493, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(2.50003e-09,'m^3/(mol*s)'), n=2.583, w0=(387,'kJ/mol'), E0=(75.7487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6494, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.46646e-13,'m^3/(mol*s)'), n=5.87396, w0=(387,'kJ/mol'), E0=(22.4434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8514856472585303, var=2.4315564543677097, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.265484552440905"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.265484552440905""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.265484552440905 +""", +) + +entry( + index = 6495, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(1.50507e-14,'m^3/(mol*s)'), n=6.08449, w0=(387,'kJ/mol'), E0=(13.0069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19311905079921327, var=4.636095917416497, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C + Total Standard Deviation in ln(k): 4.801738162160357"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 4.801738162160357""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C +Total Standard Deviation in ln(k): 4.801738162160357 +""", +) + +entry( + index = 6496, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.69506,'m^3/(mol*s)'), n=2.31929, w0=(387,'kJ/mol'), E0=(70.0316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_Sp-8R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6497, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C", + kinetics = ArrheniusBM(A=(0.00601779,'m^3/(mol*s)'), n=2.97865, w0=(387,'kJ/mol'), E0=(78.5005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_Ext-6R!H-R_Ext-1C-R_N-Sp-8R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6498, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.32022e-14,'m^3/(mol*s)'), n=6.19048, w0=(387,'kJ/mol'), E0=(18.1169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2726730120352015, var=3.9174511971119577, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C + Total Standard Deviation in ln(k): 4.65299042251172"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 4.65299042251172""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C +Total Standard Deviation in ln(k): 4.65299042251172 +""", +) + +entry( + index = 6499, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.18334e-17,'m^3/(mol*s)'), n=6.98847, w0=(387,'kJ/mol'), E0=(-14.0044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19720374051231457, var=7.735497043527742, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 6.071208650588694"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.071208650588694""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 6.071208650588694 +""", +) + +entry( + index = 6500, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(0.0117307,'m^3/(mol*s)'), n=2.73877, w0=(387,'kJ/mol'), E0=(46.5744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20315747224558178, var=13.011488541634074, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 7.741814212056446"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 7.741814212056446""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 7.741814212056446 +""", +) + +entry( + index = 6501, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.75634,'m^3/(mol*s)'), n=2.09708, w0=(387,'kJ/mol'), E0=(72.8549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6502, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(0.0206227,'m^3/(mol*s)'), n=2.75644, w0=(387,'kJ/mol'), E0=(72.3199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6503, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.08183e-11,'m^3/(mol*s)'), n=5.07081, w0=(387,'kJ/mol'), E0=(28.4109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32340561443165533, var=0.17590590768696474, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C + Total Standard Deviation in ln(k): 1.6533856308388786"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.6533856308388786""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C +Total Standard Deviation in ln(k): 1.6533856308388786 +""", +) + +entry( + index = 6504, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.15761e-11,'m^3/(mol*s)'), n=5.17349, w0=(387,'kJ/mol'), E0=(27.7778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18847775036893036, var=2.7114704382964794, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.774667855637828"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.774667855637828""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.774667855637828 +""", +) + +entry( + index = 6505, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(2.02919e-07,'m^3/(mol*s)'), n=3.97686, w0=(387,'kJ/mol'), E0=(35.4667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7640675764008308, var=0.07012440295029669, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 2.450641928790211"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 2.450641928790211""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 2.450641928790211 +""", +) + +entry( + index = 6506, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0127449,'m^3/(mol*s)'), n=2.77129, w0=(387,'kJ/mol'), E0=(64.1021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6507, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(6.6565e-05,'m^3/(mol*s)'), n=3.43064, w0=(387,'kJ/mol'), E0=(79.5282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-3S-R_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6508, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.51773e-05,'m^3/(mol*s)'), n=3.54218, w0=(387,'kJ/mol'), E0=(17.4539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.4876604380501535, var=51.98484888135244, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 23.217209945334286"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 23.217209945334286""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 23.217209945334286 +""", +) + +entry( + index = 6509, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(70.5695,'m^3/(mol*s)'), n=1.63235, w0=(387,'kJ/mol'), E0=(36.231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.772341837298999, var=54.76794391197054, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 24.314361399228172"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 24.314361399228172""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 24.314361399228172 +""", +) + +entry( + index = 6510, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.37163,'m^3/(mol*s)'), n=2.06053, w0=(387,'kJ/mol'), E0=(78.3846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6511, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(0.0104204,'m^3/(mol*s)'), n=2.71988, w0=(387,'kJ/mol'), E0=(69.1405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_Ext-4BrCFNO-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6512, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1", + kinetics = ArrheniusBM(A=(0.010675,'m^3/(mol*s)'), n=2.72778, w0=(387,'kJ/mol'), E0=(-9.75075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.49978319171503105, var=21.694603274740597, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1 + Total Standard Deviation in ln(k): 10.59328462847007"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1 +Total Standard Deviation in ln(k): 10.59328462847007""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1 +Total Standard Deviation in ln(k): 10.59328462847007 +""", +) + +entry( + index = 6513, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R", + kinetics = ArrheniusBM(A=(129.649,'m^3/(mol*s)'), n=1.3691, w0=(387,'kJ/mol'), E0=(-19.0761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1273408908744494, var=40.13057427278439, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R + Total Standard Deviation in ln(k): 13.019687510244474"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R +Total Standard Deviation in ln(k): 13.019687510244474""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R +Total Standard Deviation in ln(k): 13.019687510244474 +""", +) + +entry( + index = 6514, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(75.421,'m^3/(mol*s)'), n=1.27925, w0=(387,'kJ/mol'), E0=(-21.7299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11550302553363043, var=59.18618570571443, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 15.713148485949773"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 15.713148485949773""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 15.713148485949773 +""", +) + +entry( + index = 6515, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(210.447,'m^3/(mol*s)'), n=1.61209, w0=(387,'kJ/mol'), E0=(-16.4984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12700747796222264, var=3.0435465458637996, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.8165276156241865"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.8165276156241865""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.8165276156241865 +""", +) + +entry( + index = 6516, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C", + kinetics = ArrheniusBM(A=(191.981,'m^3/(mol*s)'), n=1.794, w0=(387,'kJ/mol'), E0=(8.93807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12501300442536717, var=2.6270891852354445, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C + Total Standard Deviation in ln(k): 3.5634373465208475"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C +Total Standard Deviation in ln(k): 3.5634373465208475""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C +Total Standard Deviation in ln(k): 3.5634373465208475 +""", +) + +entry( + index = 6517, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2071.11,'m^3/(mol*s)'), n=1.50387, w0=(387,'kJ/mol'), E0=(9.75598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011045847727767335, var=3.2191297408627544, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.6246357103311353"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.6246357103311353""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.6246357103311353 +""", +) + +entry( + index = 6518, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.464876,'m^3/(mol*s)'), n=2.60266, w0=(387,'kJ/mol'), E0=(-1.05465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6519, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.00886e+07,'m^3/(mol*s)'), n=0.418664, w0=(387,'kJ/mol'), E0=(7.85652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6520, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(66.2858,'m^3/(mol*s)'), n=1.78605, w0=(387,'kJ/mol'), E0=(-2.65924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6521, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(2681.93,'m^3/(mol*s)'), n=1.51136, w0=(387,'kJ/mol'), E0=(4.87938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6522, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + kinetics = ArrheniusBM(A=(290.755,'m^3/(mol*s)'), n=1.40218, w0=(387,'kJ/mol'), E0=(11.1532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1056119569816215, var=1.9671523695696302, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + Total Standard Deviation in ln(k): 3.077102051677715"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 3.077102051677715""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 3.077102051677715 +""", +) + +entry( + index = 6523, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(27789.1,'m^3/(mol*s)'), n=0.834724, w0=(387,'kJ/mol'), E0=(25.8614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10321247682189913, var=2.3770928481946445, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.350193011692522"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.350193011692522""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.350193011692522 +""", +) + +entry( + index = 6524, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.22735,'m^3/(mol*s)'), n=2.1731, w0=(387,'kJ/mol'), E0=(3.51513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6525, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.5773e+07,'m^3/(mol*s)'), n=0.0377703, w0=(387,'kJ/mol'), E0=(-18.3083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6526, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(116.214,'m^3/(mol*s)'), n=1.35649, w0=(387,'kJ/mol'), E0=(2.03053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6527, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(7083.67,'m^3/(mol*s)'), n=1.0818, w0=(387,'kJ/mol'), E0=(8.63419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6528, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.04631,'m^3/(mol*s)'), n=0.0160687, w0=(387,'kJ/mol'), E0=(6.98423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45421716666241607, var=4.309192112099838, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 5.302797251490344"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 5.302797251490344""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 5.302797251490344 +""", +) + +entry( + index = 6529, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R", + kinetics = ArrheniusBM(A=(31.4862,'m^3/(mol*s)'), n=-0.412641, w0=(387,'kJ/mol'), E0=(5.03591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4986981087341495, var=6.2151271318163985, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R + Total Standard Deviation in ln(k): 6.250846285977184"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.250846285977184""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R +Total Standard Deviation in ln(k): 6.250846285977184 +""", +) + +entry( + index = 6530, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(124743,'m^3/(mol*s)'), n=-1.4111, w0=(387,'kJ/mol'), E0=(-20.5828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6531, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(0.119845,'m^3/(mol*s)'), n=0.150939, w0=(387,'kJ/mol'), E0=(3.91767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6532, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_N-Sp-7R!H-1C", + kinetics = ArrheniusBM(A=(2.08795,'m^3/(mol*s)'), n=0.0222439, w0=(387,'kJ/mol'), E0=(12.3243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_N-Sp-7R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_N-Sp-7R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing_Ext-1C-R_N-Sp-7R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6533, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2085.78,'m^3/(mol*s)'), n=1.38908, w0=(387,'kJ/mol'), E0=(8.7369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21966329458502168, var=2.9839173640601873, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.014901030451965"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.014901030451965""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.014901030451965 +""", +) + +entry( + index = 6534, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.34396e+07,'m^3/(mol*s)'), n=0.240229, w0=(387,'kJ/mol'), E0=(-2.51029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6535, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C", + kinetics = ArrheniusBM(A=(2.40615e+07,'m^3/(mol*s)'), n=0.171121, w0=(387,'kJ/mol'), E0=(43.5503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11334087567726862, var=7.36696210504014, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C + Total Standard Deviation in ln(k): 5.726057732661802"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.726057732661802""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C +Total Standard Deviation in ln(k): 5.726057732661802 +""", +) + +entry( + index = 6536, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_Sp-7C-1C", + kinetics = ArrheniusBM(A=(110.511,'m^3/(mol*s)'), n=1.60761, w0=(387,'kJ/mol'), E0=(12.4763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6537, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C-1C", + kinetics = ArrheniusBM(A=(4472.93,'m^3/(mol*s)'), n=1.33292, w0=(387,'kJ/mol'), E0=(18.6758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_7R!H->C_N-Sp-7C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6538, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(1.14503,'m^3/(mol*s)'), n=2.37556, w0=(387,'kJ/mol'), E0=(12.5909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_Ext-5R!H-R_Ext-1C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6539, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C", + kinetics = ArrheniusBM(A=(3.7954,'m^3/(mol*s)'), n=2.11742, w0=(387,'kJ/mol'), E0=(10.1096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23714027599942003, var=2.358986103066859, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C + Total Standard Deviation in ln(k): 3.674900677950013"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C +Total Standard Deviation in ln(k): 3.674900677950013""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C +Total Standard Deviation in ln(k): 3.674900677950013 +""", +) + +entry( + index = 6540, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(117.951,'m^3/(mol*s)'), n=1.67452, w0=(387,'kJ/mol'), E0=(10.7822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32721153757839777, var=2.7676265833146405, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 4.157253946045512"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.157253946045512""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 4.157253946045512 +""", +) + +entry( + index = 6541, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.0832875,'m^3/(mol*s)'), n=2.63094, w0=(387,'kJ/mol'), E0=(5.9891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6542, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(226204,'m^3/(mol*s)'), n=0.7876, w0=(387,'kJ/mol'), E0=(-1.8394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6543, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(3.62721,'m^3/(mol*s)'), n=1.96032, w0=(387,'kJ/mol'), E0=(10.0863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6544, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(478.775,'m^3/(mol*s)'), n=1.53964, w0=(387,'kJ/mol'), E0=(14.7382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_5R!H->C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6545, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(9850.94,'m^3/(mol*s)'), n=1.14175, w0=(387,'kJ/mol'), E0=(6.28014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014001202758850978, var=3.0523395800648325, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C + Total Standard Deviation in ln(k): 3.5376407517625186"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.5376407517625186""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.5376407517625186 +""", +) + +entry( + index = 6546, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(78447.3,'m^3/(mol*s)'), n=0.89699, w0=(387,'kJ/mol'), E0=(8.08688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.047171501736059926, var=3.738668855339588, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 3.9948044766341884"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.9948044766341884""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 3.9948044766341884 +""", +) + +entry( + index = 6547, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(23.0978,'m^3/(mol*s)'), n=1.93213, w0=(387,'kJ/mol'), E0=(13.9165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6548, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.7386e+09,'m^3/(mol*s)'), n=-0.300526, w0=(387,'kJ/mol'), E0=(-3.34956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6549, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(4490.89,'m^3/(mol*s)'), n=1.11552, w0=(387,'kJ/mol'), E0=(12.7272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6550, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C", + kinetics = ArrheniusBM(A=(133316,'m^3/(mol*s)'), n=0.840831, w0=(387,'kJ/mol'), E0=(18.585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-3S-R_N-5R!H->C_Ext-1C-R_N-Sp-6R!H-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6551, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000286548,'m^3/(mol*s)'), n=3.32947, w0=(387,'kJ/mol'), E0=(-5.08014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5856904108562919, var=2.3969507237172256, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R + Total Standard Deviation in ln(k): 4.575332587720099"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R +Total Standard Deviation in ln(k): 4.575332587720099""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R +Total Standard Deviation in ln(k): 4.575332587720099 +""", +) + +entry( + index = 6552, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(8764.09,'m^3/(mol*s)'), n=0.942778, w0=(387,'kJ/mol'), E0=(19.514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2520878585660678, var=7.247526866944166, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 6.030380220849192"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 6.030380220849192""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 6.030380220849192 +""", +) + +entry( + index = 6553, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(112778,'m^3/(mol*s)'), n=0.781457, w0=(387,'kJ/mol'), E0=(-10.5077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6554, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Sp-5C-1C", + kinetics = ArrheniusBM(A=(1.29157,'m^3/(mol*s)'), n=1.9007, w0=(387,'kJ/mol'), E0=(0.177204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38921780568019276, var=2.5567116975665103, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Sp-5C-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Sp-5C-1C + Total Standard Deviation in ln(k): 4.1834495922395"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Sp-5C-1C +Total Standard Deviation in ln(k): 4.1834495922395""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_Sp-5C-1C +Total Standard Deviation in ln(k): 4.1834495922395 +""", +) + +entry( + index = 6555, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_N-Sp-5C-1C", + kinetics = ArrheniusBM(A=(138.374,'m^3/(mol*s)'), n=1.58216, w0=(387,'kJ/mol'), E0=(11.253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_N-Sp-5C-1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_N-Sp-5C-1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_N-Sp-5C-1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_5R!H->C_N-Sp-5C-1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6556, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.000186104,'m^3/(mol*s)'), n=3.41309, w0=(387,'kJ/mol'), E0=(-3.86097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8976276369261271, var=2.2240373084561176, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 5.245048658495593"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 5.245048658495593""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 5.245048658495593 +""", +) + +entry( + index = 6557, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(0.0119,'m^3/(mol*s)'), n=2.9, w0=(387,'kJ/mol'), E0=(2.21161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6558, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(0.0256564,'m^3/(mol*s)'), n=2.66546, w0=(387,'kJ/mol'), E0=(3.85609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_3S-u1_Ext-1C-R_N-5R!H->C_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6559, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_N-3S-u1", + kinetics = ArrheniusBM(A=(3.46912e+09,'m^3/(mol*s)'), n=-0.638486, w0=(387,'kJ/mol'), E0=(-20.6778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_N-3S-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_N-3S-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_1CNO->C_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6560, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C", + kinetics = ArrheniusBM(A=(1.09728e+06,'m^3/(mol*s)'), n=0.456532, w0=(411,'kJ/mol'), E0=(65.5098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2972291800914254, var=10.923367473231856, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C + Total Standard Deviation in ln(k): 7.372560283221753"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C +Total Standard Deviation in ln(k): 7.372560283221753""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C +Total Standard Deviation in ln(k): 7.372560283221753 +""", +) + +entry( + index = 6561, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(1.82839e-09,'m^3/(mol*s)'), n=4.77506, w0=(411,'kJ/mol'), E0=(45.6261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18885338004862945, var=11.237836785926211, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 7.194955906512218"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 7.194955906512218""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 7.194955906512218 +""", +) + +entry( + index = 6562, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R_Ext-3S-R", + kinetics = ArrheniusBM(A=(2.95e-12,'m^3/(mol*s)'), n=5.63, w0=(411,'kJ/mol'), E0=(51.3448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R_Ext-3S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R_Ext-3S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-4BrCFNO-R_Ext-3S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6563, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-3S-R", + kinetics = ArrheniusBM(A=(2.3949,'m^3/(mol*s)'), n=2.11924, w0=(411,'kJ/mol'), E0=(12.7884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-3S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-3S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-3S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_3BrHINOS->S_N-4BrCFNOS->S_N-1CNO->C_Ext-3S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6564, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S", + kinetics = ArrheniusBM(A=(611.191,'m^3/(mol*s)'), n=1.1964, w0=(428.79,'kJ/mol'), E0=(40.0622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10104004701557306, var=7.012417972955176, Tref=1000.0, N=591, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S',), comment="""BM rule fitted to 591 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S + Total Standard Deviation in ln(k): 5.562602504321617"""), + rank = 11, + shortDesc = """BM rule fitted to 591 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S +Total Standard Deviation in ln(k): 5.562602504321617""", + longDesc = +""" +BM rule fitted to 591 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S +Total Standard Deviation in ln(k): 5.562602504321617 +""", +) + +entry( + index = 6565, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R", + kinetics = ArrheniusBM(A=(1.31513e+08,'m^3/(mol*s)'), n=-0.420658, w0=(428.997,'kJ/mol'), E0=(55.1385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0003029993152448401, var=5.543458348002626, Tref=1000.0, N=336, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R',), comment="""BM rule fitted to 336 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R + Total Standard Deviation in ln(k): 4.720819831874386"""), + rank = 11, + shortDesc = """BM rule fitted to 336 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R +Total Standard Deviation in ln(k): 4.720819831874386""", + longDesc = +""" +BM rule fitted to 336 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R +Total Standard Deviation in ln(k): 4.720819831874386 +""", +) + +entry( + index = 6566, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S", + kinetics = ArrheniusBM(A=(1.30836e-09,'m^3/(mol*s)'), n=4.1834, w0=(426.9,'kJ/mol'), E0=(17.0252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015581492478044683, var=1.1543587856760975, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S + Total Standard Deviation in ln(k): 2.1930587007460463"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S +Total Standard Deviation in ln(k): 2.1930587007460463""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S +Total Standard Deviation in ln(k): 2.1930587007460463 +""", +) + +entry( + index = 6567, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R", + kinetics = ArrheniusBM(A=(2.44068e-09,'m^3/(mol*s)'), n=4.07527, w0=(428.25,'kJ/mol'), E0=(18.0096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016447561809593513, var=1.3197625843085043, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R + Total Standard Deviation in ln(k): 2.344383638158296"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R +Total Standard Deviation in ln(k): 2.344383638158296""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R +Total Standard Deviation in ln(k): 2.344383638158296 +""", +) + +entry( + index = 6568, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O", + kinetics = ArrheniusBM(A=(4.30715e-05,'m^3/(mol*s)'), n=2.66815, w0=(435,'kJ/mol'), E0=(11.9255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11872740220046678, var=1.7676409255930723, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O + Total Standard Deviation in ln(k): 2.9636586260286193"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O +Total Standard Deviation in ln(k): 2.9636586260286193""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O +Total Standard Deviation in ln(k): 2.9636586260286193 +""", +) + +entry( + index = 6569, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O_Ext-4S-R", + kinetics = ArrheniusBM(A=(4.11667e-08,'m^3/(mol*s)'), n=3.68, w0=(435,'kJ/mol'), E0=(29.3878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O_Ext-4S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O_Ext-4S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_3BrHINO->O_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6570, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O", + kinetics = ArrheniusBM(A=(9.16176e-05,'m^3/(mol*s)'), n=2.955, w0=(421.5,'kJ/mol'), E0=(40.062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06288228410876454, var=2.16102935404664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O + Total Standard Deviation in ln(k): 3.105044455448814"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O +Total Standard Deviation in ln(k): 3.105044455448814""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O +Total Standard Deviation in ln(k): 3.105044455448814 +""", +) + +entry( + index = 6571, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O_Ext-4S-R", + kinetics = ArrheniusBM(A=(0.000101333,'m^3/(mol*s)'), n=2.96, w0=(421.5,'kJ/mol'), E0=(45.5441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O_Ext-4S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O_Ext-4S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_4BrCFNOS->S_Ext-4S-R_N-3BrHINO->O_Ext-4S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6572, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S", + kinetics = ArrheniusBM(A=(1.11933e+08,'m^3/(mol*s)'), n=-0.397225, w0=(429.029,'kJ/mol'), E0=(54.791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010582918910845264, var=5.476101607853313, Tref=1000.0, N=331, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S',), comment="""BM rule fitted to 331 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S + Total Standard Deviation in ln(k): 4.717885194542859"""), + rank = 11, + shortDesc = """BM rule fitted to 331 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 4.717885194542859""", + longDesc = +""" +BM rule fitted to 331 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S +Total Standard Deviation in ln(k): 4.717885194542859 +""", +) + +entry( + index = 6573, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO", + kinetics = ArrheniusBM(A=(1.14279e+09,'m^3/(mol*s)'), n=-0.761506, w0=(431.182,'kJ/mol'), E0=(51.6432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09838044337096695, var=4.906897749823625, Tref=1000.0, N=198, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO',), comment="""BM rule fitted to 198 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO + Total Standard Deviation in ln(k): 4.687979673242819"""), + rank = 11, + shortDesc = """BM rule fitted to 198 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO +Total Standard Deviation in ln(k): 4.687979673242819""", + longDesc = +""" +BM rule fitted to 198 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO +Total Standard Deviation in ln(k): 4.687979673242819 +""", +) + +entry( + index = 6574, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O", + kinetics = ArrheniusBM(A=(1.29989e+09,'m^3/(mol*s)'), n=-0.708166, w0=(436.527,'kJ/mol'), E0=(51.6432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2659556637462955, var=5.249607403231718, Tref=1000.0, N=149, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O',), comment="""BM rule fitted to 149 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O + Total Standard Deviation in ln(k): 5.2614836790164325"""), + rank = 11, + shortDesc = """BM rule fitted to 149 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O +Total Standard Deviation in ln(k): 5.2614836790164325""", + longDesc = +""" +BM rule fitted to 149 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O +Total Standard Deviation in ln(k): 5.2614836790164325 +""", +) + +entry( + index = 6575, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(0.275696,'m^3/(mol*s)'), n=2.13058, w0=(436.846,'kJ/mol'), E0=(11.6916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46226227780097673, var=1.6816624192641678, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1 + Total Standard Deviation in ln(k): 3.7611819536599427"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1 +Total Standard Deviation in ln(k): 3.7611819536599427""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1 +Total Standard Deviation in ln(k): 3.7611819536599427 +""", +) + +entry( + index = 6576, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O", + kinetics = ArrheniusBM(A=(3.31802e+06,'m^3/(mol*s)'), n=0.0649943, w0=(435,'kJ/mol'), E0=(27.7616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6788122810207055, var=0.6582738518361265, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O + Total Standard Deviation in ln(k): 3.332081804732221"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O +Total Standard Deviation in ln(k): 3.332081804732221""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O +Total Standard Deviation in ln(k): 3.332081804732221 +""", +) + +entry( + index = 6577, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C", + kinetics = ArrheniusBM(A=(5.81977e-05,'m^3/(mol*s)'), n=3.43379, w0=(435,'kJ/mol'), E0=(18.4469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5571914273587318, var=2.1558307458058503, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C + Total Standard Deviation in ln(k): 4.34348035822546"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C +Total Standard Deviation in ln(k): 4.34348035822546""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C +Total Standard Deviation in ln(k): 4.34348035822546 +""", +) + +entry( + index = 6578, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-5O-R", + kinetics = ArrheniusBM(A=(5.22577e-05,'m^3/(mol*s)'), n=3.37863, w0=(435,'kJ/mol'), E0=(15.5924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-5O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-5O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-5O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-5O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6579, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.0475697,'m^3/(mol*s)'), n=2.60174, w0=(435,'kJ/mol'), E0=(56.5997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1049242313549077, var=32.979717190754826, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.77641527665944"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.77641527665944""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.77641527665944 +""", +) + +entry( + index = 6580, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.078,'m^3/(mol*s)'), n=2.5, w0=(435,'kJ/mol'), E0=(37.7859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_4BrCFNO->C_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6581, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_N-4BrCFNO->C", + kinetics = ArrheniusBM(A=(5.33333e+06,'m^3/(mol*s)'), n=5.57537e-08, w0=(435,'kJ/mol'), E0=(27.9176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_N-4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_N-4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_5R!H->O_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6582, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O", + kinetics = ArrheniusBM(A=(0.032849,'m^3/(mol*s)'), n=2.43083, w0=(437.286,'kJ/mol'), E0=(10.4103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1808964540231404, var=1.629563960975724, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O + Total Standard Deviation in ln(k): 5.52620856312235"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O +Total Standard Deviation in ln(k): 5.52620856312235""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O +Total Standard Deviation in ln(k): 5.52620856312235 +""", +) + +entry( + index = 6583, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl", + kinetics = ArrheniusBM(A=(6.58836e-06,'m^3/(mol*s)'), n=3.80874, w0=(435,'kJ/mol'), E0=(22.2321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07587293619307042, var=0.03656592135936469, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl + Total Standard Deviation in ln(k): 0.573985325886924"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl +Total Standard Deviation in ln(k): 0.573985325886924""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl +Total Standard Deviation in ln(k): 0.573985325886924 +""", +) + +entry( + index = 6584, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.02161e-06,'m^3/(mol*s)'), n=4.0678, w0=(435,'kJ/mol'), E0=(22.8339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6585, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(2.00734e-05,'m^3/(mol*s)'), n=3.65704, w0=(435,'kJ/mol'), E0=(21.2448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_5BrCClFN->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6586, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl", + kinetics = ArrheniusBM(A=(0.0370377,'m^3/(mol*s)'), n=2.41363, w0=(437.667,'kJ/mol'), E0=(9.91311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.211720613111121, var=1.7723872047423763, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl + Total Standard Deviation in ln(k): 5.7134486785060545"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl +Total Standard Deviation in ln(k): 5.7134486785060545""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl +Total Standard Deviation in ln(k): 5.7134486785060545 +""", +) + +entry( + index = 6587, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.0505425,'m^3/(mol*s)'), n=2.71786, w0=(435,'kJ/mol'), E0=(32.3587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10206537645554356, var=1.266106843034245, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 2.5122019096481747"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 2.5122019096481747""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 2.5122019096481747 +""", +) + +entry( + index = 6588, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(14.0455,'m^3/(mol*s)'), n=2.03836, w0=(435,'kJ/mol'), E0=(38.4429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18466274490979337, var=1.0115784759297415, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C + Total Standard Deviation in ln(k): 2.4802843102844414"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.4802843102844414""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.4802843102844414 +""", +) + +entry( + index = 6589, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(78.4778,'m^3/(mol*s)'), n=1.84364, w0=(435,'kJ/mol'), E0=(40.0646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19627262242076932, var=1.1609744062402088, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.653219714861436"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.653219714861436""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.653219714861436 +""", +) + +entry( + index = 6590, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_7R!H->O", + kinetics = ArrheniusBM(A=(0.059021,'m^3/(mol*s)'), n=2.82899, w0=(435,'kJ/mol'), E0=(28.5544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_7R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_7R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6591, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(7.1755,'m^3/(mol*s)'), n=2.12624, w0=(435,'kJ/mol'), E0=(37.8414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12980127457336244, var=1.4522639373377733, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O + Total Standard Deviation in ln(k): 2.742038373498161"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O +Total Standard Deviation in ln(k): 2.742038373498161""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O +Total Standard Deviation in ln(k): 2.742038373498161 +""", +) + +entry( + index = 6592, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(0.000315265,'m^3/(mol*s)'), n=3.54891, w0=(435,'kJ/mol'), E0=(21.4267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_7BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6593, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(6.81632e-06,'m^3/(mol*s)'), n=3.81686, w0=(435,'kJ/mol'), E0=(23.3851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03291364019938201, var=0.4721172140013222, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C + Total Standard Deviation in ln(k): 1.460166821314873"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 1.460166821314873""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C +Total Standard Deviation in ln(k): 1.460166821314873 +""", +) + +entry( + index = 6594, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_5BrCF->Br", + kinetics = ArrheniusBM(A=(6.32352e-06,'m^3/(mol*s)'), n=3.85055, w0=(435,'kJ/mol'), E0=(20.0439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_5BrCF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_5BrCF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_5BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_5BrCF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6595, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br", + kinetics = ArrheniusBM(A=(5.3798e-06,'m^3/(mol*s)'), n=3.84022, w0=(435,'kJ/mol'), E0=(23.9415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08262829946754971, var=0.3261486218647391, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br + Total Standard Deviation in ln(k): 1.3525014320919815"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br +Total Standard Deviation in ln(k): 1.3525014320919815""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br +Total Standard Deviation in ln(k): 1.3525014320919815 +""", +) + +entry( + index = 6596, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(7.17523e-07,'m^3/(mol*s)'), n=4.10896, w0=(435,'kJ/mol'), E0=(25.4701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08966278864327372, var=0.04236385227994839, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R + Total Standard Deviation in ln(k): 0.6379076043150894"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.6379076043150894""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.6379076043150894 +""", +) + +entry( + index = 6597, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(4.56928e-07,'m^3/(mol*s)'), n=4.16696, w0=(435,'kJ/mol'), E0=(25.8756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6598, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(4.368e-06,'m^3/(mol*s)'), n=3.87124, w0=(435,'kJ/mol'), E0=(22.802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-1CNO-R_N-7R!H->O_N-7BrCClFINPSSi->C_N-5BrCF->Br_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6599, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(3.66366e-08,'m^3/(mol*s)'), n=4.4427, w0=(435,'kJ/mol'), E0=(20.5566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_N-6R!H->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6600, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.0725,'m^3/(mol*s)'), n=2.47, w0=(435,'kJ/mol'), E0=(43.5534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_Ext-4BrCFNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6601, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C", + kinetics = ArrheniusBM(A=(0.0740781,'m^3/(mol*s)'), n=2.68234, w0=(435,'kJ/mol'), E0=(22.8619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1521040200507326, var=3.94499995176455, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C + Total Standard Deviation in ln(k): 4.363980515631248"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C +Total Standard Deviation in ln(k): 4.363980515631248""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C +Total Standard Deviation in ln(k): 4.363980515631248 +""", +) + +entry( + index = 6602, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.21275,'m^3/(mol*s)'), n=2.56564, w0=(435,'kJ/mol'), E0=(24.9465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1792997412422713, var=6.093411418735495, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R + Total Standard Deviation in ln(k): 5.399157578237074"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.399157578237074""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R +Total Standard Deviation in ln(k): 5.399157578237074 +""", +) + +entry( + index = 6603, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.33488e-05,'m^3/(mol*s)'), n=3.64579, w0=(435,'kJ/mol'), E0=(15.784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0011119374602599822, var=0.15651179433018228, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C + Total Standard Deviation in ln(k): 0.7958985146937756"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 0.7958985146937756""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C +Total Standard Deviation in ln(k): 0.7958985146937756 +""", +) + +entry( + index = 6604, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.83191e-05,'m^3/(mol*s)'), n=3.53532, w0=(435,'kJ/mol'), E0=(18.1713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6605, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_5BrCF->C", + kinetics = ArrheniusBM(A=(8.45e-05,'m^3/(mol*s)'), n=3.43, w0=(435,'kJ/mol'), E0=(66.0828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_5BrCF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_5BrCF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_5BrCF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_5BrCF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6606, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-5BrCF->C", + kinetics = ArrheniusBM(A=(0.0347535,'m^3/(mol*s)'), n=2.90875, w0=(435,'kJ/mol'), E0=(16.5843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-5BrCF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-5BrCF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-5BrCF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_1CNO->C_Ext-1C-R_N-5BrCF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6607, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C", + kinetics = ArrheniusBM(A=(0.0625825,'m^3/(mol*s)'), n=2.33631, w0=(459,'kJ/mol'), E0=(9.18829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6009755588184184, var=0.8616402197812423, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C + Total Standard Deviation in ln(k): 3.370875707891528"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C +Total Standard Deviation in ln(k): 3.370875707891528""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C +Total Standard Deviation in ln(k): 3.370875707891528 +""", +) + +entry( + index = 6608, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_4BrCFNO->C", + kinetics = ArrheniusBM(A=(5.67573e-08,'m^3/(mol*s)'), n=4.2479, w0=(459,'kJ/mol'), E0=(-2.9227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6609, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_N-4BrCFNO->C", + kinetics = ArrheniusBM(A=(8.7e+06,'m^3/(mol*s)'), n=4.56167e-08, w0=(459,'kJ/mol'), E0=(47.9549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_N-4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_N-4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-3O-u1_N-5R!H->O_N-5BrCClFN->Cl_N-1CNO->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6610, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(6.56683e+11,'m^3/(mol*s)'), n=-1.3511, w0=(436.973,'kJ/mol'), E0=(73.5362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.983056479187402, var=4.221942594544915, Tref=1000.0, N=73, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R',), comment="""BM rule fitted to 73 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R + Total Standard Deviation in ln(k): 6.589193738938845"""), + rank = 11, + shortDesc = """BM rule fitted to 73 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 6.589193738938845""", + longDesc = +""" +BM rule fitted to 73 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 6.589193738938845 +""", +) + +entry( + index = 6611, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(2.92192e-09,'m^3/(mol*s)'), n=4.50657, w0=(436.714,'kJ/mol'), E0=(25.8514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7997992794656211, var=2.3825004594443526, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0 + Total Standard Deviation in ln(k): 5.1039247919853485"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 5.1039247919853485""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 5.1039247919853485 +""", +) + +entry( + index = 6612, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C", + kinetics = ArrheniusBM(A=(1.53038e-08,'m^3/(mol*s)'), n=4.30268, w0=(437.043,'kJ/mol'), E0=(27.4764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5658501158726046, var=1.719274877024505, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C + Total Standard Deviation in ln(k): 4.0503650964598465"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 4.0503650964598465""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 4.0503650964598465 +""", +) + +entry( + index = 6613, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(2.15268e-06,'m^3/(mol*s)'), n=3.4589, w0=(435,'kJ/mol'), E0=(33.6675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17116465306287737, var=1.7693363009140195, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 3.0966883974907824"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 3.0966883974907824""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 3.0966883974907824 +""", +) + +entry( + index = 6614, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.0333012,'m^3/(mol*s)'), n=2.24486, w0=(435,'kJ/mol'), E0=(40.3249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10805171994785742, var=1.2432117983185316, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C + Total Standard Deviation in ln(k): 2.5067544766953858"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C +Total Standard Deviation in ln(k): 2.5067544766953858""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C +Total Standard Deviation in ln(k): 2.5067544766953858 +""", +) + +entry( + index = 6615, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(8.28956e-06,'m^3/(mol*s)'), n=2.94803, w0=(435,'kJ/mol'), E0=(3.91106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23088011575693204, var=4.900074290574659e-20, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 0.580100793802896"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.580100793802896""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.580100793802896 +""", +) + +entry( + index = 6616, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O", + kinetics = ArrheniusBM(A=(3.69447e-07,'m^3/(mol*s)'), n=3.82582, w0=(435,'kJ/mol'), E0=(31.1322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29764273417595033, var=0.042863040226596705, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O + Total Standard Deviation in ln(k): 1.1628942089859753"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O +Total Standard Deviation in ln(k): 1.1628942089859753""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O +Total Standard Deviation in ln(k): 1.1628942089859753 +""", +) + +entry( + index = 6617, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(1.59277e-07,'m^3/(mol*s)'), n=3.94965, w0=(435,'kJ/mol'), E0=(30.5971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33667321154294055, var=1.5469149104988919e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O_Ext-4BrCFNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 0.8459125918165123"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 0.8459125918165123""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_7R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 0.8459125918165123 +""", +) + +entry( + index = 6618, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_N-7R!H->O", + kinetics = ArrheniusBM(A=(3.26488e-07,'m^3/(mol*s)'), n=3.86132, w0=(435,'kJ/mol'), E0=(29.2419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_N-7R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_N-7R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_N-7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_5R!H->C_N-7R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6619, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.37716e-12,'m^3/(mol*s)'), n=5.13574, w0=(435,'kJ/mol'), E0=(16.7821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26231295599830606, var=2.104804701109609, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C + Total Standard Deviation in ln(k): 3.5675364168655355"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.5675364168655355""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.5675364168655355 +""", +) + +entry( + index = 6620, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_5BrClFO->Br", + kinetics = ArrheniusBM(A=(1.14693e-11,'m^3/(mol*s)'), n=5.19491, w0=(435,'kJ/mol'), E0=(22.5228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_5BrClFO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_5BrClFO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_5BrClFO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_5BrClFO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6621, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br", + kinetics = ArrheniusBM(A=(5.875e-10,'m^3/(mol*s)'), n=4.47401, w0=(435,'kJ/mol'), E0=(28.0301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1505602832341506, var=1.9310136405639784, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br + Total Standard Deviation in ln(k): 3.1640904124466496"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br +Total Standard Deviation in ln(k): 3.1640904124466496""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br +Total Standard Deviation in ln(k): 3.1640904124466496 +""", +) + +entry( + index = 6622, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.92999e-08,'m^3/(mol*s)'), n=4.10396, w0=(435,'kJ/mol'), E0=(35.8998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041143177023179864, var=2.440984597278401, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R + Total Standard Deviation in ln(k): 3.235502866748713"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 3.235502866748713""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 3.235502866748713 +""", +) + +entry( + index = 6623, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(3.6818e-11,'m^3/(mol*s)'), n=4.97539, w0=(435,'kJ/mol'), E0=(27.7291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16626580619567546, var=0.7839450100406438, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.192759134886726"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.192759134886726""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.192759134886726 +""", +) + +entry( + index = 6624, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_5ClFO->Cl", + kinetics = ArrheniusBM(A=(1.20356e-11,'m^3/(mol*s)'), n=5.25124, w0=(435,'kJ/mol'), E0=(29.7105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_5ClFO->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_5ClFO->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_5ClFO->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_5ClFO->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6625, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl", + kinetics = ArrheniusBM(A=(1.5513e-09,'m^3/(mol*s)'), n=4.46433, w0=(435,'kJ/mol'), E0=(32.0242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031466625821900955, var=0.5984411121150899, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl + Total Standard Deviation in ln(k): 1.629904395268867"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl +Total Standard Deviation in ln(k): 1.629904395268867""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl +Total Standard Deviation in ln(k): 1.629904395268867 +""", +) + +entry( + index = 6626, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(2.23617e-10,'m^3/(mol*s)'), n=4.67627, w0=(435,'kJ/mol'), E0=(30.3017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09828607142049213, var=0.4202320024898008, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 1.5465255343746005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.5465255343746005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.5465255343746005 +""", +) + +entry( + index = 6627, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_5FO->O", + kinetics = ArrheniusBM(A=(9.87207e-10,'m^3/(mol*s)'), n=4.41779, w0=(435,'kJ/mol'), E0=(29.4328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_5FO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_5FO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_5FO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_5FO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6628, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_N-5FO->O", + kinetics = ArrheniusBM(A=(7.72705e-11,'m^3/(mol*s)'), n=4.8822, w0=(435,'kJ/mol'), E0=(31.7456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_N-5FO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_N-5FO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_N-5FO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-1CNO-R_N-5ClFO->Cl_Ext-4BrCFNO-R_N-5FO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6629, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(1.65319e-11,'m^3/(mol*s)'), n=4.73116, w0=(435,'kJ/mol'), E0=(32.9627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6630, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F", + kinetics = ArrheniusBM(A=(5.71344e-07,'m^3/(mol*s)'), n=3.47173, w0=(435,'kJ/mol'), E0=(36.3614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18073853978083482, var=10.173508700997461, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F + Total Standard Deviation in ln(k): 6.848407536533331"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F +Total Standard Deviation in ln(k): 6.848407536533331""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F +Total Standard Deviation in ln(k): 6.848407536533331 +""", +) + +entry( + index = 6631, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(4.14819e-09,'m^3/(mol*s)'), n=4.19638, w0=(435,'kJ/mol'), E0=(23.7528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_5ClFO->F_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6632, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F", + kinetics = ArrheniusBM(A=(4.27698e-08,'m^3/(mol*s)'), n=3.90901, w0=(435,'kJ/mol'), E0=(29.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22423293432285069, var=2.21118629696215, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F + Total Standard Deviation in ln(k): 3.5444520521910476"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F +Total Standard Deviation in ln(k): 3.5444520521910476""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F +Total Standard Deviation in ln(k): 3.5444520521910476 +""", +) + +entry( + index = 6633, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R", + kinetics = ArrheniusBM(A=(2.17924e-10,'m^3/(mol*s)'), n=4.62429, w0=(435,'kJ/mol'), E0=(16.319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39723645629899185, var=3.204659117775145, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R + Total Standard Deviation in ln(k): 4.586870419182348"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R +Total Standard Deviation in ln(k): 4.586870419182348""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R +Total Standard Deviation in ln(k): 4.586870419182348 +""", +) + +entry( + index = 6634, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.64465e-10,'m^3/(mol*s)'), n=4.35717, w0=(435,'kJ/mol'), E0=(14.7538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_Ext-4BrCFNO-R_N-5R!H->C_N-5BrClFO->Br_N-5ClFO->F_Ext-6O-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6635, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(0.00420121,'m^3/(mol*s)'), n=2.76128, w0=(440.053,'kJ/mol'), E0=(41.1545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3200909528779846, var=0.8146274113465238, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C + Total Standard Deviation in ln(k): 2.6136565963091654"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 2.6136565963091654""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 2.6136565963091654 +""", +) + +entry( + index = 6636, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C", + kinetics = ArrheniusBM(A=(0.000162499,'m^3/(mol*s)'), n=2.92487, w0=(436.5,'kJ/mol'), E0=(25.3648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0986140508391219, var=0.9146788698918782, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C + Total Standard Deviation in ln(k): 2.165079473136226"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C +Total Standard Deviation in ln(k): 2.165079473136226""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C +Total Standard Deviation in ln(k): 2.165079473136226 +""", +) + +entry( + index = 6637, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.000187177,'m^3/(mol*s)'), n=2.9137, w0=(435,'kJ/mol'), E0=(25.276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04740016556737684, var=1.1164426377128887, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.2373360477936672"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.2373360477936672""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.2373360477936672 +""", +) + +entry( + index = 6638, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O", + kinetics = ArrheniusBM(A=(0.717719,'m^3/(mol*s)'), n=1.78861, w0=(435,'kJ/mol'), E0=(28.1001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12054356529409273, var=2.0823464511791148, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O + Total Standard Deviation in ln(k): 3.195773689144512"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O +Total Standard Deviation in ln(k): 3.195773689144512""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O +Total Standard Deviation in ln(k): 3.195773689144512 +""", +) + +entry( + index = 6639, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.000349631,'m^3/(mol*s)'), n=2.89104, w0=(435,'kJ/mol'), E0=(17.0807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04737523524754085, var=8.070998913946504e-29, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 0.11903325439082416"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.11903325439082416""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.11903325439082416 +""", +) + +entry( + index = 6640, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Sp-7O-1CNO", + kinetics = ArrheniusBM(A=(7.56933e-07,'m^3/(mol*s)'), n=3.62962, w0=(435,'kJ/mol'), E0=(19.2914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22866146892801406, var=0.05966768999440525, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Sp-7O-1CNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Sp-7O-1CNO + Total Standard Deviation in ln(k): 1.0642223547775649"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Sp-7O-1CNO +Total Standard Deviation in ln(k): 1.0642223547775649""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_Sp-7O-1CNO +Total Standard Deviation in ln(k): 1.0642223547775649 +""", +) + +entry( + index = 6641, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_N-Sp-7O-1CNO", + kinetics = ArrheniusBM(A=(2.67814e-08,'m^3/(mol*s)'), n=3.63491, w0=(435,'kJ/mol'), E0=(1.21972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00868949781014821, var=1.9777048305198487e-18, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_N-Sp-7O-1CNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_N-Sp-7O-1CNO + Total Standard Deviation in ln(k): 0.021832911890001003"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_N-Sp-7O-1CNO +Total Standard Deviation in ln(k): 0.021832911890001003""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_7R!H->O_N-Sp-7O-1CNO +Total Standard Deviation in ln(k): 0.021832911890001003 +""", +) + +entry( + index = 6642, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O", + kinetics = ArrheniusBM(A=(1.88564e-07,'m^3/(mol*s)'), n=3.88311, w0=(435,'kJ/mol'), E0=(24.7296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06776227725940949, var=0.57614408190564, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O + Total Standard Deviation in ln(k): 1.691934208136074"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O +Total Standard Deviation in ln(k): 1.691934208136074""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O +Total Standard Deviation in ln(k): 1.691934208136074 +""", +) + +entry( + index = 6643, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R", + kinetics = ArrheniusBM(A=(4.20386e-10,'m^3/(mol*s)'), n=4.62622, w0=(435,'kJ/mol'), E0=(9.86637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0005947516499217898, var=1.2582160825156161, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R + Total Standard Deviation in ln(k): 2.2502103272953726"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 2.2502103272953726""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 2.2502103272953726 +""", +) + +entry( + index = 6644, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_Sp-8R!H-5C", + kinetics = ArrheniusBM(A=(2.23396e-06,'m^3/(mol*s)'), n=3.5497, w0=(435,'kJ/mol'), E0=(24.1656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13287431372940203, var=1.6880617297370457e-28, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_Sp-8R!H-5C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_Sp-8R!H-5C + Total Standard Deviation in ln(k): 0.33385505962163914"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_Sp-8R!H-5C +Total Standard Deviation in ln(k): 0.33385505962163914""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_Sp-8R!H-5C +Total Standard Deviation in ln(k): 0.33385505962163914 +""", +) + +entry( + index = 6645, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_N-Sp-8R!H-5C", + kinetics = ArrheniusBM(A=(2.78033e-11,'m^3/(mol*s)'), n=4.97798, w0=(435,'kJ/mol'), E0=(17.3227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_N-Sp-8R!H-5C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_N-Sp-8R!H-5C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_N-Sp-8R!H-5C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_Ext-1CNO-R_N-7R!H->O_Ext-5C-R_N-Sp-8R!H-5C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6646, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C", + kinetics = ArrheniusBM(A=(0.00021943,'m^3/(mol*s)'), n=2.87136, w0=(435,'kJ/mol'), E0=(28.6695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20517204650401877, var=0.500978469550805, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C + Total Standard Deviation in ln(k): 1.9344557853411908"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C +Total Standard Deviation in ln(k): 1.9344557853411908""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C +Total Standard Deviation in ln(k): 1.9344557853411908 +""", +) + +entry( + index = 6647, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(3.0801e-06,'m^3/(mol*s)'), n=3.3245, w0=(435,'kJ/mol'), E0=(20.5074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3320801170243528, var=1.2341753438621006e-27, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.83437215332759"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.83437215332759""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_1CNO->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.83437215332759 +""", +) + +entry( + index = 6648, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_N-1CNO->C", + kinetics = ArrheniusBM(A=(2.5e+06,'m^3/(mol*s)'), n=2.59393e-08, w0=(459,'kJ/mol'), E0=(54.0735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_4BrCFNO->C_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6649, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_N-4BrCFNO->C", + kinetics = ArrheniusBM(A=(0.0365704,'m^3/(mol*s)'), n=2.51124, w0=(459,'kJ/mol'), E0=(44.27,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5220079817185355, var=5.520995403776156, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_N-4BrCFNO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_N-4BrCFNO->C + Total Standard Deviation in ln(k): 8.534626276204536"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 8.534626276204536""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_5R!H->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 8.534626276204536 +""", +) + +entry( + index = 6650, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.000808686,'m^3/(mol*s)'), n=2.75476, w0=(435,'kJ/mol'), E0=(36.8147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22259441869614946, var=3.895333421102907, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 4.515947701688498"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 4.515947701688498""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 4.515947701688498 +""", +) + +entry( + index = 6651, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O", + kinetics = ArrheniusBM(A=(8.5924e-06,'m^3/(mol*s)'), n=3.3271, w0=(435,'kJ/mol'), E0=(37.6476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1493569734526864, var=3.46566415153202, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O + Total Standard Deviation in ln(k): 4.10734260604368"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O +Total Standard Deviation in ln(k): 4.10734260604368""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O +Total Standard Deviation in ln(k): 4.10734260604368 +""", +) + +entry( + index = 6652, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R", + kinetics = ArrheniusBM(A=(8.62079e-11,'m^3/(mol*s)'), n=4.97949, w0=(435,'kJ/mol'), E0=(15.6417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5921667471822317, var=4.549876312003534, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R + Total Standard Deviation in ln(k): 5.764044092006033"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R +Total Standard Deviation in ln(k): 5.764044092006033""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R +Total Standard Deviation in ln(k): 5.764044092006033 +""", +) + +entry( + index = 6653, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.65385e-11,'m^3/(mol*s)'), n=4.91574, w0=(435,'kJ/mol'), E0=(23.6417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6654, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.18268e-07,'m^3/(mol*s)'), n=3.70137, w0=(435,'kJ/mol'), E0=(34.4512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15161932966225244, var=6.4813625633682275, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 5.484711957855383"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 5.484711957855383""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 5.484711957855383 +""", +) + +entry( + index = 6655, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(3.80195e-10,'m^3/(mol*s)'), n=4.54894, w0=(435,'kJ/mol'), E0=(19.741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6656, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_5ClF->F", + kinetics = ArrheniusBM(A=(5.79229e-10,'m^3/(mol*s)'), n=4.34604, w0=(435,'kJ/mol'), E0=(19.2259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_5ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_5ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_5ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_5ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6657, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_N-5ClF->F", + kinetics = ArrheniusBM(A=(8.65468e-11,'m^3/(mol*s)'), n=4.66002, w0=(435,'kJ/mol'), E0=(21.6822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_N-5ClF->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_N-5ClF->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_N-5ClF->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_N-5BrClFO->O_N-5ClF->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6658, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C", + kinetics = ArrheniusBM(A=(0.944118,'m^3/(mol*s)'), n=1.86746, w0=(435,'kJ/mol'), E0=(30.0246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.153826917723377, var=10.965105064737054, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C + Total Standard Deviation in ln(k): 12.050024971877432"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C +Total Standard Deviation in ln(k): 12.050024971877432""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C +Total Standard Deviation in ln(k): 12.050024971877432 +""", +) + +entry( + index = 6659, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(4.74906e-05,'m^3/(mol*s)'), n=3.01597, w0=(435,'kJ/mol'), E0=(30.0288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_4BrCFNO->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6660, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_Ext-6O-R_Ext-7R!H-R_Ext-6O-R_Ext-8R!H-R_Ext-6O-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.3083e-11,'m^3/(mol*s)'), n=4.78155, w0=(435,'kJ/mol'), E0=(-67.6548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_Ext-6O-R_Ext-7R!H-R_Ext-6O-R_Ext-8R!H-R_Ext-6O-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_Ext-6O-R_Ext-7R!H-R_Ext-6O-R_Ext-8R!H-R_Ext-6O-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_Ext-6O-R_Ext-7R!H-R_Ext-6O-R_Ext-8R!H-R_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-6R!H->C_N-5R!H->C_Ext-6O-R_Ext-7R!H-R_Ext-6O-R_Ext-8R!H-R_Ext-6O-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6661, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.87959e-13,'m^3/(mol*s)'), n=5.61112, w0=(435,'kJ/mol'), E0=(18.7978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03249949597049031, var=0.4573819765256139, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C + Total Standard Deviation in ln(k): 1.4374597825625568"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 1.4374597825625568""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 1.4374597825625568 +""", +) + +entry( + index = 6662, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(5.82469e-12,'m^3/(mol*s)'), n=5.17755, w0=(435,'kJ/mol'), E0=(20.6351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.031633125696002344, var=1.3739442719742698, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl + Total Standard Deviation in ln(k): 2.429337832895981"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 2.429337832895981""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 2.429337832895981 +""", +) + +entry( + index = 6663, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(2.10291e-17,'m^3/(mol*s)'), n=6.81534, w0=(435,'kJ/mol'), E0=(2.4088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.60564597178371, var=7.499662818747962, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 9.524356065752341"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 9.524356065752341""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 9.524356065752341 +""", +) + +entry( + index = 6664, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.14746e-14,'m^3/(mol*s)'), n=5.9937, w0=(435,'kJ/mol'), E0=(18.2964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_5BrClFINOPSSi->Cl_Ext-4BrCFNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6665, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(8.95509e-15,'m^3/(mol*s)'), n=5.99648, w0=(435,'kJ/mol'), E0=(17.4611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03622102890872471, var=0.02584671924799074, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl + Total Standard Deviation in ln(k): 0.4133071625481607"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 0.4133071625481607""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl +Total Standard Deviation in ln(k): 0.4133071625481607 +""", +) + +entry( + index = 6666, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_5BrF->Br", + kinetics = ArrheniusBM(A=(1.38286e-14,'m^3/(mol*s)'), n=5.94133, w0=(435,'kJ/mol'), E0=(17.8285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_5BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_5BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6667, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5BrF->Br", + kinetics = ArrheniusBM(A=(5.13812e-15,'m^3/(mol*s)'), n=6.06668, w0=(435,'kJ/mol'), E0=(16.9704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_N-5R!H->C_N-5BrClFINOPSSi->Cl_N-5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6668, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(5.83e-07,'m^3/(mol*s)'), n=3.74, w0=(435,'kJ/mol'), E0=(28.5524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006777719207387811, var=2.3369176444885775e-29, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 0.017029445244702682"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.017029445244702682""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.017029445244702682 +""", +) + +entry( + index = 6669, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(7.51996e-14,'m^3/(mol*s)'), n=5.77, w0=(435,'kJ/mol'), E0=(40.9329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1278196306546868, var=13.675614966580216, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 10.247339375557852"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 10.247339375557852""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 10.247339375557852 +""", +) + +entry( + index = 6670, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(1.20828e+09,'m^3/(mol*s)'), n=-0.580389, w0=(437.824,'kJ/mol'), E0=(51.6432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9309872445697941, var=3.0278571247036137, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 5.827551085276946"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 5.827551085276946""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 5.827551085276946 +""", +) + +entry( + index = 6671, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F", + kinetics = ArrheniusBM(A=(0.00240888,'m^3/(mol*s)'), n=3.17161, w0=(435,'kJ/mol'), E0=(34.4889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020981608021738856, var=2.93004614615565, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F + Total Standard Deviation in ln(k): 3.4842983313396783"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F +Total Standard Deviation in ln(k): 3.4842983313396783""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F +Total Standard Deviation in ln(k): 3.4842983313396783 +""", +) + +entry( + index = 6672, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.096732,'m^3/(mol*s)'), n=2.72661, w0=(435,'kJ/mol'), E0=(69.2336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03440423231925612, var=3.5843418160476035, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 3.8818790242707304"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 3.8818790242707304""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 3.8818790242707304 +""", +) + +entry( + index = 6673, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_7R!H->Br", + kinetics = ArrheniusBM(A=(0.00633998,'m^3/(mol*s)'), n=3.21779, w0=(435,'kJ/mol'), E0=(48.0352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_7R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_7R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_7R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6674, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br", + kinetics = ArrheniusBM(A=(0.770623,'m^3/(mol*s)'), n=2.43503, w0=(435,'kJ/mol'), E0=(74.2711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.130506597002603, var=3.419073913549971, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br + Total Standard Deviation in ln(k): 4.03480912784099"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br +Total Standard Deviation in ln(k): 4.03480912784099""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br +Total Standard Deviation in ln(k): 4.03480912784099 +""", +) + +entry( + index = 6675, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.334845,'m^3/(mol*s)'), n=2.54385, w0=(435,'kJ/mol'), E0=(77.1875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11426712343735236, var=4.643145569643493, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 4.606898343139127"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 4.606898343139127""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 4.606898343139127 +""", +) + +entry( + index = 6676, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_7CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(0.000473139,'m^3/(mol*s)'), n=3.55522, w0=(435,'kJ/mol'), E0=(58.0227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_7CClFINOPSSi->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_7CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6677, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl", + kinetics = ArrheniusBM(A=(21.5448,'m^3/(mol*s)'), n=1.96409, w0=(435,'kJ/mol'), E0=(85.5598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2820631672968625, var=4.177307968759154, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl + Total Standard Deviation in ln(k): 4.806071928558537"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 4.806071928558537""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl +Total Standard Deviation in ln(k): 4.806071928558537 +""", +) + +entry( + index = 6678, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(6.82444,'m^3/(mol*s)'), n=2.11251, w0=(435,'kJ/mol'), E0=(84.7334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.257592046173232, var=4.278013869597989, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R + Total Standard Deviation in ln(k): 4.7936819568699365"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.7936819568699365""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.7936819568699365 +""", +) + +entry( + index = 6679, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C", + kinetics = ArrheniusBM(A=(270086,'m^3/(mol*s)'), n=0.799802, w0=(435,'kJ/mol'), E0=(111.658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.364295238363228, var=58.2193840348043, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C + Total Standard Deviation in ln(k): 28.774583708995305"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C +Total Standard Deviation in ln(k): 28.774583708995305""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C +Total Standard Deviation in ln(k): 28.774583708995305 +""", +) + +entry( + index = 6680, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_Sp-9C-1CNO", + kinetics = ArrheniusBM(A=(0.000123889,'m^3/(mol*s)'), n=3.51617, w0=(435,'kJ/mol'), E0=(85.1037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_Sp-9C-1CNO',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_Sp-9C-1CNO + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_Sp-9C-1CNO +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_Sp-9C-1CNO +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6681, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_N-Sp-9C-1CNO", + kinetics = ArrheniusBM(A=(1.00127e+21,'m^3/(mol*s)'), n=-4.16034, w0=(435,'kJ/mol'), E0=(46.4173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_N-Sp-9C-1CNO',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_N-Sp-9C-1CNO + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_N-Sp-9C-1CNO +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_9R!H->C_N-Sp-9C-1CNO +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6682, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C", + kinetics = ArrheniusBM(A=(0.381461,'m^3/(mol*s)'), n=2.46895, w0=(435,'kJ/mol'), E0=(72.8502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021919179440490315, var=5.3570270342548865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C + Total Standard Deviation in ln(k): 4.695083228651"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C +Total Standard Deviation in ln(k): 4.695083228651""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C +Total Standard Deviation in ln(k): 4.695083228651 +""", +) + +entry( + index = 6683, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.00346519,'m^3/(mol*s)'), n=3.18195, w0=(435,'kJ/mol'), E0=(63.4536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-4BrCFNO-R_N-7CClFINOPSSi->Cl_Ext-1CNO-R_N-9R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6684, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.713779,'m^3/(mol*s)'), n=2.45418, w0=(435,'kJ/mol'), E0=(51.7085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.612165161899513, var=0.46823593027844246, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.9098988704896076"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.9098988704896076""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.9098988704896076 +""", +) + +entry( + index = 6685, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.164561,'m^3/(mol*s)'), n=2.66269, w0=(435,'kJ/mol'), E0=(51.8082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-4BrCFNO-R_N-7R!H->Br_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6686, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.186061,'m^3/(mol*s)'), n=2.58347, w0=(435,'kJ/mol'), E0=(42.386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5236468120818392, var=0.5890470435482058, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.8543176558198815"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.8543176558198815""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.8543176558198815 +""", +) + +entry( + index = 6687, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.85555e+07,'m^3/(mol*s)'), n=-0.129299, w0=(435,'kJ/mol'), E0=(55.973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_5R!H->F_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6688, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F", + kinetics = ArrheniusBM(A=(6.71098e+09,'m^3/(mol*s)'), n=-0.819794, w0=(447,'kJ/mol'), E0=(37.8086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5342841729796387, var=1.1013960986801643, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F + Total Standard Deviation in ln(k): 3.4463402888502417"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F +Total Standard Deviation in ln(k): 3.4463402888502417""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F +Total Standard Deviation in ln(k): 3.4463402888502417 +""", +) + +entry( + index = 6689, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C", + kinetics = ArrheniusBM(A=(1.19819e+24,'m^3/(mol*s)'), n=-4.95231, w0=(435,'kJ/mol'), E0=(-11.5706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4952882856363537, var=4.741732206489329, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C + Total Standard Deviation in ln(k): 5.609857572964308"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C +Total Standard Deviation in ln(k): 5.609857572964308""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C +Total Standard Deviation in ln(k): 5.609857572964308 +""", +) + +entry( + index = 6690, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(2.90678e+27,'m^3/(mol*s)'), n=-5.95565, w0=(435,'kJ/mol'), E0=(-33.0111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_1CNO->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6691, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C", + kinetics = ArrheniusBM(A=(1.49656e+09,'m^3/(mol*s)'), n=-0.610346, w0=(459,'kJ/mol'), E0=(51.6432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2326593364554528, var=4.004524470744191, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C + Total Standard Deviation in ln(k): 7.108871116418993"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C +Total Standard Deviation in ln(k): 7.108871116418993""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C +Total Standard Deviation in ln(k): 7.108871116418993 +""", +) + +entry( + index = 6692, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C_Ext-5BrCClO-R_Ext-5BrCClO-R", + kinetics = ArrheniusBM(A=(6.60737e+09,'m^3/(mol*s)'), n=-0.816717, w0=(459,'kJ/mol'), E0=(36.1116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C_Ext-5BrCClO-R_Ext-5BrCClO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C_Ext-5BrCClO-R_Ext-5BrCClO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C_Ext-5BrCClO-R_Ext-5BrCClO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-3O-R_N-6R!H-u0_N-5R!H->F_N-1CNO->C_Ext-5BrCClO-R_Ext-5BrCClO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6693, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.0557959,'m^3/(mol*s)'), n=2.40054, w0=(435,'kJ/mol'), E0=(16.1869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06480399243415455, var=1.4673610410353952, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.591253498582178"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.591253498582178""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.591253498582178 +""", +) + +entry( + index = 6694, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O", + kinetics = ArrheniusBM(A=(103.066,'m^3/(mol*s)'), n=1.14654, w0=(435,'kJ/mol'), E0=(22.9771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.629723410326412, var=27.79196162203168, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O + Total Standard Deviation in ln(k): 14.663361243474158"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O +Total Standard Deviation in ln(k): 14.663361243474158""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O +Total Standard Deviation in ln(k): 14.663361243474158 +""", +) + +entry( + index = 6695, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(9.77195e+12,'m^3/(mol*s)'), n=-2.00721, w0=(435,'kJ/mol'), E0=(66.3083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.8199953006318086, var=26.716084822081505, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 14.9348479400199"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 14.9348479400199""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 14.9348479400199 +""", +) + +entry( + index = 6696, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-6O-R", + kinetics = ArrheniusBM(A=(185175,'m^3/(mol*s)'), n=-1.70076e-08, w0=(435,'kJ/mol'), E0=(36.7609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-6O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-6O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-6O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-6O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6697, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.0222481,'m^3/(mol*s)'), n=2.55767, w0=(435,'kJ/mol'), E0=(17.5491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06827199020379912, var=0.9456914313997618, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O + Total Standard Deviation in ln(k): 2.121075716132682"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.121075716132682""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.121075716132682 +""", +) + +entry( + index = 6698, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.0526053,'m^3/(mol*s)'), n=2.53282, w0=(435,'kJ/mol'), E0=(3.36879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.042507703853441124, var=0.8579004436607537, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 1.9636473485145236"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.9636473485145236""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.9636473485145236 +""", +) + +entry( + index = 6699, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(5.32569,'m^3/(mol*s)'), n=1.98981, w0=(435,'kJ/mol'), E0=(32.9612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07163386308586245, var=0.4619430759915704, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 1.542530728841199"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.542530728841199""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.542530728841199 +""", +) + +entry( + index = 6700, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F", + kinetics = ArrheniusBM(A=(0.000730917,'m^3/(mol*s)'), n=3.18084, w0=(435,'kJ/mol'), E0=(25.4777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05440051126057295, var=0.3449445761860559, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F + Total Standard Deviation in ln(k): 1.3141053553735025"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F +Total Standard Deviation in ln(k): 1.3141053553735025""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F +Total Standard Deviation in ln(k): 1.3141053553735025 +""", +) + +entry( + index = 6701, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_8R!H->Cl", + kinetics = ArrheniusBM(A=(0.00137177,'m^3/(mol*s)'), n=3.14374, w0=(435,'kJ/mol'), E0=(17.0122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_8R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_8R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_8R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6702, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl", + kinetics = ArrheniusBM(A=(0.00170429,'m^3/(mol*s)'), n=3.06519, w0=(435,'kJ/mol'), E0=(28.8917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0315938322169451, var=0.11289650404151211, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl + Total Standard Deviation in ln(k): 0.7529739776601734"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl +Total Standard Deviation in ln(k): 0.7529739776601734""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl +Total Standard Deviation in ln(k): 0.7529739776601734 +""", +) + +entry( + index = 6703, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_8BrFO->O", + kinetics = ArrheniusBM(A=(0.000975721,'m^3/(mol*s)'), n=3.13265, w0=(435,'kJ/mol'), E0=(24.4559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_8BrFO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_8BrFO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_8BrFO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_8BrFO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6704, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O", + kinetics = ArrheniusBM(A=(0.000894113,'m^3/(mol*s)'), n=3.14611, w0=(435,'kJ/mol'), E0=(27.8991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03863895376848709, var=0.16320245145150342, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O + Total Standard Deviation in ln(k): 0.9069621535739479"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O +Total Standard Deviation in ln(k): 0.9069621535739479""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O +Total Standard Deviation in ln(k): 0.9069621535739479 +""", +) + +entry( + index = 6705, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(2.50793e-05,'m^3/(mol*s)'), n=3.61222, w0=(435,'kJ/mol'), E0=(15.7501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010274158561758335, var=0.02172428350236001, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 0.32129557769344563"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 0.32129557769344563""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 0.32129557769344563 +""", +) + +entry( + index = 6706, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_8BrF->Br", + kinetics = ArrheniusBM(A=(0.000155485,'m^3/(mol*s)'), n=3.38049, w0=(435,'kJ/mol'), E0=(25.2169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_8BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_8BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6707, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_N-8BrF->Br", + kinetics = ArrheniusBM(A=(0.000108079,'m^3/(mol*s)'), n=3.43515, w0=(435,'kJ/mol'), E0=(23.0807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_N-8BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_N-8BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_N-8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_5R!H->F_N-8R!H->Cl_N-8BrFO->O_Ext-4BrCFNO-R_N-8BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6708, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_1CNO-inRing", + kinetics = ArrheniusBM(A=(2185.76,'m^3/(mol*s)'), n=1.06604, w0=(435,'kJ/mol'), E0=(12.8271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6709, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_N-1CNO-inRing", + kinetics = ArrheniusBM(A=(34843.3,'m^3/(mol*s)'), n=0.737336, w0=(435,'kJ/mol'), E0=(13.4212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_N-1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_N-1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_Ext-4BrCFNO-R_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6710, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_5R!H->F", + kinetics = ArrheniusBM(A=(0.000443453,'m^3/(mol*s)'), n=3.0466, w0=(435,'kJ/mol'), E0=(18.0194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6711, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(0.0874769,'m^3/(mol*s)'), n=2.35379, w0=(435,'kJ/mol'), E0=(10.0219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7544773042039163, var=9.559295803868022, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F + Total Standard Deviation in ln(k): 10.606496573459077"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F +Total Standard Deviation in ln(k): 10.606496573459077""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F +Total Standard Deviation in ln(k): 10.606496573459077 +""", +) + +entry( + index = 6712, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_1CNO-inRing", + kinetics = ArrheniusBM(A=(13.8858,'m^3/(mol*s)'), n=1.89335, w0=(435,'kJ/mol'), E0=(7.68078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6713, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_N-1CNO-inRing", + kinetics = ArrheniusBM(A=(0.0637311,'m^3/(mol*s)'), n=2.38257, w0=(435,'kJ/mol'), E0=(21.5894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_N-1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_N-1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_Ext-1CNO-R_N-5R!H->F_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6714, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C", + kinetics = ArrheniusBM(A=(3.90183,'m^3/(mol*s)'), n=1.81561, w0=(435,'kJ/mol'), E0=(3.86503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07807215108928525, var=0.8718412424482077, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C + Total Standard Deviation in ln(k): 2.0680312272988877"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C +Total Standard Deviation in ln(k): 2.0680312272988877""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C +Total Standard Deviation in ln(k): 2.0680312272988877 +""", +) + +entry( + index = 6715, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(18.0479,'m^3/(mol*s)'), n=1.66806, w0=(435,'kJ/mol'), E0=(13.4273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38747493328577476, var=0.2382588592952927, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 1.9521017227360375"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.9521017227360375""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.9521017227360375 +""", +) + +entry( + index = 6716, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_N-1CNO-inRing", + kinetics = ArrheniusBM(A=(17.7414,'m^3/(mol*s)'), n=1.66669, w0=(435,'kJ/mol'), E0=(15.1964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_N-1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_N-1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6717, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Int-8R!H-6CF_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(98.2537,'m^3/(mol*s)'), n=1.50403, w0=(435,'kJ/mol'), E0=(6.84398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Int-8R!H-6CF_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Int-8R!H-6CF_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Int-8R!H-6CF_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Int-8R!H-6CF_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6718, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(35.9112,'m^3/(mol*s)'), n=1.60136, w0=(435,'kJ/mol'), E0=(14.553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-4BrCFNO-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6719, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R", + kinetics = ArrheniusBM(A=(11.9245,'m^3/(mol*s)'), n=1.56894, w0=(435,'kJ/mol'), E0=(18.1083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9165770217197, var=9.703704577712235, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R + Total Standard Deviation in ln(k): 11.060424241283005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R +Total Standard Deviation in ln(k): 11.060424241283005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R +Total Standard Deviation in ln(k): 11.060424241283005 +""", +) + +entry( + index = 6720, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_1CNO-inRing", + kinetics = ArrheniusBM(A=(53.3047,'m^3/(mol*s)'), n=1.65002, w0=(435,'kJ/mol'), E0=(17.1157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6721, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_N-1CNO-inRing", + kinetics = ArrheniusBM(A=(10.5524,'m^3/(mol*s)'), n=1.56232, w0=(435,'kJ/mol'), E0=(19.1009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_N-1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_N-1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-6CF-R_N-1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6722, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.781669,'m^3/(mol*s)'), n=2.06814, w0=(435,'kJ/mol'), E0=(1.31372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.834732726554679, var=49.08944808020944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 28.706080730745235"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 28.706080730745235""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 28.706080730745235 +""", +) + +entry( + index = 6723, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_7R!H->C", + kinetics = ArrheniusBM(A=(4.90156e+19,'m^3/(mol*s)'), n=-3.68524, w0=(435,'kJ/mol'), E0=(4.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6724, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_N-7R!H->C", + kinetics = ArrheniusBM(A=(0.182697,'m^3/(mol*s)'), n=2.2516, w0=(435,'kJ/mol'), E0=(10.9851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_5R!H->C_Ext-5C-R_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6725, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C", + kinetics = ArrheniusBM(A=(6.26113e-05,'m^3/(mol*s)'), n=3.28026, w0=(435,'kJ/mol'), E0=(12.433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05398393554557543, var=0.22693378022995186, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C + Total Standard Deviation in ln(k): 1.0906450473305638"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C +Total Standard Deviation in ln(k): 1.0906450473305638""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C +Total Standard Deviation in ln(k): 1.0906450473305638 +""", +) + +entry( + index = 6726, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C", + kinetics = ArrheniusBM(A=(5.09287e-05,'m^3/(mol*s)'), n=3.33839, w0=(435,'kJ/mol'), E0=(14.229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12448021330309651, var=0.16952053585373658, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C + Total Standard Deviation in ln(k): 1.1381713550373878"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C +Total Standard Deviation in ln(k): 1.1381713550373878""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C +Total Standard Deviation in ln(k): 1.1381713550373878 +""", +) + +entry( + index = 6727, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO", + kinetics = ArrheniusBM(A=(0.00160154,'m^3/(mol*s)'), n=2.84162, w0=(435,'kJ/mol'), E0=(16.0514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09578781402798206, var=0.030855412608017364, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO + Total Standard Deviation in ln(k): 0.5928188257218319"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO +Total Standard Deviation in ln(k): 0.5928188257218319""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO +Total Standard Deviation in ln(k): 0.5928188257218319 +""", +) + +entry( + index = 6728, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.000976314,'m^3/(mol*s)'), n=2.92448, w0=(435,'kJ/mol'), E0=(17.3009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_Sp-6C-1CNO_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6729, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO", + kinetics = ArrheniusBM(A=(4.97775e-05,'m^3/(mol*s)'), n=3.46172, w0=(435,'kJ/mol'), E0=(21.5582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08047136262319717, var=0.43451825316729537, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO + Total Standard Deviation in ln(k): 1.5236705923954925"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO +Total Standard Deviation in ln(k): 1.5236705923954925""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO +Total Standard Deviation in ln(k): 1.5236705923954925 +""", +) + +entry( + index = 6730, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.63909e-07,'m^3/(mol*s)'), n=4.11505, w0=(435,'kJ/mol'), E0=(17.3186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO_Ext-6C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO_Ext-6C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_6CF->C_N-Sp-6C-1CNO_Ext-6C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6731, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C", + kinetics = ArrheniusBM(A=(0.000165301,'m^3/(mol*s)'), n=3.1144, w0=(435,'kJ/mol'), E0=(18.4109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014503969757480556, var=0.22979033994698791, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C + Total Standard Deviation in ln(k): 0.9974409967144646"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C +Total Standard Deviation in ln(k): 0.9974409967144646""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C +Total Standard Deviation in ln(k): 0.9974409967144646 +""", +) + +entry( + index = 6732, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(2.13615e-05,'m^3/(mol*s)'), n=3.42451, w0=(435,'kJ/mol'), E0=(15.7928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029455765121833122, var=1.4467407951296851, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 2.4853156074804272"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 2.4853156074804272""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 2.4853156074804272 +""", +) + +entry( + index = 6733, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(4.09646e-05,'m^3/(mol*s)'), n=3.42463, w0=(435,'kJ/mol'), E0=(25.0742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_Ext-4BrCFNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6734, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_4BrCFNO->C", + kinetics = ArrheniusBM(A=(0.00422517,'m^3/(mol*s)'), n=2.63357, w0=(435,'kJ/mol'), E0=(17.3485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6735, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_N-4BrCFNO->C", + kinetics = ArrheniusBM(A=(0.00038725,'m^3/(mol*s)'), n=2.975, w0=(435,'kJ/mol'), E0=(17.069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_N-4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_N-4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_Ext-1CNO-R_N-6R!H->O_N-5R!H->C_N-6CF->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6736, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C", + kinetics = ArrheniusBM(A=(200728,'m^3/(mol*s)'), n=0.0508164, w0=(435,'kJ/mol'), E0=(12.7626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3832847162921297, var=0.4875870109235565, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C + Total Standard Deviation in ln(k): 2.36288192670349"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C +Total Standard Deviation in ln(k): 2.36288192670349""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C +Total Standard Deviation in ln(k): 2.36288192670349 +""", +) + +entry( + index = 6737, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl", + kinetics = ArrheniusBM(A=(0.0106986,'m^3/(mol*s)'), n=2.59021, w0=(435,'kJ/mol'), E0=(13.2665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.049481246322086656, var=2.2833119853223782, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl + Total Standard Deviation in ln(k): 3.1536061346843156"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl +Total Standard Deviation in ln(k): 3.1536061346843156""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl +Total Standard Deviation in ln(k): 3.1536061346843156 +""", +) + +entry( + index = 6738, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.0117987,'m^3/(mol*s)'), n=2.58913, w0=(435,'kJ/mol'), E0=(13.0345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04993314756508459, var=4.219526753381118, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 4.243484060213322"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 4.243484060213322""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 4.243484060213322 +""", +) + +entry( + index = 6739, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.012334,'m^3/(mol*s)'), n=2.78915, w0=(435,'kJ/mol'), E0=(13.1837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6740, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.0160636,'m^3/(mol*s)'), n=2.35804, w0=(435,'kJ/mol'), E0=(12.806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6741, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.00828995,'m^3/(mol*s)'), n=2.62021, w0=(435,'kJ/mol'), E0=(13.1138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_5R!H->Cl_Ext-4BrCFNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6742, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(69566.2,'m^3/(mol*s)'), n=0.178368, w0=(435,'kJ/mol'), E0=(-1.30297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.38994538835683606, var=0.37333657252094654, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl + Total Standard Deviation in ln(k): 2.2046809616073246"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.2046809616073246""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.2046809616073246 +""", +) + +entry( + index = 6743, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R", + kinetics = ArrheniusBM(A=(0.0390751,'m^3/(mol*s)'), n=2.3838, w0=(435,'kJ/mol'), E0=(13.3421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08989530329138992, var=0.13867127112124863, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R + Total Standard Deviation in ln(k): 0.9724027061890453"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R +Total Standard Deviation in ln(k): 0.9724027061890453""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R +Total Standard Deviation in ln(k): 0.9724027061890453 +""", +) + +entry( + index = 6744, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R", + kinetics = ArrheniusBM(A=(0.0759469,'m^3/(mol*s)'), n=2.30475, w0=(435,'kJ/mol'), E0=(10.6603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10536089002466519, var=0.10506584551463838, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R + Total Standard Deviation in ln(k): 0.9145379174526774"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R +Total Standard Deviation in ln(k): 0.9145379174526774""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R +Total Standard Deviation in ln(k): 0.9145379174526774 +""", +) + +entry( + index = 6745, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O", + kinetics = ArrheniusBM(A=(0.0917017,'m^3/(mol*s)'), n=2.26274, w0=(435,'kJ/mol'), E0=(5.44618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13382039581580268, var=0.024053087420219863, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O + Total Standard Deviation in ln(k): 0.6471476724125678"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O +Total Standard Deviation in ln(k): 0.6471476724125678""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O +Total Standard Deviation in ln(k): 0.6471476724125678 +""", +) + +entry( + index = 6746, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.224344,'m^3/(mol*s)'), n=2.1253, w0=(435,'kJ/mol'), E0=(4.68821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_6R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6747, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.0520925,'m^3/(mol*s)'), n=2.38877, w0=(435,'kJ/mol'), E0=(21.0884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_N-6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_N-6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_N-6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_Ext-5CFNO-R_Ext-5CFNO-R_N-6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6748, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C", + kinetics = ArrheniusBM(A=(0.000537772,'m^3/(mol*s)'), n=2.89454, w0=(435,'kJ/mol'), E0=(22.2291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11817146358049169, var=0.21235746989155727, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C + Total Standard Deviation in ln(k): 1.2207404584080201"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C +Total Standard Deviation in ln(k): 1.2207404584080201""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C +Total Standard Deviation in ln(k): 1.2207404584080201 +""", +) + +entry( + index = 6749, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.000131357,'m^3/(mol*s)'), n=3.07328, w0=(435,'kJ/mol'), E0=(26.0747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6750, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.00110387,'m^3/(mol*s)'), n=2.80335, w0=(435,'kJ/mol'), E0=(18.3835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_5CFNO->C_Ext-4BrCFNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6751, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C", + kinetics = ArrheniusBM(A=(419458,'m^3/(mol*s)'), n=-0.0592771, w0=(435,'kJ/mol'), E0=(7.85807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3174871931199205, var=0.2589369867592336, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C + Total Standard Deviation in ln(k): 1.8178330268164453"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C +Total Standard Deviation in ln(k): 1.8178330268164453""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C +Total Standard Deviation in ln(k): 1.8178330268164453 +""", +) + +entry( + index = 6752, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C", + kinetics = ArrheniusBM(A=(0.00109017,'m^3/(mol*s)'), n=2.84769, w0=(435,'kJ/mol'), E0=(11.1332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008016308247882582, var=0.22573704575315498, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C + Total Standard Deviation in ln(k): 0.972627054689467"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C +Total Standard Deviation in ln(k): 0.972627054689467""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C +Total Standard Deviation in ln(k): 0.972627054689467 +""", +) + +entry( + index = 6753, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_5FNO->O", + kinetics = ArrheniusBM(A=(0.158974,'m^3/(mol*s)'), n=2.1814, w0=(435,'kJ/mol'), E0=(12.7277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_5FNO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_5FNO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_5FNO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_5FNO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6754, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O", + kinetics = ArrheniusBM(A=(0.000155982,'m^3/(mol*s)'), n=3.1077, w0=(435,'kJ/mol'), E0=(8.07518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04208427863118632, var=0.25100638851797175, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O + Total Standard Deviation in ln(k): 1.1101224482513092"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O +Total Standard Deviation in ln(k): 1.1101224482513092""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O +Total Standard Deviation in ln(k): 1.1101224482513092 +""", +) + +entry( + index = 6755, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_5FN->N", + kinetics = ArrheniusBM(A=(0.0154584,'m^3/(mol*s)'), n=2.46388, w0=(435,'kJ/mol'), E0=(14.0253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_5FN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_5FN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_5FN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_5FN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6756, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N", + kinetics = ArrheniusBM(A=(8.23333e-06,'m^3/(mol*s)'), n=3.51975, w0=(435,'kJ/mol'), E0=(10.8947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016844591232973213, var=0.38900813163490994, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N + Total Standard Deviation in ln(k): 1.2926867138285205"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N +Total Standard Deviation in ln(k): 1.2926867138285205""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N +Total Standard Deviation in ln(k): 1.2926867138285205 +""", +) + +entry( + index = 6757, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.28666e-06,'m^3/(mol*s)'), n=3.70555, w0=(435,'kJ/mol'), E0=(8.73831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026821977492475984, var=0.7182669607097133, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R + Total Standard Deviation in ln(k): 1.766417549218258"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R +Total Standard Deviation in ln(k): 1.766417549218258""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R +Total Standard Deviation in ln(k): 1.766417549218258 +""", +) + +entry( + index = 6758, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(8.5213e-06,'m^3/(mol*s)'), n=3.68129, w0=(435,'kJ/mol'), E0=(24.4671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6759, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_6R!H->O", + kinetics = ArrheniusBM(A=(2.04711e-05,'m^3/(mol*s)'), n=3.3469, w0=(435,'kJ/mol'), E0=(20.2225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6760, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(1.38787e-05,'m^3/(mol*s)'), n=3.42765, w0=(435,'kJ/mol'), E0=(21.1918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_N-6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_N-6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_4BrCFNO->C_N-5FNO->O_N-5FN->N_Ext-4C-R_N-6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6761, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_N-4BrCFNO->C", + kinetics = ArrheniusBM(A=(658311,'m^3/(mol*s)'), n=-0.125556, w0=(435,'kJ/mol'), E0=(19.997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_N-4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_N-4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_1CNO->C_N-5R!H->Cl_N-5CFNO->C_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6762, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C", + kinetics = ArrheniusBM(A=(4.04925e+06,'m^3/(mol*s)'), n=-0.154924, w0=(446.833,'kJ/mol'), E0=(17.2912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26387498228201967, var=0.4270642435825209, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C + Total Standard Deviation in ln(k): 1.97309989896484"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C +Total Standard Deviation in ln(k): 1.97309989896484""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C +Total Standard Deviation in ln(k): 1.97309989896484 +""", +) + +entry( + index = 6763, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_4BrCFNO->N", + kinetics = ArrheniusBM(A=(0.00592184,'m^3/(mol*s)'), n=2.68875, w0=(459,'kJ/mol'), E0=(10.7382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_4BrCFNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_4BrCFNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_4BrCFNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_4BrCFNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6764, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N", + kinetics = ArrheniusBM(A=(5.80017e+06,'m^3/(mol*s)'), n=-0.205157, w0=(440.75,'kJ/mol'), E0=(20.5677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8469490808141643, var=2.1910601430743046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N + Total Standard Deviation in ln(k): 5.0954677453673956"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N +Total Standard Deviation in ln(k): 5.0954677453673956""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N +Total Standard Deviation in ln(k): 5.0954677453673956 +""", +) + +entry( + index = 6765, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_1NO->N", + kinetics = ArrheniusBM(A=(4036.19,'m^3/(mol*s)'), n=0.968178, w0=(422.5,'kJ/mol'), E0=(8.78992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_1NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_1NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_1NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_1NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6766, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_N-1NO->N", + kinetics = ArrheniusBM(A=(6.07643e+06,'m^3/(mol*s)'), n=-0.212667, w0=(459,'kJ/mol'), E0=(32.3455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_N-1NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_N-1NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_3BrHINO->O_N-1CNO->C_N-4BrCFNO->N_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6767, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O", + kinetics = ArrheniusBM(A=(5.61761e-08,'m^3/(mol*s)'), n=3.80935, w0=(414.929,'kJ/mol'), E0=(0.0735209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28295698077099085, var=1.9798641597073, Tref=1000.0, N=49, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O',), comment="""BM rule fitted to 49 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O + Total Standard Deviation in ln(k): 3.5317627205425253"""), + rank = 11, + shortDesc = """BM rule fitted to 49 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O +Total Standard Deviation in ln(k): 3.5317627205425253""", + longDesc = +""" +BM rule fitted to 49 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O +Total Standard Deviation in ln(k): 3.5317627205425253 +""", +) + +entry( + index = 6768, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H", + kinetics = ArrheniusBM(A=(5.54881e-08,'m^3/(mol*s)'), n=3.80747, w0=(423.956,'kJ/mol'), E0=(0.0647438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28116070729168785, var=1.8705052425823316, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H + Total Standard Deviation in ln(k): 3.4482382447955313"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H +Total Standard Deviation in ln(k): 3.4482382447955313""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H +Total Standard Deviation in ln(k): 3.4482382447955313 +""", +) + +entry( + index = 6769, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O", + kinetics = ArrheniusBM(A=(4.38802e-08,'m^3/(mol*s)'), n=3.73674, w0=(426.3,'kJ/mol'), E0=(0.894935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13803461145985296, var=2.7419162450787278, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O + Total Standard Deviation in ln(k): 3.66640783494379"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O +Total Standard Deviation in ln(k): 3.66640783494379""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O +Total Standard Deviation in ln(k): 3.66640783494379 +""", +) + +entry( + index = 6770, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C", + kinetics = ArrheniusBM(A=(14161.5,'m^3/(mol*s)'), n=0.0490112, w0=(433.5,'kJ/mol'), E0=(18.3282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20197320518452394, var=0.19613319195430254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C + Total Standard Deviation in ln(k): 1.3953059287750458"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C +Total Standard Deviation in ln(k): 1.3953059287750458""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C +Total Standard Deviation in ln(k): 1.3953059287750458 +""", +) + +entry( + index = 6771, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_1CNO->C", + kinetics = ArrheniusBM(A=(18000,'m^3/(mol*s)'), n=9.73183e-08, w0=(421.5,'kJ/mol'), E0=(17.4521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6772, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_N-1CNO->C", + kinetics = ArrheniusBM(A=(556,'m^3/(mol*s)'), n=1.53, w0=(445.5,'kJ/mol'), E0=(73.495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_N-4BrCFNO->C_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6773, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.00576,'m^3/(mol*s)'), n=3.02, w0=(421.5,'kJ/mol'), E0=(26.726,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6774, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(1.89,'m^3/(mol*s)'), n=2.21, w0=(421.5,'kJ/mol'), E0=(34.2275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_5R!H->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6775, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O", + kinetics = ArrheniusBM(A=(6.98818e-08,'m^3/(mol*s)'), n=3.87698, w0=(423.552,'kJ/mol'), E0=(0.0223925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.301194570775728, var=13.512172303138584, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O + Total Standard Deviation in ln(k): 10.63852008248877"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O +Total Standard Deviation in ln(k): 10.63852008248877""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O +Total Standard Deviation in ln(k): 10.63852008248877 +""", +) + +entry( + index = 6776, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.174988,'m^3/(mol*s)'), n=2.56616, w0=(421.5,'kJ/mol'), E0=(37.2163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10089661100056684, var=0.43630729905502813, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 1.5777079906882583"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.5777079906882583""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.5777079906882583 +""", +) + +entry( + index = 6777, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O", + kinetics = ArrheniusBM(A=(0.00121999,'m^3/(mol*s)'), n=3.21313, w0=(421.5,'kJ/mol'), E0=(25.6933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.029820544894925968, var=0.15284994293282672, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O + Total Standard Deviation in ln(k): 0.8586977855229645"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O +Total Standard Deviation in ln(k): 0.8586977855229645""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O +Total Standard Deviation in ln(k): 0.8586977855229645 +""", +) + +entry( + index = 6778, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.00333754,'m^3/(mol*s)'), n=3.09142, w0=(421.5,'kJ/mol'), E0=(25.9596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_6R!H->O_Ext-4BrCFNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6779, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.00019757,'m^3/(mol*s)'), n=3.40453, w0=(421.5,'kJ/mol'), E0=(30.6458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02999657613489159, var=0.3827168761070347, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O + Total Standard Deviation in ln(k): 1.3155799013580105"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O +Total Standard Deviation in ln(k): 1.3155799013580105""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O +Total Standard Deviation in ln(k): 1.3155799013580105 +""", +) + +entry( + index = 6780, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(8.9986e-06,'m^3/(mol*s)'), n=3.78163, w0=(421.5,'kJ/mol'), E0=(27.9249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010298779402498081, var=0.21426547195645362, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 0.9538445118493578"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 0.9538445118493578""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 0.9538445118493578 +""", +) + +entry( + index = 6781, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(6.4186e-06,'m^3/(mol*s)'), n=3.83067, w0=(421.5,'kJ/mol'), E0=(28.2308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0076009370779597405, var=0.2505305842094476, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 1.0225284875533052"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.0225284875533052""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 1.0225284875533052 +""", +) + +entry( + index = 6782, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_5BrCClFN->Cl", + kinetics = ArrheniusBM(A=(3.45408e-06,'m^3/(mol*s)'), n=3.92342, w0=(421.5,'kJ/mol'), E0=(29.9587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_5BrCClFN->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_5BrCClFN->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_5BrCClFN->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_5BrCClFN->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6783, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl", + kinetics = ArrheniusBM(A=(6.96996e-06,'m^3/(mol*s)'), n=3.81728, w0=(421.5,'kJ/mol'), E0=(27.8394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014534365678798114, var=0.3364873779760932, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl + Total Standard Deviation in ln(k): 1.1994158501712389"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl +Total Standard Deviation in ln(k): 1.1994158501712389""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl +Total Standard Deviation in ln(k): 1.1994158501712389 +""", +) + +entry( + index = 6784, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_5BrF->Br", + kinetics = ArrheniusBM(A=(2.90813e-06,'m^3/(mol*s)'), n=3.94265, w0=(421.5,'kJ/mol'), E0=(28.928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_5BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_5BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_5BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6785, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br", + kinetics = ArrheniusBM(A=(9.26781e-06,'m^3/(mol*s)'), n=3.77768, w0=(421.5,'kJ/mol'), E0=(27.6403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06153164828901564, var=0.5138991354349052, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br + Total Standard Deviation in ln(k): 1.5917317262896404"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br +Total Standard Deviation in ln(k): 1.5917317262896404""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br +Total Standard Deviation in ln(k): 1.5917317262896404 +""", +) + +entry( + index = 6786, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(5.44792e-06,'m^3/(mol*s)'), n=3.87016, w0=(421.5,'kJ/mol'), E0=(27.5342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08245031785024212, var=2.58047785500069, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R + Total Standard Deviation in ln(k): 3.427541134032155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 3.427541134032155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 3.427541134032155 +""", +) + +entry( + index = 6787, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(3.21821e-06,'m^3/(mol*s)'), n=3.93916, w0=(421.5,'kJ/mol'), E0=(32.0515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-1CNO-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6788, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(3.74808e-05,'m^3/(mol*s)'), n=3.61814, w0=(421.5,'kJ/mol'), E0=(28.3211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-4BrCFNO-R_N-5BrCClFN->Cl_N-5BrF->Br_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6789, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(3.95135e-05,'m^3/(mol*s)'), n=3.61619, w0=(421.5,'kJ/mol'), E0=(26.6035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-6BrCClFINPSSi->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6790, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing", + kinetics = ArrheniusBM(A=(3.82135e-05,'m^3/(mol*s)'), n=3.67739, w0=(421.5,'kJ/mol'), E0=(25.001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8064830520668408, var=1.8325629711342726, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing + Total Standard Deviation in ln(k): 4.740193096322624"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing +Total Standard Deviation in ln(k): 4.740193096322624""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing +Total Standard Deviation in ln(k): 4.740193096322624 +""", +) + +entry( + index = 6791, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing_Ext-6BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(2.5e+07,'m^3/(mol*s)'), n=-2.56239e-09, w0=(421.5,'kJ/mol'), E0=(48.3748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing_Ext-6BrCClFINPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing_Ext-6BrCClFINPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing_Ext-6BrCClFINPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_N-1CNO-inRing_Ext-6BrCClFINPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6792, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(6.22044e-11,'m^3/(mol*s)'), n=5.2364, w0=(421.5,'kJ/mol'), E0=(0.36582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23432331262957462, var=0.7542320229240342, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.3297949448462156"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3297949448462156""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3297949448462156 +""", +) + +entry( + index = 6793, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.00452,'m^3/(mol*s)'), n=3.02, w0=(421.5,'kJ/mol'), E0=(27.569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6794, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-8R!H-R_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.00222,'m^3/(mol*s)'), n=3.02, w0=(421.5,'kJ/mol'), E0=(33.0436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-8R!H-R_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-8R!H-R_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-8R!H-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-8R!H-R_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6795, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R", + kinetics = ArrheniusBM(A=(1.73494e-10,'m^3/(mol*s)'), n=5.10919, w0=(421.5,'kJ/mol'), E0=(0.693932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08095602189722884, var=5.390638180845278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R + Total Standard Deviation in ln(k): 4.857950455832961"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R +Total Standard Deviation in ln(k): 4.857950455832961""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R +Total Standard Deviation in ln(k): 4.857950455832961 +""", +) + +entry( + index = 6796, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R_Int-7R!H-6BrCClFINPSSi", + kinetics = ArrheniusBM(A=(0.00402,'m^3/(mol*s)'), n=3.02, w0=(421.5,'kJ/mol'), E0=(34.7786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R_Int-7R!H-6BrCClFINPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R_Int-7R!H-6BrCClFINPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R_Int-7R!H-6BrCClFINPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-1CNO-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Int-7R!H-5BrCClFN_Ext-7R!H-R_Ext-5BrCClFN-R_Int-7R!H-6BrCClFINPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6797, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-5BrCClFN-R", + kinetics = ArrheniusBM(A=(1.60481e-05,'m^3/(mol*s)'), n=3.5703, w0=(445.5,'kJ/mol'), E0=(27.6266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-5BrCClFN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-5BrCClFN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-5BrCClFN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_Ext-5BrCClFN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6798, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O", + kinetics = ArrheniusBM(A=(9.12666e-08,'m^3/(mol*s)'), n=3.83195, w0=(445.5,'kJ/mol'), E0=(1.02705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04174536884961009, var=33.042635730124076, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O + Total Standard Deviation in ln(k): 11.628651201503517"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O +Total Standard Deviation in ln(k): 11.628651201503517""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O +Total Standard Deviation in ln(k): 11.628651201503517 +""", +) + +entry( + index = 6799, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_4BrCFNO->C", + kinetics = ArrheniusBM(A=(0.00095,'m^3/(mol*s)'), n=3.14, w0=(445.5,'kJ/mol'), E0=(33.693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6800, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_N-4BrCFNO->C", + kinetics = ArrheniusBM(A=(54000,'m^3/(mol*s)'), n=3.03537e-08, w0=(445.5,'kJ/mol'), E0=(34.8505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_N-4BrCFNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_N-4BrCFNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_1CNO->O_N-4BrCFNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6801, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O", + kinetics = ArrheniusBM(A=(0.0196342,'m^3/(mol*s)'), n=2.5806, w0=(419.938,'kJ/mol'), E0=(29.5302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08602751783964632, var=0.5470321179722059, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O + Total Standard Deviation in ln(k): 1.6988840750358054"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O +Total Standard Deviation in ln(k): 1.6988840750358054""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O +Total Standard Deviation in ln(k): 1.6988840750358054 +""", +) + +entry( + index = 6802, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(1.76588e-07,'m^3/(mol*s)'), n=4.17219, w0=(421.5,'kJ/mol'), E0=(26.4017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003360949075951074, var=1.376014625868175, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 2.360072010467281"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 2.360072010467281""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 2.360072010467281 +""", +) + +entry( + index = 6803, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_5BrCClFN->C", + kinetics = ArrheniusBM(A=(0.000838,'m^3/(mol*s)'), n=3.18, w0=(421.5,'kJ/mol'), E0=(43.045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_5BrCClFN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_5BrCClFN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_5BrCClFN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_5BrCClFN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6804, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C", + kinetics = ArrheniusBM(A=(8.63392e-06,'m^3/(mol*s)'), n=3.66159, w0=(421.5,'kJ/mol'), E0=(28.7254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005705319248312876, var=2.536028322684016, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C + Total Standard Deviation in ln(k): 3.206858005392351"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C +Total Standard Deviation in ln(k): 3.206858005392351""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C +Total Standard Deviation in ln(k): 3.206858005392351 +""", +) + +entry( + index = 6805, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(6.63901e-06,'m^3/(mol*s)'), n=3.83307, w0=(421.5,'kJ/mol'), E0=(28.7179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_Ext-4BrCFNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6806, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_5ClFN->F", + kinetics = ArrheniusBM(A=(3.58973e-07,'m^3/(mol*s)'), n=3.92969, w0=(421.5,'kJ/mol'), E0=(27.4274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_5ClFN->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_5ClFN->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_5ClFN->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_5ClFN->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6807, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_N-5ClFN->F", + kinetics = ArrheniusBM(A=(0.000177804,'m^3/(mol*s)'), n=3.27403, w0=(421.5,'kJ/mol'), E0=(29.5882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_N-5ClFN->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_N-5ClFN->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_N-5ClFN->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_Ext-4BrCFNO-R_N-5BrCClFN->C_N-5ClFN->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6808, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_5BrCClFN->Cl", + kinetics = ArrheniusBM(A=(0.00104804,'m^3/(mol*s)'), n=3.15729, w0=(421.5,'kJ/mol'), E0=(32.1139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_5BrCClFN->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_5BrCClFN->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_5BrCClFN->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_5BrCClFN->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6809, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl", + kinetics = ArrheniusBM(A=(27018.2,'m^3/(mol*s)'), n=0.684527, w0=(417.333,'kJ/mol'), E0=(37.102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01072342695254194, var=0.5423114099658164, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl + Total Standard Deviation in ln(k): 1.5032661973244315"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl +Total Standard Deviation in ln(k): 1.5032661973244315""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl +Total Standard Deviation in ln(k): 1.5032661973244315 +""", +) + +entry( + index = 6810, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_5CFN->F", + kinetics = ArrheniusBM(A=(0.00108762,'m^3/(mol*s)'), n=3.15371, w0=(421.5,'kJ/mol'), E0=(32.9938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_5CFN->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_5CFN->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_5CFN->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_5CFN->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6811, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F", + kinetics = ArrheniusBM(A=(1.66719e+06,'m^3/(mol*s)'), n=0.103143, w0=(415.25,'kJ/mol'), E0=(38.777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0461678105573945, var=0.7899889560720413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F + Total Standard Deviation in ln(k): 1.8978345814718371"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F +Total Standard Deviation in ln(k): 1.8978345814718371""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F +Total Standard Deviation in ln(k): 1.8978345814718371 +""", +) + +entry( + index = 6812, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_1CN->N", + kinetics = ArrheniusBM(A=(2.735e+06,'m^3/(mol*s)'), n=-3.20145e-08, w0=(409,'kJ/mol'), E0=(39.1106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6813, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_N-1CN->N", + kinetics = ArrheniusBM(A=(5.33333e+06,'m^3/(mol*s)'), n=9.65077e-09, w0=(421.5,'kJ/mol'), E0=(40.2324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_N-1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_N-1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_3BrHIN->H_N-5R!H->O_N-1CNO->O_N-5BrCClFN->Cl_N-5CFN->F_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6814, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F", + kinetics = ArrheniusBM(A=(0.0515565,'m^3/(mol*s)'), n=2.81502, w0=(386.5,'kJ/mol'), E0=(12.6174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22639687097611272, var=0.5926218562950253, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F + Total Standard Deviation in ln(k): 2.1121202455483306"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F +Total Standard Deviation in ln(k): 2.1121202455483306""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F +Total Standard Deviation in ln(k): 2.1121202455483306 +""", +) + +entry( + index = 6815, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(0.0804597,'m^3/(mol*s)'), n=2.81786, w0=(386.5,'kJ/mol'), E0=(16.7092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6816, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(0.0500751,'m^3/(mol*s)'), n=2.78954, w0=(386.5,'kJ/mol'), E0=(12.7659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22690200600727264, var=0.4090069341156972, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 1.8522067964326363"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 1.8522067964326363""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 1.8522067964326363 +""", +) + +entry( + index = 6817, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_6BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(0.0156532,'m^3/(mol*s)'), n=2.97436, w0=(386.5,'kJ/mol'), E0=(13.4849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_6BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_6BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_6BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_6BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6818, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_N-6BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(0.510816,'m^3/(mol*s)'), n=2.46043, w0=(386.5,'kJ/mol'), E0=(19.5959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_N-6BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_N-6BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_N-6BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_5R!H->F_Ext-4BrCFNO-R_N-6R!H->Cl_N-6BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6819, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F", + kinetics = ArrheniusBM(A=(5.38805e-05,'m^3/(mol*s)'), n=3.07563, w0=(396.458,'kJ/mol'), E0=(22.2361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20037961488682413, var=1.3193041219995627, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F + Total Standard Deviation in ln(k): 2.8061244193505033"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F +Total Standard Deviation in ln(k): 2.8061244193505033""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F +Total Standard Deviation in ln(k): 2.8061244193505033 +""", +) + +entry( + index = 6820, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R", + kinetics = ArrheniusBM(A=(0.000605006,'m^3/(mol*s)'), n=2.74731, w0=(398.5,'kJ/mol'), E0=(31.4619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4330037067709393, var=1.6012793506776097, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R + Total Standard Deviation in ln(k): 3.6247741994110734"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 3.6247741994110734""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R +Total Standard Deviation in ln(k): 3.6247741994110734 +""", +) + +entry( + index = 6821, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO", + kinetics = ArrheniusBM(A=(2.50317e+06,'m^3/(mol*s)'), n=-0.011036, w0=(398.5,'kJ/mol'), E0=(53.872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10072970169634725, var=0.13861180772278509, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO + Total Standard Deviation in ln(k): 0.9994647353286702"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO +Total Standard Deviation in ln(k): 0.9994647353286702""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO +Total Standard Deviation in ln(k): 0.9994647353286702 +""", +) + +entry( + index = 6822, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO_Ext-5BrCClINOPSSi-R", + kinetics = ArrheniusBM(A=(2.56667e+06,'m^3/(mol*s)'), n=2.59349e-09, w0=(398.5,'kJ/mol'), E0=(54.3643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO_Ext-5BrCClINOPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO_Ext-5BrCClINOPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO_Ext-5BrCClINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_Sp-6R!H-4BrCFNO_Ext-5BrCClINOPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6823, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO", + kinetics = ArrheniusBM(A=(4.30554e+07,'m^3/(mol*s)'), n=-0.359, w0=(398.5,'kJ/mol'), E0=(69.1216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05770174031968689, var=2.2914479778106434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO + Total Standard Deviation in ln(k): 3.179652873930623"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO +Total Standard Deviation in ln(k): 3.179652873930623""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO +Total Standard Deviation in ln(k): 3.179652873930623 +""", +) + +entry( + index = 6824, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(3.07e+06,'m^3/(mol*s)'), n=7.25901e-10, w0=(398.5,'kJ/mol'), E0=(62.4273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-4BrCFNO-R_N-Sp-6R!H-4BrCFNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6825, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R", + kinetics = ArrheniusBM(A=(4.02121e+06,'m^3/(mol*s)'), n=0.0711676, w0=(398.5,'kJ/mol'), E0=(49.5028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03922202142746373, var=8.93107862259343, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R + Total Standard Deviation in ln(k): 6.08968058422239"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R +Total Standard Deviation in ln(k): 6.08968058422239""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R +Total Standard Deviation in ln(k): 6.08968058422239 +""", +) + +entry( + index = 6826, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_Sp-6R!H-5BrCClINOPSSi", + kinetics = ArrheniusBM(A=(3.51667e+06,'m^3/(mol*s)'), n=-2.36306e-09, w0=(398.5,'kJ/mol'), E0=(53.0261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_Sp-6R!H-5BrCClINOPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_Sp-6R!H-5BrCClINOPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_Sp-6R!H-5BrCClINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_Sp-6R!H-5BrCClINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6827, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_N-Sp-6R!H-5BrCClINOPSSi", + kinetics = ArrheniusBM(A=(1.44333e+07,'m^3/(mol*s)'), n=8.96963e-09, w0=(398.5,'kJ/mol'), E0=(47.2237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_N-Sp-6R!H-5BrCClINOPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_N-Sp-6R!H-5BrCClINOPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_N-Sp-6R!H-5BrCClINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_Ext-5BrCClINOPSSi-R_N-Sp-6R!H-5BrCClINOPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6828, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_1CNO->N", + kinetics = ArrheniusBM(A=(1.07e+06,'m^3/(mol*s)'), n=1.82014e-08, w0=(386,'kJ/mol'), E0=(40.52,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_1CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_1CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6829, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N", + kinetics = ArrheniusBM(A=(5.56414e+07,'m^3/(mol*s)'), n=-0.361218, w0=(396.1,'kJ/mol'), E0=(53.3748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18805642744112547, var=0.7211056575999681, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N + Total Standard Deviation in ln(k): 2.1748833216920804"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N +Total Standard Deviation in ln(k): 2.1748833216920804""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N +Total Standard Deviation in ln(k): 2.1748833216920804 +""", +) + +entry( + index = 6830, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N", + kinetics = ArrheniusBM(A=(1.97348e+07,'m^3/(mol*s)'), n=-0.233569, w0=(398.5,'kJ/mol'), E0=(52.5614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1570176410592309, var=0.3186629762910501, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N + Total Standard Deviation in ln(k): 1.5261944782591408"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N +Total Standard Deviation in ln(k): 1.5261944782591408""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N +Total Standard Deviation in ln(k): 1.5261944782591408 +""", +) + +entry( + index = 6831, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_5BrCClINOPSSi->N", + kinetics = ArrheniusBM(A=(3.07e+06,'m^3/(mol*s)'), n=-5.67185e-09, w0=(398.5,'kJ/mol'), E0=(51.481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_5BrCClINOPSSi->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_5BrCClINOPSSi->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_5BrCClINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_5BrCClINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6832, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N", + kinetics = ArrheniusBM(A=(2.80512e+07,'m^3/(mol*s)'), n=-0.278005, w0=(398.5,'kJ/mol'), E0=(52.6307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23915828228662378, var=0.5956434208936898, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N + Total Standard Deviation in ln(k): 2.1481134141848237"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N +Total Standard Deviation in ln(k): 2.1481134141848237""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N +Total Standard Deviation in ln(k): 2.1481134141848237 +""", +) + +entry( + index = 6833, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(954607,'m^3/(mol*s)'), n=0.159693, w0=(398.5,'kJ/mol'), E0=(47.0489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29485873313564076, var=0.432032399893148, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R + Total Standard Deviation in ln(k): 2.0585468473819457"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R +Total Standard Deviation in ln(k): 2.0585468473819457""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R +Total Standard Deviation in ln(k): 2.0585468473819457 +""", +) + +entry( + index = 6834, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.76e+06,'m^3/(mol*s)'), n=-2.46505e-08, w0=(398.5,'kJ/mol'), E0=(48.1336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_3BrHIN->N_N-5BrCClINOPSSi->N_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6835, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_N-3BrHIN->N", + kinetics = ArrheniusBM(A=(2.84902e+12,'m^3/(mol*s)'), n=-1.54367, w0=(386.5,'kJ/mol'), E0=(2.65625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_N-3BrHIN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_N-3BrHIN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_N-3BrHIN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_Sp-5R!H-4BrCFNO_N-3BrHINO->O_N-5R!H->F_N-1CNO->N_N-3BrHIN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6836, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO", + kinetics = ArrheniusBM(A=(239998,'m^3/(mol*s)'), n=0.533816, w0=(425.464,'kJ/mol'), E0=(60.422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13461455144542067, var=9.466252946858145, Tref=1000.0, N=111, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO',), comment="""BM rule fitted to 111 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO + Total Standard Deviation in ln(k): 6.506251331910132"""), + rank = 11, + shortDesc = """BM rule fitted to 111 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO +Total Standard Deviation in ln(k): 6.506251331910132""", + longDesc = +""" +BM rule fitted to 111 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO +Total Standard Deviation in ln(k): 6.506251331910132 +""", +) + +entry( + index = 6837, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1", + kinetics = ArrheniusBM(A=(9.08029e+08,'m^3/(mol*s)'), n=-0.512287, w0=(424.679,'kJ/mol'), E0=(68.8723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2429124908139737, var=4.7881624807346235, Tref=1000.0, N=106, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1',), comment="""BM rule fitted to 106 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1 + Total Standard Deviation in ln(k): 4.997068187565764"""), + rank = 11, + shortDesc = """BM rule fitted to 106 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1 +Total Standard Deviation in ln(k): 4.997068187565764""", + longDesc = +""" +BM rule fitted to 106 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1 +Total Standard Deviation in ln(k): 4.997068187565764 +""", +) + +entry( + index = 6838, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.29578e+07,'m^3/(mol*s)'), n=0.104932, w0=(421.224,'kJ/mol'), E0=(63.7936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20439777356108665, var=9.15926237847857, Tref=1000.0, N=58, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R',), comment="""BM rule fitted to 58 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R + Total Standard Deviation in ln(k): 6.580747271010775"""), + rank = 11, + shortDesc = """BM rule fitted to 58 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.580747271010775""", + longDesc = +""" +BM rule fitted to 58 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.580747271010775 +""", +) + +entry( + index = 6839, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO", + kinetics = ArrheniusBM(A=(2.70009e+09,'m^3/(mol*s)'), n=-0.586035, w0=(421.16,'kJ/mol'), E0=(71.0454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28128144124480775, var=8.671111413758977, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO + Total Standard Deviation in ln(k): 6.6100307435742245"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO +Total Standard Deviation in ln(k): 6.6100307435742245""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO +Total Standard Deviation in ln(k): 6.6100307435742245 +""", +) + +entry( + index = 6840, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S", + kinetics = ArrheniusBM(A=(1.60044e-09,'m^3/(mol*s)'), n=5.04371, w0=(421.5,'kJ/mol'), E0=(17.6924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04345753744082956, var=0.583123503709605, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S + Total Standard Deviation in ln(k): 1.640056092640636"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S +Total Standard Deviation in ln(k): 1.640056092640636""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S +Total Standard Deviation in ln(k): 1.640056092640636 +""", +) + +entry( + index = 6841, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO", + kinetics = ArrheniusBM(A=(2.86727e-10,'m^3/(mol*s)'), n=5.26188, w0=(421.5,'kJ/mol'), E0=(20.6378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05547020109701289, var=0.7212154659284334, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO + Total Standard Deviation in ln(k): 1.841881712043787"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 1.841881712043787""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 1.841881712043787 +""", +) + +entry( + index = 6842, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C", + kinetics = ArrheniusBM(A=(3.74027e-05,'m^3/(mol*s)'), n=3.80003, w0=(421.5,'kJ/mol'), E0=(45.0674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07348339109433069, var=0.9811085327246235, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C + Total Standard Deviation in ln(k): 2.1703402317646576"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C +Total Standard Deviation in ln(k): 2.1703402317646576""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C +Total Standard Deviation in ln(k): 2.1703402317646576 +""", +) + +entry( + index = 6843, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(3.51194e-07,'m^3/(mol*s)'), n=4.39627, w0=(421.5,'kJ/mol'), E0=(23.129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6844, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C", + kinetics = ArrheniusBM(A=(6.84455e-08,'m^3/(mol*s)'), n=4.57774, w0=(421.5,'kJ/mol'), E0=(49.5748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09963858567156907, var=1.0388409234590512, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C + Total Standard Deviation in ln(k): 2.293645284519635"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C +Total Standard Deviation in ln(k): 2.293645284519635""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C +Total Standard Deviation in ln(k): 2.293645284519635 +""", +) + +entry( + index = 6845, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(5.0352e-08,'m^3/(mol*s)'), n=4.55904, w0=(421.5,'kJ/mol'), E0=(42.3614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023638606058284536, var=0.2555961041075988, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 1.072917639388644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.072917639388644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_Sp-5R!H=4BrCFNO_N-5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.072917639388644 +""", +) + +entry( + index = 6846, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO", + kinetics = ArrheniusBM(A=(8.96585e-07,'m^3/(mol*s)'), n=4.24891, w0=(421.5,'kJ/mol'), E0=(32.3769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021741749843575183, var=0.7007541520454795, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO + Total Standard Deviation in ln(k): 1.732812490155844"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 1.732812490155844""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 1.732812490155844 +""", +) + +entry( + index = 6847, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(4.59476e-07,'m^3/(mol*s)'), n=4.30819, w0=(421.5,'kJ/mol'), E0=(21.7575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028099121527143774, var=0.3680502881943327, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO_Ext-1CNO-R + Total Standard Deviation in ln(k): 1.2868164101314672"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.2868164101314672""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_6R!H->S_N-Sp-5R!H=4BrCFNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.2868164101314672 +""", +) + +entry( + index = 6848, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S", + kinetics = ArrheniusBM(A=(5.50612e+09,'m^3/(mol*s)'), n=-0.689228, w0=(421.056,'kJ/mol'), E0=(71.2657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27852731678568465, var=9.030746217231743, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S + Total Standard Deviation in ln(k): 6.724286855581701"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S +Total Standard Deviation in ln(k): 6.724286855581701""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S +Total Standard Deviation in ln(k): 6.724286855581701 +""", +) + +entry( + index = 6849, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R", + kinetics = ArrheniusBM(A=(2.91492e-09,'m^3/(mol*s)'), n=4.89618, w0=(413.889,'kJ/mol'), E0=(8.54431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3352964204290947, var=20.433945285447102, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R + Total Standard Deviation in ln(k): 9.904642045556324"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R +Total Standard Deviation in ln(k): 9.904642045556324""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R +Total Standard Deviation in ln(k): 9.904642045556324 +""", +) + +entry( + index = 6850, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO", + kinetics = ArrheniusBM(A=(2.07256e-08,'m^3/(mol*s)'), n=4.74536, w0=(407.8,'kJ/mol'), E0=(5.57632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5501330016150608, var=32.6144307820773, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO + Total Standard Deviation in ln(k): 12.831094398188807"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 12.831094398188807""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 12.831094398188807 +""", +) + +entry( + index = 6851, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_3BrHINO->I", + kinetics = ArrheniusBM(A=(6.70696,'m^3/(mol*s)'), n=2.71053, w0=(353,'kJ/mol'), E0=(2.82411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_3BrHINO->I',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_3BrHINO->I + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_3BrHINO->I +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_3BrHINO->I +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6852, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I", + kinetics = ArrheniusBM(A=(1.54526e-10,'m^3/(mol*s)'), n=5.25407, w0=(421.5,'kJ/mol'), E0=(0.221678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019024028102580304, var=12.708734866260086, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I + Total Standard Deviation in ln(k): 7.194541804744863"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I +Total Standard Deviation in ln(k): 7.194541804744863""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I +Total Standard Deviation in ln(k): 7.194541804744863 +""", +) + +entry( + index = 6853, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(3.04442e-08,'m^3/(mol*s)'), n=4.49082, w0=(421.5,'kJ/mol'), E0=(34.19,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05354432882357192, var=64.58899849634804, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I_Ext-1CNO-R + Total Standard Deviation in ln(k): 16.246044211948643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I_Ext-1CNO-R +Total Standard Deviation in ln(k): 16.246044211948643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_N-Sp-5R!H=4BrCFNO_N-3BrHINO->I_Ext-1CNO-R +Total Standard Deviation in ln(k): 16.246044211948643 +""", +) + +entry( + index = 6854, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.44178e-08,'m^3/(mol*s)'), n=4.51536, w0=(421.5,'kJ/mol'), E0=(43.4598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08054146910885193, var=78.95269642544183, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 18.01550515641083"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 18.01550515641083""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-6C-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 18.01550515641083 +""", +) + +entry( + index = 6855, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O", + kinetics = ArrheniusBM(A=(16.1624,'m^3/(mol*s)'), n=1.824, w0=(417.667,'kJ/mol'), E0=(40.2374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12171457280393588, var=6.763247719517347, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O + Total Standard Deviation in ln(k): 5.519378640671744"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O +Total Standard Deviation in ln(k): 5.519378640671744""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O +Total Standard Deviation in ln(k): 5.519378640671744 +""", +) + +entry( + index = 6856, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C", + kinetics = ArrheniusBM(A=(898000,'m^3/(mol*s)'), n=0.440937, w0=(415.75,'kJ/mol'), E0=(55.578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.055377555584451586, var=9.415220070092332, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C + Total Standard Deviation in ln(k): 6.290514925913799"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C +Total Standard Deviation in ln(k): 6.290514925913799""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C +Total Standard Deviation in ln(k): 6.290514925913799 +""", +) + +entry( + index = 6857, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO", + kinetics = ArrheniusBM(A=(2.62561e-05,'m^3/(mol*s)'), n=3.33607, w0=(416.9,'kJ/mol'), E0=(15.0915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13577037866264824, var=1.7517046655051374, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO + Total Standard Deviation in ln(k): 2.9944381767836834"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 2.9944381767836834""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 2.9944381767836834 +""", +) + +entry( + index = 6858, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(721141,'m^3/(mol*s)'), n=0.250572, w0=(413.833,'kJ/mol'), E0=(59.692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5341749556514058, var=5.511688794058164, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R + Total Standard Deviation in ln(k): 6.048661897485322"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.048661897485322""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.048661897485322 +""", +) + +entry( + index = 6859, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_3HIN->N", + kinetics = ArrheniusBM(A=(4.87e+06,'m^3/(mol*s)'), n=2.22206e-08, w0=(398.5,'kJ/mol'), E0=(61.1814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_3HIN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_3HIN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_3HIN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_3HIN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6860, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_N-3HIN->N", + kinetics = ArrheniusBM(A=(3.68328e-08,'m^3/(mol*s)'), n=4.26122, w0=(421.5,'kJ/mol'), E0=(33.0179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06851177179842025, var=68.89466533866158, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_N-3HIN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_N-3HIN->N + Total Standard Deviation in ln(k): 16.812004682742323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_N-3HIN->N +Total Standard Deviation in ln(k): 16.812004682742323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_Sp-5C=4BrCFNO_Ext-1CNO-R_N-3HIN->N +Total Standard Deviation in ln(k): 16.812004682742323 +""", +) + +entry( + index = 6861, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO", + kinetics = ArrheniusBM(A=(1.45946e+12,'m^3/(mol*s)'), n=-1.27541, w0=(414.929,'kJ/mol'), E0=(69.22,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2146777268674887, var=14.936682412429946, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO + Total Standard Deviation in ln(k): 8.287292275316537"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 8.287292275316537""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 8.287292275316537 +""", +) + +entry( + index = 6862, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N", + kinetics = ArrheniusBM(A=(2.5182e+15,'m^3/(mol*s)'), n=-2.21578, w0=(398.5,'kJ/mol'), E0=(74.6451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08103306319749137, var=36.26484584357667, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N + Total Standard Deviation in ln(k): 12.276175526419614"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N +Total Standard Deviation in ln(k): 12.276175526419614""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N +Total Standard Deviation in ln(k): 12.276175526419614 +""", +) + +entry( + index = 6863, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.67e+08,'m^3/(mol*s)'), n=1.00704e-07, w0=(398.5,'kJ/mol'), E0=(48.9788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_3HIN->N_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6864, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N", + kinetics = ArrheniusBM(A=(2.10064,'m^3/(mol*s)'), n=2.14041, w0=(421.5,'kJ/mol'), E0=(43.0841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2637483479932944, var=0.5577884029425775, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N + Total Standard Deviation in ln(k): 2.1599253551808633"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N +Total Standard Deviation in ln(k): 2.1599253551808633""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N +Total Standard Deviation in ln(k): 2.1599253551808633 +""", +) + +entry( + index = 6865, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.49323e-07,'m^3/(mol*s)'), n=4.35479, w0=(421.5,'kJ/mol'), E0=(18.9351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026889874743920107, var=5.4551150483478485, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N_Ext-1CNO-R + Total Standard Deviation in ln(k): 4.7498593791035"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.7498593791035""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_5R!H->C_N-Sp-5C=4BrCFNO_N-3HIN->N_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.7498593791035 +""", +) + +entry( + index = 6866, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00497908,'m^3/(mol*s)'), n=3.14547, w0=(421.5,'kJ/mol'), E0=(59.9734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6254338242844479, var=29.60733444523537, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C + Total Standard Deviation in ln(k): 12.479730988582686"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C +Total Standard Deviation in ln(k): 12.479730988582686""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C +Total Standard Deviation in ln(k): 12.479730988582686 +""", +) + +entry( + index = 6867, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.55315e-06,'m^3/(mol*s)'), n=4.14729, w0=(421.5,'kJ/mol'), E0=(56.932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1802581362461184, var=139.39668995943578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C_Ext-1CNO-R + Total Standard Deviation in ln(k): 24.122090309058596"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 24.122090309058596""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_N-3BrHINO->O_N-5R!H->C_Ext-1CNO-R +Total Standard Deviation in ln(k): 24.122090309058596 +""", +) + +entry( + index = 6868, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R", + kinetics = ArrheniusBM(A=(9.86969e-23,'m^3/(mol*s)'), n=8.18795, w0=(435,'kJ/mol'), E0=(0.472827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6034564451892421, var=4.942629603600883, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R + Total Standard Deviation in ln(k): 5.9731543716260305"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R +Total Standard Deviation in ln(k): 5.9731543716260305""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R +Total Standard Deviation in ln(k): 5.9731543716260305 +""", +) + +entry( + index = 6869, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C", + kinetics = ArrheniusBM(A=(5.67469e-09,'m^3/(mol*s)'), n=4.3377, w0=(435,'kJ/mol'), E0=(35.5475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3117591343615718, var=0.2391854097687892, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C + Total Standard Deviation in ln(k): 1.76376188106415"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C +Total Standard Deviation in ln(k): 1.76376188106415""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C +Total Standard Deviation in ln(k): 1.76376188106415 +""", +) + +entry( + index = 6870, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.41e-09,'m^3/(mol*s)'), n=4.313, w0=(435,'kJ/mol'), E0=(35.7316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23255341163416687, var=5.6064339396627684e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5843200650364199"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5843200650364199""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_5R!H->C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5843200650364199 +""", +) + +entry( + index = 6871, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.41064e-15,'m^3/(mol*s)'), n=5.89607, w0=(435,'kJ/mol'), E0=(-7.37127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5343725634218046, var=0.37988004107623485, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.578251254857874"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.578251254857874""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.578251254857874 +""", +) + +entry( + index = 6872, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.35792e-15,'m^3/(mol*s)'), n=5.95868, w0=(435,'kJ/mol'), E0=(-23.3643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_Sp-6R!H-1CNO_N-6R!H->S_Ext-3BrHINO-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6873, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO", + kinetics = ArrheniusBM(A=(5.70085,'m^3/(mol*s)'), n=2.13156, w0=(421.5,'kJ/mol'), E0=(40.1179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6098230642055077, var=13.681858135549321, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO + Total Standard Deviation in ln(k): 8.947532498910737"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO +Total Standard Deviation in ln(k): 8.947532498910737""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO +Total Standard Deviation in ln(k): 8.947532498910737 +""", +) + +entry( + index = 6874, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C", + kinetics = ArrheniusBM(A=(0.0580475,'m^3/(mol*s)'), n=2.69039, w0=(421.5,'kJ/mol'), E0=(34.3345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0194746965072041, var=6.344569081498128, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C + Total Standard Deviation in ln(k): 7.611106740023467"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C +Total Standard Deviation in ln(k): 7.611106740023467""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C +Total Standard Deviation in ln(k): 7.611106740023467 +""", +) + +entry( + index = 6875, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C", + kinetics = ArrheniusBM(A=(0.279598,'m^3/(mol*s)'), n=2.48062, w0=(421.5,'kJ/mol'), E0=(34.2488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6668727222113358, var=1.420371044832809, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C + Total Standard Deviation in ln(k): 4.06478924774383"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 4.06478924774383""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C +Total Standard Deviation in ln(k): 4.06478924774383 +""", +) + +entry( + index = 6876, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_Sp-5C=4BrCFNO", + kinetics = ArrheniusBM(A=(1.44784e-07,'m^3/(mol*s)'), n=4.45434, w0=(421.5,'kJ/mol'), E0=(34.7105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08874433037195062, var=3.5016133807730943, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_Sp-5C=4BrCFNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_Sp-5C=4BrCFNO + Total Standard Deviation in ln(k): 3.974355940321044"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 3.974355940321044""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 3.974355940321044 +""", +) + +entry( + index = 6877, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_N-Sp-5C=4BrCFNO", + kinetics = ArrheniusBM(A=(0.666585,'m^3/(mol*s)'), n=2.36215, w0=(421.5,'kJ/mol'), E0=(34.2223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.516806199066032, var=0.7601273964273776, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_N-Sp-5C=4BrCFNO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_N-Sp-5C=4BrCFNO + Total Standard Deviation in ln(k): 3.0463420336044704"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_N-Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 3.0463420336044704""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_5R!H->C_N-Sp-5C=4BrCFNO +Total Standard Deviation in ln(k): 3.0463420336044704 +""", +) + +entry( + index = 6878, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_N-5R!H->C", + kinetics = ArrheniusBM(A=(2.52151e-07,'m^3/(mol*s)'), n=4.47697, w0=(421.5,'kJ/mol'), E0=(52.6248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09170619084627667, var=110.60926540021049, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_N-5R!H->C + Total Standard Deviation in ln(k): 21.314404742304195"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 21.314404742304195""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_6R!H->C_N-5R!H->C +Total Standard Deviation in ln(k): 21.314404742304195 +""", +) + +entry( + index = 6879, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C", + kinetics = ArrheniusBM(A=(58883.3,'m^3/(mol*s)'), n=1.09314, w0=(421.5,'kJ/mol'), E0=(61.7206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5290841321862589, var=106.18533061281892, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C + Total Standard Deviation in ln(k): 21.98740364185271"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C +Total Standard Deviation in ln(k): 21.98740364185271""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C +Total Standard Deviation in ln(k): 21.98740364185271 +""", +) + +entry( + index = 6880, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_Sp-5R!H=4BrCFNO", + kinetics = ArrheniusBM(A=(0.689104,'m^3/(mol*s)'), n=2.46455, w0=(421.5,'kJ/mol'), E0=(10.4366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23338840853637738, var=51.42262846692625, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_Sp-5R!H=4BrCFNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_Sp-5R!H=4BrCFNO + Total Standard Deviation in ln(k): 14.962272655948231"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 14.962272655948231""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 14.962272655948231 +""", +) + +entry( + index = 6881, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_N-Sp-5R!H=4BrCFNO", + kinetics = ArrheniusBM(A=(5.30177e-08,'m^3/(mol*s)'), n=4.58595, w0=(421.5,'kJ/mol'), E0=(38.5401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27441608537556894, var=562.0101055957111, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_N-Sp-5R!H=4BrCFNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_N-Sp-5R!H=4BrCFNO + Total Standard Deviation in ln(k): 48.21524560012894"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_N-Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 48.21524560012894""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_Ext-1CNO-R_N-Sp-6R!H-1CNO_N-6R!H->C_N-Sp-5R!H=4BrCFNO +Total Standard Deviation in ln(k): 48.21524560012894 +""", +) + +entry( + index = 6882, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O", + kinetics = ArrheniusBM(A=(2.13936e+12,'m^3/(mol*s)'), n=-1.5089, w0=(438.958,'kJ/mol'), E0=(78.2776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34001635352948617, var=7.305754677800509, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O + Total Standard Deviation in ln(k): 6.272942878968567"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O +Total Standard Deviation in ln(k): 6.272942878968567""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O +Total Standard Deviation in ln(k): 6.272942878968567 +""", +) + +entry( + index = 6883, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N", + kinetics = ArrheniusBM(A=(151.049,'m^3/(mol*s)'), n=1.51077, w0=(434.75,'kJ/mol'), E0=(45.2549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.33760978047132717, var=1.7495148618224747, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N + Total Standard Deviation in ln(k): 3.499913386036313"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N +Total Standard Deviation in ln(k): 3.499913386036313""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N +Total Standard Deviation in ln(k): 3.499913386036313 +""", +) + +entry( + index = 6884, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_1CNO->C", + kinetics = ArrheniusBM(A=(378.049,'m^3/(mol*s)'), n=1.42089, w0=(435,'kJ/mol'), E0=(26.6861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6885, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C", + kinetics = ArrheniusBM(A=(1.97231,'m^3/(mol*s)'), n=2.04251, w0=(434.667,'kJ/mol'), E0=(41.2388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0830961070453047, var=3.4019014469881386, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C + Total Standard Deviation in ln(k): 6.418929338206847"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C +Total Standard Deviation in ln(k): 6.418929338206847""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C +Total Standard Deviation in ln(k): 6.418929338206847 +""", +) + +entry( + index = 6886, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N", + kinetics = ArrheniusBM(A=(454.699,'m^3/(mol*s)'), n=1.41772, w0=(422.5,'kJ/mol'), E0=(50.5723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47173866123878433, var=1.676972204706096, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N + Total Standard Deviation in ln(k): 3.781364078003795"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N +Total Standard Deviation in ln(k): 3.781364078003795""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N +Total Standard Deviation in ln(k): 3.781364078003795 +""", +) + +entry( + index = 6887, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.029,'m^3/(mol*s)'), n=2.69, w0=(422.5,'kJ/mol'), E0=(44.8768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_1NO->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6888, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-1NO->N", + kinetics = ArrheniusBM(A=(12.54,'m^3/(mol*s)'), n=1.70801, w0=(459,'kJ/mol'), E0=(33.6685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-1NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-1NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6889, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N", + kinetics = ArrheniusBM(A=(2.7868e+13,'m^3/(mol*s)'), n=-1.86023, w0=(439.8,'kJ/mol'), E0=(81.4994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11198198520414487, var=14.41528050821507, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N + Total Standard Deviation in ln(k): 7.892831742428372"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N +Total Standard Deviation in ln(k): 7.892831742428372""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N +Total Standard Deviation in ln(k): 7.892831742428372 +""", +) + +entry( + index = 6890, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O", + kinetics = ArrheniusBM(A=(1.79242e+08,'m^3/(mol*s)'), n=-0.231619, w0=(435,'kJ/mol'), E0=(61.7846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.1412025982329297, var=19.94643282800596, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O + Total Standard Deviation in ln(k): 16.84590226740357"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O +Total Standard Deviation in ln(k): 16.84590226740357""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O +Total Standard Deviation in ln(k): 16.84590226740357 +""", +) + +entry( + index = 6891, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.0293336,'m^3/(mol*s)'), n=2.36647, w0=(435,'kJ/mol'), E0=(54.4863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0045634686586584336, var=1.9487512277314656, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R + Total Standard Deviation in ln(k): 2.8100296609873365"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R +Total Standard Deviation in ln(k): 2.8100296609873365""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R +Total Standard Deviation in ln(k): 2.8100296609873365 +""", +) + +entry( + index = 6892, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.13903e-15,'m^3/(mol*s)'), n=6.10734, w0=(435,'kJ/mol'), E0=(-0.36003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0774580650003354, var=0.3798800482493615, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.9427877026505747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9427877026505747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9427877026505747 +""", +) + +entry( + index = 6893, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.9924e-15,'m^3/(mol*s)'), n=6.11471, w0=(435,'kJ/mol'), E0=(-0.500546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_5R!H->O_Ext-3O-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6894, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.29876e+08,'m^3/(mol*s)'), n=-0.450122, w0=(441.4,'kJ/mol'), E0=(71.8891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5754143172402527, var=5.373916748577719, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O + Total Standard Deviation in ln(k): 6.093083319426325"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O +Total Standard Deviation in ln(k): 6.093083319426325""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O +Total Standard Deviation in ln(k): 6.093083319426325 +""", +) + +entry( + index = 6895, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C", + kinetics = ArrheniusBM(A=(59.306,'m^3/(mol*s)'), n=1.34452, w0=(435,'kJ/mol'), E0=(55.5841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.808381070719569, var=2.5819909510203938, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C + Total Standard Deviation in ln(k): 5.252431766172237"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C +Total Standard Deviation in ln(k): 5.252431766172237""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C +Total Standard Deviation in ln(k): 5.252431766172237 +""", +) + +entry( + index = 6896, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(12311.8,'m^3/(mol*s)'), n=0.955553, w0=(435,'kJ/mol'), E0=(66.0192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.5293449162486743, var=12.59810383383763, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R + Total Standard Deviation in ln(k): 13.470706108481258"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R +Total Standard Deviation in ln(k): 13.470706108481258""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R +Total Standard Deviation in ln(k): 13.470706108481258 +""", +) + +entry( + index = 6897, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R_Ext-3O-R", + kinetics = ArrheniusBM(A=(5.7833e-10,'m^3/(mol*s)'), n=4.65, w0=(435,'kJ/mol'), E0=(39.1902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16825325633985228, var=1.1560034370402082e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R_Ext-3O-R + Total Standard Deviation in ln(k): 0.42275369133515545"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R_Ext-3O-R +Total Standard Deviation in ln(k): 0.42275369133515545""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-5C-R_Ext-3O-R +Total Standard Deviation in ln(k): 0.42275369133515545 +""", +) + +entry( + index = 6898, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.675803,'m^3/(mol*s)'), n=1.89579, w0=(435,'kJ/mol'), E0=(50.6725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3827164569629672, var=0.4740562719544524, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R + Total Standard Deviation in ln(k): 2.341894211319954"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 2.341894211319954""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 2.341894211319954 +""", +) + +entry( + index = 6899, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_6R!H->O", + kinetics = ArrheniusBM(A=(1.00351e-10,'m^3/(mol*s)'), n=4.86376, w0=(435,'kJ/mol'), E0=(43.6201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1910154347380548, var=0.0905830883080421, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_6R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_6R!H->O + Total Standard Deviation in ln(k): 1.0833038854155257"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_6R!H->O +Total Standard Deviation in ln(k): 1.0833038854155257""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_6R!H->O +Total Standard Deviation in ln(k): 1.0833038854155257 +""", +) + +entry( + index = 6900, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(0.69428,'m^3/(mol*s)'), n=1.89095, w0=(435,'kJ/mol'), E0=(50.5281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24859491429658426, var=0.1997318645763789, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O + Total Standard Deviation in ln(k): 1.5205539293096013"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O +Total Standard Deviation in ln(k): 1.5205539293096013""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O +Total Standard Deviation in ln(k): 1.5205539293096013 +""", +) + +entry( + index = 6901, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi", + kinetics = ArrheniusBM(A=(0.76799,'m^3/(mol*s)'), n=1.87732, w0=(435,'kJ/mol'), E0=(50.5966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2578924573856846, var=0.07423207336954334, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi + Total Standard Deviation in ln(k): 1.1941723681751122"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi +Total Standard Deviation in ln(k): 1.1941723681751122""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi +Total Standard Deviation in ln(k): 1.1941723681751122 +""", +) + +entry( + index = 6902, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_Sp-5C=4C", + kinetics = ArrheniusBM(A=(1.19e-07,'m^3/(mol*s)'), n=3.9, w0=(435,'kJ/mol'), E0=(32.5646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03576236549447429, var=2.3887738700526555e-30, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_Sp-5C=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_Sp-5C=4C + Total Standard Deviation in ln(k): 0.08985518968461187"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_Sp-5C=4C +Total Standard Deviation in ln(k): 0.08985518968461187""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_Sp-5C=4C +Total Standard Deviation in ln(k): 0.08985518968461187 +""", +) + +entry( + index = 6903, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_N-Sp-5C=4C", + kinetics = ArrheniusBM(A=(0.81,'m^3/(mol*s)'), n=1.87, w0=(435,'kJ/mol'), E0=(50.6363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_N-Sp-5C=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_N-Sp-5C=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_N-Sp-5C=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_Sp-7R!H-6BrCClFINPSSi_N-Sp-5C=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6904, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_N-Sp-7R!H-6BrCClFINPSSi", + kinetics = ArrheniusBM(A=(2.92528e-10,'m^3/(mol*s)'), n=4.90903, w0=(435,'kJ/mol'), E0=(40.3502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_N-Sp-7R!H-6BrCClFINPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_N-Sp-7R!H-6BrCClFINPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_N-Sp-7R!H-6BrCClFINPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_1CNO->C_Ext-3O-R_N-6R!H->O_Ext-6BrCClFINPSSi-R_N-Sp-7R!H-6BrCClFINPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6905, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C", + kinetics = ArrheniusBM(A=(1.24468e+15,'m^3/(mol*s)'), n=-2.31768, w0=(459,'kJ/mol'), E0=(93.6856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.091544923773911, var=124.72275315109023, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C + Total Standard Deviation in ln(k): 37.69413858576485"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C +Total Standard Deviation in ln(k): 37.69413858576485""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C +Total Standard Deviation in ln(k): 37.69413858576485 +""", +) + +entry( + index = 6906, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(944.901,'m^3/(mol*s)'), n=0.963885, w0=(459,'kJ/mol'), E0=(112.346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.938906578535492, var=74.71464836359515, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R + Total Standard Deviation in ln(k): 19.687517750911407"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 19.687517750911407""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R +Total Standard Deviation in ln(k): 19.687517750911407 +""", +) + +entry( + index = 6907, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(1289.41,'m^3/(mol*s)'), n=0.98941, w0=(459,'kJ/mol'), E0=(102.824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0776778968505853, var=111.44197170050285, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R + Total Standard Deviation in ln(k): 26.38349850648888"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R +Total Standard Deviation in ln(k): 26.38349850648888""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R +Total Standard Deviation in ln(k): 26.38349850648888 +""", +) + +entry( + index = 6908, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0179006,'m^3/(mol*s)'), n=2.48753, w0=(459,'kJ/mol'), E0=(75.0525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_3BrHINO->O_N-4BrCFNO->N_N-5R!H->O_N-1CNO->C_Ext-3O-R_Ext-5C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6909, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O", + kinetics = ArrheniusBM(A=(1.7564e-06,'m^3/(mol*s)'), n=3.76295, w0=(418.75,'kJ/mol'), E0=(16.4384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18331808309464415, var=2.8156413508369877, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O + Total Standard Deviation in ln(k): 3.8245181816617175"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O +Total Standard Deviation in ln(k): 3.8245181816617175""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O +Total Standard Deviation in ln(k): 3.8245181816617175 +""", +) + +entry( + index = 6910, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N", + kinetics = ArrheniusBM(A=(1.24873e-05,'m^3/(mol*s)'), n=3.53078, w0=(418.357,'kJ/mol'), E0=(9.32409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19437075822792904, var=3.9264002801142133, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N + Total Standard Deviation in ln(k): 4.460780650301954"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N +Total Standard Deviation in ln(k): 4.460780650301954""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N +Total Standard Deviation in ln(k): 4.460780650301954 +""", +) + +entry( + index = 6911, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C", + kinetics = ArrheniusBM(A=(2.06003,'m^3/(mol*s)'), n=2.07282, w0=(410,'kJ/mol'), E0=(8.62411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15530984026645295, var=13.978592559918152, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C + Total Standard Deviation in ln(k): 7.885520421560452"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C +Total Standard Deviation in ln(k): 7.885520421560452""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C +Total Standard Deviation in ln(k): 7.885520421560452 +""", +) + +entry( + index = 6912, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_3HIN->N", + kinetics = ArrheniusBM(A=(2.8,'m^3/(mol*s)'), n=1.94, w0=(398.5,'kJ/mol'), E0=(30.8589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_3HIN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_3HIN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_3HIN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_3HIN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6913, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_N-3HIN->N", + kinetics = ArrheniusBM(A=(440,'m^3/(mol*s)'), n=1.5, w0=(421.5,'kJ/mol'), E0=(21.8001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_N-3HIN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_N-3HIN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_N-3HIN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_1CNO->C_N-3HIN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6914, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C", + kinetics = ArrheniusBM(A=(3.61634e-08,'m^3/(mol*s)'), n=4.24006, w0=(421.7,'kJ/mol'), E0=(13.3907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44009937290889545, var=0.8303116556825173, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C + Total Standard Deviation in ln(k): 2.932520759778951"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C +Total Standard Deviation in ln(k): 2.932520759778951""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C +Total Standard Deviation in ln(k): 2.932520759778951 +""", +) + +entry( + index = 6915, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N", + kinetics = ArrheniusBM(A=(0.161123,'m^3/(mol*s)'), n=2.19854, w0=(404.25,'kJ/mol'), E0=(41.7505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10815101460394375, var=0.10011082528108105, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N + Total Standard Deviation in ln(k): 0.9060403053410321"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N +Total Standard Deviation in ln(k): 0.9060403053410321""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N +Total Standard Deviation in ln(k): 0.9060403053410321 +""", +) + +entry( + index = 6916, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_1NO->N", + kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(386,'kJ/mol'), E0=(47.0951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_1NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_1NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_1NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_1NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6917, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_N-1NO->N", + kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(422.5,'kJ/mol'), E0=(41.6688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_N-1NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_N-1NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_3HIN->N_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6918, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N", + kinetics = ArrheniusBM(A=(4.03958e-10,'m^3/(mol*s)'), n=4.92864, w0=(433.333,'kJ/mol'), E0=(14.3895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5642071015430573, var=1.054665670721777, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N + Total Standard Deviation in ln(k): 3.476406895993697"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N +Total Standard Deviation in ln(k): 3.476406895993697""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N +Total Standard Deviation in ln(k): 3.476406895993697 +""", +) + +entry( + index = 6919, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_1NO->N", + kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(409,'kJ/mol'), E0=(55.4645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_1NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_1NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_1NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_1NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6920, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N", + kinetics = ArrheniusBM(A=(12.7814,'m^3/(mol*s)'), n=1.89229, w0=(445.5,'kJ/mol'), E0=(59.1502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5216444012214969, var=1.2852061600170293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N + Total Standard Deviation in ln(k): 3.583371005743066"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N +Total Standard Deviation in ln(k): 3.583371005743066""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N +Total Standard Deviation in ln(k): 3.583371005743066 +""", +) + +entry( + index = 6921, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_5R!H->O", + kinetics = ArrheniusBM(A=(201,'m^3/(mol*s)'), n=1.55, w0=(445.5,'kJ/mol'), E0=(69.708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6922, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_N-5R!H->O", + kinetics = ArrheniusBM(A=(200,'m^3/(mol*s)'), n=1.55, w0=(445.5,'kJ/mol'), E0=(61.7572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_N-5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_N-5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_4BrCFNO->N_N-1CNO->C_N-3HIN->N_N-1NO->N_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6923, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N", + kinetics = ArrheniusBM(A=(1.20798e-08,'m^3/(mol*s)'), n=4.35055, w0=(418.912,'kJ/mol'), E0=(2.08405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19736355602264438, var=0.9761901956601303, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N + Total Standard Deviation in ln(k): 2.4766134550655248"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N +Total Standard Deviation in ln(k): 2.4766134550655248""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N +Total Standard Deviation in ln(k): 2.4766134550655248 +""", +) + +entry( + index = 6924, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_5R!H->S", + kinetics = ArrheniusBM(A=(1.04857e-08,'m^3/(mol*s)'), n=4.71942, w0=(421.5,'kJ/mol'), E0=(47.0406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040536406302140233, var=54.67247213581435, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_5R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_5R!H->S + Total Standard Deviation in ln(k): 14.925029005135551"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_5R!H->S +Total Standard Deviation in ln(k): 14.925029005135551""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_5R!H->S +Total Standard Deviation in ln(k): 14.925029005135551 +""", +) + +entry( + index = 6925, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S", + kinetics = ArrheniusBM(A=(1.23859e-08,'m^3/(mol*s)'), n=4.34708, w0=(418.567,'kJ/mol'), E0=(1.81325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.196708815289557, var=0.9674676337219941, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S + Total Standard Deviation in ln(k): 2.4660993250367835"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S +Total Standard Deviation in ln(k): 2.4660993250367835""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S +Total Standard Deviation in ln(k): 2.4660993250367835 +""", +) + +entry( + index = 6926, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_5CNO->N", + kinetics = ArrheniusBM(A=(0.0132667,'m^3/(mol*s)'), n=2.76, w0=(421.5,'kJ/mol'), E0=(39.9409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_5CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_5CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_5CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_5CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6927, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N", + kinetics = ArrheniusBM(A=(1.30831e-08,'m^3/(mol*s)'), n=4.33795, w0=(418.357,'kJ/mol'), E0=(3.87232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20043131832914163, var=1.0104710770221013, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N + Total Standard Deviation in ln(k): 2.51879988946123"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N +Total Standard Deviation in ln(k): 2.51879988946123""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N +Total Standard Deviation in ln(k): 2.51879988946123 +""", +) + +entry( + index = 6928, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N", + kinetics = ArrheniusBM(A=(0.435671,'m^3/(mol*s)'), n=2.03375, w0=(404.5,'kJ/mol'), E0=(47.1095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46802144863328843, var=1.2768313117626897, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N + Total Standard Deviation in ln(k): 3.441222994695242"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N +Total Standard Deviation in ln(k): 3.441222994695242""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N +Total Standard Deviation in ln(k): 3.441222994695242 +""", +) + +entry( + index = 6929, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C", + kinetics = ArrheniusBM(A=(154.985,'m^3/(mol*s)'), n=1.30898, w0=(398.5,'kJ/mol'), E0=(51.4585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.286460053903, var=3.6711022128124973, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C + Total Standard Deviation in ln(k): 4.560845463889978"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C +Total Standard Deviation in ln(k): 4.560845463889978""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C +Total Standard Deviation in ln(k): 4.560845463889978 +""", +) + +entry( + index = 6930, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C", + kinetics = ArrheniusBM(A=(1.75026e+06,'m^3/(mol*s)'), n=0.0818473, w0=(398.5,'kJ/mol'), E0=(63.546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04316961504069533, var=4.753507841976041, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C + Total Standard Deviation in ln(k): 4.479298196024448"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C +Total Standard Deviation in ln(k): 4.479298196024448""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C +Total Standard Deviation in ln(k): 4.479298196024448 +""", +) + +entry( + index = 6931, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C_Ext-5CO-R", + kinetics = ArrheniusBM(A=(2.28333e+06,'m^3/(mol*s)'), n=-1.97411e-08, w0=(398.5,'kJ/mol'), E0=(67.6883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C_Ext-5CO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C_Ext-5CO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C_Ext-5CO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_Sp-5CO=4C_Ext-5CO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6932, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_N-Sp-5CO=4C", + kinetics = ArrheniusBM(A=(1.65667e+07,'m^3/(mol*s)'), n=2.89223e-08, w0=(398.5,'kJ/mol'), E0=(63.7218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_N-Sp-5CO=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_N-Sp-5CO=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_N-Sp-5CO=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_1CNO->C_N-Sp-5CO=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6933, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_N-1CNO->C", + kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(422.5,'kJ/mol'), E0=(48.5445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_3HIN->N_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6934, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N", + kinetics = ArrheniusBM(A=(5.68655e-10,'m^3/(mol*s)'), n=4.85564, w0=(423.9,'kJ/mol'), E0=(13.7754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.309936842423896, var=1.251621354277541, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N + Total Standard Deviation in ln(k): 3.021550885607653"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N +Total Standard Deviation in ln(k): 3.021550885607653""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N +Total Standard Deviation in ln(k): 3.021550885607653 +""", +) + +entry( + index = 6935, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C", + kinetics = ArrheniusBM(A=(3.23602e-07,'m^3/(mol*s)'), n=4.14675, w0=(421.5,'kJ/mol'), E0=(29.8599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1256373346192593, var=0.18633543111476022, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C + Total Standard Deviation in ln(k): 1.1810474244196312"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C +Total Standard Deviation in ln(k): 1.1810474244196312""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C +Total Standard Deviation in ln(k): 1.1810474244196312 +""", +) + +entry( + index = 6936, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_5CO->O", + kinetics = ArrheniusBM(A=(0.0009,'m^3/(mol*s)'), n=3.1, w0=(421.5,'kJ/mol'), E0=(36.5859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_5CO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_5CO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_5CO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_5CO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6937, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O", + kinetics = ArrheniusBM(A=(1.03698e-10,'m^3/(mol*s)'), n=5.15647, w0=(421.5,'kJ/mol'), E0=(17.2132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11163402791781803, var=0.17413416007281152, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O + Total Standard Deviation in ln(k): 1.1170511327928585"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O +Total Standard Deviation in ln(k): 1.1170511327928585""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O +Total Standard Deviation in ln(k): 1.1170511327928585 +""", +) + +entry( + index = 6938, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C", + kinetics = ArrheniusBM(A=(0.00056276,'m^3/(mol*s)'), n=3.23032, w0=(421.5,'kJ/mol'), E0=(45.2482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13103322408871343, var=0.38418759485845494, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C + Total Standard Deviation in ln(k): 1.5718215067562367"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C +Total Standard Deviation in ln(k): 1.5718215067562367""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C +Total Standard Deviation in ln(k): 1.5718215067562367 +""", +) + +entry( + index = 6939, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=3.14, w0=(421.5,'kJ/mol'), E0=(45.3035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_Sp-5C=4C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6940, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_N-Sp-5C=4C", + kinetics = ArrheniusBM(A=(2.43643e-06,'m^3/(mol*s)'), n=3.9039, w0=(421.5,'kJ/mol'), E0=(31.9522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08579394991318516, var=0.1390350737654397, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_N-Sp-5C=4C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_N-Sp-5C=4C + Total Standard Deviation in ln(k): 0.9630764203390273"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_N-Sp-5C=4C +Total Standard Deviation in ln(k): 0.9630764203390273""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_1CNO->C_N-5CO->O_N-Sp-5C=4C +Total Standard Deviation in ln(k): 0.9630764203390273 +""", +) + +entry( + index = 6941, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_N-1CNO->C", + kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(445.5,'kJ/mol'), E0=(58.4319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_3BrHINO-u1_N-3BrHINO->O_N-4BrCFNO->N_N-5R!H->S_N-5CNO->N_N-3HIN->N_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6942, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1", + kinetics = ArrheniusBM(A=(2.4779e-13,'m^3/(mol*s)'), n=5.80035, w0=(442.1,'kJ/mol'), E0=(1.23989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5114566087805409, var=43.500500172721594, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1 + Total Standard Deviation in ln(k): 14.507278810129492"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1 +Total Standard Deviation in ln(k): 14.507278810129492""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1 +Total Standard Deviation in ln(k): 14.507278810129492 +""", +) + +entry( + index = 6943, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0", + kinetics = ArrheniusBM(A=(1.71812e-17,'m^3/(mol*s)'), n=6.98371, w0=(443.875,'kJ/mol'), E0=(8.87449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21139193564391687, var=51.92635100332744, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0 + Total Standard Deviation in ln(k): 14.977244661200782"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0 +Total Standard Deviation in ln(k): 14.977244661200782""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0 +Total Standard Deviation in ln(k): 14.977244661200782 +""", +) + +entry( + index = 6944, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O", + kinetics = ArrheniusBM(A=(4.957e-23,'m^3/(mol*s)'), n=8.52968, w0=(459,'kJ/mol'), E0=(2.85644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06975227733353447, var=231.71085091759358, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O + Total Standard Deviation in ln(k): 30.691437507548024"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O +Total Standard Deviation in ln(k): 30.691437507548024""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O +Total Standard Deviation in ln(k): 30.691437507548024 +""", +) + +entry( + index = 6945, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_4BrCFNO->N", + kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(459,'kJ/mol'), E0=(139.358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_4BrCFNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_4BrCFNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_4BrCFNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_4BrCFNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6946, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_N-4BrCFNO->N", + kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(459,'kJ/mol'), E0=(44.5129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_N-4BrCFNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_N-4BrCFNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_N-4BrCFNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_1CNO->O_N-4BrCFNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6947, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O", + kinetics = ArrheniusBM(A=(3139.65,'m^3/(mol*s)'), n=1.21968, w0=(428.75,'kJ/mol'), E0=(60.4692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08980018229153117, var=2.8207125179832073, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O + Total Standard Deviation in ln(k): 3.592576546542028"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O +Total Standard Deviation in ln(k): 3.592576546542028""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O +Total Standard Deviation in ln(k): 3.592576546542028 +""", +) + +entry( + index = 6948, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_1CN->N", + kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(422.5,'kJ/mol'), E0=(62.7723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6949, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_N-1CN->N", + kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(435,'kJ/mol'), E0=(52.9165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_N-1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_N-1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_1CNO-u0_N-1CNO->O_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6950, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_N-1CNO-u0", + kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(435,'kJ/mol'), E0=(-3.72376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_N-1CNO-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_N-1CNO-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_N-1CNO-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-Sp-5R!H-4BrCFNO_N-3BrHINO-u1_N-1CNO-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6951, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-3BrHINO-u1", + kinetics = ArrheniusBM(A=(2.62667e-09,'m^3/(mol*s)'), n=4.29278, w0=(435,'kJ/mol'), E0=(70.2213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-3BrHINO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-3BrHINO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-3BrHINO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-3BrHINO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6952, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_1CNO-inRing", + kinetics = ArrheniusBM(A=(163.5,'m^3/(mol*s)'), n=1.71, w0=(421.5,'kJ/mol'), E0=(57.4144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_1CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_1CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_1CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6953, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing", + kinetics = ArrheniusBM(A=(0.121321,'m^3/(mol*s)'), n=2.23999, w0=(427.575,'kJ/mol'), E0=(33.6727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25258682628162477, var=1.8149670504962903, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing + Total Standard Deviation in ln(k): 3.3354336565995655"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing +Total Standard Deviation in ln(k): 3.3354336565995655""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing +Total Standard Deviation in ln(k): 3.3354336565995655 +""", +) + +entry( + index = 6954, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O", + kinetics = ArrheniusBM(A=(4.97558,'m^3/(mol*s)'), n=1.70724, w0=(435,'kJ/mol'), E0=(36.521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.608806900559158, var=4.274451268795228, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O + Total Standard Deviation in ln(k): 5.674404454395399"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O +Total Standard Deviation in ln(k): 5.674404454395399""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O +Total Standard Deviation in ln(k): 5.674404454395399 +""", +) + +entry( + index = 6955, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(14.0969,'m^3/(mol*s)'), n=1.59077, w0=(435,'kJ/mol'), E0=(38.1584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.220586000557597, var=12.748262211183244, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R + Total Standard Deviation in ln(k): 12.737210000078798"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 12.737210000078798""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 12.737210000078798 +""", +) + +entry( + index = 6956, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(0.000102014,'m^3/(mol*s)'), n=3.10888, w0=(435,'kJ/mol'), E0=(28.118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.938475979574731, var=27.552770138645034, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0 + Total Standard Deviation in ln(k): 17.90610677396147"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 17.90610677396147""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 17.90610677396147 +""", +) + +entry( + index = 6957, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(141833,'m^3/(mol*s)'), n=-0.00800079, w0=(435,'kJ/mol'), E0=(45.0748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24468584090474163, var=0.18649163118054454, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R + Total Standard Deviation in ln(k): 1.4805269092003577"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.4805269092003577""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.4805269092003577 +""", +) + +entry( + index = 6958, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(133000,'m^3/(mol*s)'), n=4.83554e-10, w0=(435,'kJ/mol'), E0=(46.4631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_6R!H-u0_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6959, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(1.15467e+09,'m^3/(mol*s)'), n=-0.941, w0=(435,'kJ/mol'), E0=(52.9984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2655572393574421, var=2.893116855045894, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 6.589678979907528"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 6.589678979907528""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 6.589678979907528 +""", +) + +entry( + index = 6960, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.31916e+07,'m^3/(mol*s)'), n=-0.384543, w0=(435,'kJ/mol'), E0=(59.3169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26664699478449, var=0.5261401018955892, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.1241122477727092"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.1241122477727092""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.1241122477727092 +""", +) + +entry( + index = 6961, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(600000,'m^3/(mol*s)'), n=-5.3626e-08, w0=(435,'kJ/mol'), E0=(57.7537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_3BrHINO->O_Ext-3O-R_N-6R!H-u0_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6962, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O", + kinetics = ArrheniusBM(A=(0.00307098,'m^3/(mol*s)'), n=2.86197, w0=(421.5,'kJ/mol'), E0=(35.1433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5084696033261952, var=0.5687505479434506, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O + Total Standard Deviation in ln(k): 2.78944384162125"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O +Total Standard Deviation in ln(k): 2.78944384162125""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O +Total Standard Deviation in ln(k): 2.78944384162125 +""", +) + +entry( + index = 6963, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.34768e-09,'m^3/(mol*s)'), n=4.89288, w0=(421.5,'kJ/mol'), E0=(30.5197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05302538236524908, var=0.4873859666220948, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 1.5327959779357183"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.5327959779357183""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 1.5327959779357183 +""", +) + +entry( + index = 6964, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.33087e-07,'m^3/(mol*s)'), n=4.18311, w0=(421.5,'kJ/mol'), E0=(35.4748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06841046265331148, var=1.1860656840445618, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.355175253871828"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.355175253871828""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.355175253871828 +""", +) + +entry( + index = 6965, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_6R!H->S", + kinetics = ArrheniusBM(A=(2.22761e-08,'m^3/(mol*s)'), n=4.45938, w0=(421.5,'kJ/mol'), E0=(27.6231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03017439992377498, var=1.280822877256645, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_6R!H->S + Total Standard Deviation in ln(k): 2.3446428359707383"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_6R!H->S +Total Standard Deviation in ln(k): 2.3446428359707383""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_6R!H->S +Total Standard Deviation in ln(k): 2.3446428359707383 +""", +) + +entry( + index = 6966, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_N-6R!H->S", + kinetics = ArrheniusBM(A=(7.99375e-10,'m^3/(mol*s)'), n=4.90519, w0=(421.5,'kJ/mol'), E0=(29.774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07295727717144605, var=4.635447973110478, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_N-6R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_N-6R!H->S + Total Standard Deviation in ln(k): 4.499522507854717"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_N-6R!H->S +Total Standard Deviation in ln(k): 4.499522507854717""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_Ext-1CNO-R_N-6R!H->S +Total Standard Deviation in ln(k): 4.499522507854717 +""", +) + +entry( + index = 6967, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.31488e-08,'m^3/(mol*s)'), n=4.69575, w0=(421.5,'kJ/mol'), E0=(36.866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04724672232428331, var=0.34407869133570423, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_6R!H->C + Total Standard Deviation in ln(k): 1.2946522936011846"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_6R!H->C +Total Standard Deviation in ln(k): 1.2946522936011846""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_6R!H->C +Total Standard Deviation in ln(k): 1.2946522936011846 +""", +) + +entry( + index = 6968, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(3.49777e-09,'m^3/(mol*s)'), n=4.82502, w0=(421.5,'kJ/mol'), E0=(35.1778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06264676701193149, var=0.9005956205996494, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_N-6R!H->C + Total Standard Deviation in ln(k): 2.0598918437405587"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.0598918437405587""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_Ext-4BrCFNOS-R_N-4BrCFNOS->S_N-1CNO-inRing_N-3BrHINO->O_Ext-1CNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 2.0598918437405587 +""", +) + +entry( + index = 6969, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I", + kinetics = ArrheniusBM(A=(5.60748e+19,'m^3/(mol*s)'), n=-3.34451, w0=(365,'kJ/mol'), E0=(61.4204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-10.757886379812424, var=170.1519995216583, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I + Total Standard Deviation in ln(k): 53.18009557324189"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I +Total Standard Deviation in ln(k): 53.18009557324189""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I +Total Standard Deviation in ln(k): 53.18009557324189 +""", +) + +entry( + index = 6970, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_1CNO->C", + kinetics = ArrheniusBM(A=(4.40503e+13,'m^3/(mol*s)'), n=-1.5815, w0=(353,'kJ/mol'), E0=(26.6183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6971, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_N-1CNO->C", + kinetics = ArrheniusBM(A=(2.1499e-06,'m^3/(mol*s)'), n=3.59, w0=(377,'kJ/mol'), E0=(32.3252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_3BrHINO->I_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6972, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I", + kinetics = ArrheniusBM(A=(0.108897,'m^3/(mol*s)'), n=2.31779, w0=(429.02,'kJ/mol'), E0=(27.6473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1291682371253463, var=4.720395321744006, Tref=1000.0, N=253, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I',), comment="""BM rule fitted to 253 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I + Total Standard Deviation in ln(k): 4.68012511567243"""), + rank = 11, + shortDesc = """BM rule fitted to 253 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I +Total Standard Deviation in ln(k): 4.68012511567243""", + longDesc = +""" +BM rule fitted to 253 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I +Total Standard Deviation in ln(k): 4.68012511567243 +""", +) + +entry( + index = 6973, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O", + kinetics = ArrheniusBM(A=(0.147045,'m^3/(mol*s)'), n=2.24557, w0=(435.718,'kJ/mol'), E0=(30.8888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11852201899613973, var=2.5539251217561083, Tref=1000.0, N=55, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O',), comment="""BM rule fitted to 55 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O + Total Standard Deviation in ln(k): 3.501562092972197"""), + rank = 11, + shortDesc = """BM rule fitted to 55 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O +Total Standard Deviation in ln(k): 3.501562092972197""", + longDesc = +""" +BM rule fitted to 55 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O +Total Standard Deviation in ln(k): 3.501562092972197 +""", +) + +entry( + index = 6974, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0", + kinetics = ArrheniusBM(A=(0.0304105,'m^3/(mol*s)'), n=2.50101, w0=(432.966,'kJ/mol'), E0=(31.9736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12553641610048855, var=2.6109064404647926, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0 + Total Standard Deviation in ln(k): 3.5547291189308896"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0 +Total Standard Deviation in ln(k): 3.5547291189308896""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0 +Total Standard Deviation in ln(k): 3.5547291189308896 +""", +) + +entry( + index = 6975, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br", + kinetics = ArrheniusBM(A=(1.30849e+11,'m^3/(mol*s)'), n=-0.978076, w0=(394.5,'kJ/mol'), E0=(46.0609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04730671687183301, var=19.12108936254033, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br + Total Standard Deviation in ln(k): 8.885100058320807"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br +Total Standard Deviation in ln(k): 8.885100058320807""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br +Total Standard Deviation in ln(k): 8.885100058320807 +""", +) + +entry( + index = 6976, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(2.5e+07,'m^3/(mol*s)'), n=1.46116e-08, w0=(386.5,'kJ/mol'), E0=(39.7392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6977, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_1CNO->C", + kinetics = ArrheniusBM(A=(4.98158e+07,'m^3/(mol*s)'), n=0.0816077, w0=(386.5,'kJ/mol'), E0=(-16.4223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6978, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_N-1CNO->C", + kinetics = ArrheniusBM(A=(0.0313817,'m^3/(mol*s)'), n=2.6452, w0=(410.5,'kJ/mol'), E0=(32.241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_3BrHNO->Br_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6979, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br", + kinetics = ArrheniusBM(A=(0.0304164,'m^3/(mol*s)'), n=2.50097, w0=(435.78,'kJ/mol'), E0=(31.9779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12561884671646534, var=2.6101146453291064, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br + Total Standard Deviation in ln(k): 3.5544450098348244"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br +Total Standard Deviation in ln(k): 3.5544450098348244""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br +Total Standard Deviation in ln(k): 3.5544450098348244 +""", +) + +entry( + index = 6980, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O", + kinetics = ArrheniusBM(A=(1.78415,'m^3/(mol*s)'), n=2.00007, w0=(444.117,'kJ/mol'), E0=(37.2687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20510363860220113, var=3.580908098558419, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O + Total Standard Deviation in ln(k): 4.30895359872405"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O +Total Standard Deviation in ln(k): 4.30895359872405""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O +Total Standard Deviation in ln(k): 4.30895359872405 +""", +) + +entry( + index = 6981, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1", + kinetics = ArrheniusBM(A=(4.85696,'m^3/(mol*s)'), n=1.88065, w0=(446.481,'kJ/mol'), E0=(43.9584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04391822312871922, var=3.663856941869473, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1 + Total Standard Deviation in ln(k): 3.947651621471836"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 3.947651621471836""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 3.947651621471836 +""", +) + +entry( + index = 6982, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(28.3518,'m^3/(mol*s)'), n=1.60539, w0=(432.917,'kJ/mol'), E0=(40.7763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3551170024652206, var=2.1819878700562163, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R + Total Standard Deviation in ln(k): 6.366121694671716"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.366121694671716""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R +Total Standard Deviation in ln(k): 6.366121694671716 +""", +) + +entry( + index = 6983, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_1CNO->N", + kinetics = ArrheniusBM(A=(26.3643,'m^3/(mol*s)'), n=1.61555, w0=(422.5,'kJ/mol'), E0=(46.0581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_1CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_1CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6984, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N", + kinetics = ArrheniusBM(A=(2.21748e+07,'m^3/(mol*s)'), n=-0.142555, w0=(435,'kJ/mol'), E0=(53.232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06642459663485704, var=3.227365290215084, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N + Total Standard Deviation in ln(k): 3.768376336404719"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N +Total Standard Deviation in ln(k): 3.768376336404719""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N +Total Standard Deviation in ln(k): 3.768376336404719 +""", +) + +entry( + index = 6985, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(3.65887e-07,'m^3/(mol*s)'), n=3.68545, w0=(435,'kJ/mol'), E0=(-1.56841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37362295481490415, var=5.485664899004773, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R + Total Standard Deviation in ln(k): 5.63414066666714"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 5.63414066666714""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 5.63414066666714 +""", +) + +entry( + index = 6986, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.88134e-08,'m^3/(mol*s)'), n=3.80211, w0=(435,'kJ/mol'), E0=(14.7886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-1CNO-R_N-1CNO->N_Ext-3O-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6987, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N", + kinetics = ArrheniusBM(A=(4.96541,'m^3/(mol*s)'), n=1.97979, w0=(422.5,'kJ/mol'), E0=(46.1757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.45938131939581467, var=0.7079104855266155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N + Total Standard Deviation in ln(k): 2.8409567223778254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N +Total Standard Deviation in ln(k): 2.8409567223778254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N +Total Standard Deviation in ln(k): 2.8409567223778254 +""", +) + +entry( + index = 6988, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.029,'m^3/(mol*s)'), n=2.69, w0=(422.5,'kJ/mol'), E0=(44.7815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6989, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N", + kinetics = ArrheniusBM(A=(58210.4,'m^3/(mol*s)'), n=0.567691, w0=(435,'kJ/mol'), E0=(40.4594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5224439577275888, var=0.9622504805478498, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N + Total Standard Deviation in ln(k): 3.2792054415844705"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N +Total Standard Deviation in ln(k): 3.2792054415844705""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N +Total Standard Deviation in ln(k): 3.2792054415844705 +""", +) + +entry( + index = 6990, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.39538e+06,'m^3/(mol*s)'), n=0.201443, w0=(435,'kJ/mol'), E0=(56.7349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8041104870210671, var=21.171725035711134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R + Total Standard Deviation in ln(k): 13.75727687981629"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 13.75727687981629""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 13.75727687981629 +""", +) + +entry( + index = 6991, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(1.16667e-10,'m^3/(mol*s)'), n=4.85, w0=(435,'kJ/mol'), E0=(16.0189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6992, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(4.28721e+06,'m^3/(mol*s)'), n=0.0197128, w0=(435,'kJ/mol'), E0=(44.4292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_N-1CNO->N_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6993, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(5.43657e-21,'m^3/(mol*s)'), n=8.02712, w0=(459,'kJ/mol'), E0=(-7.72617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.686558350124457, var=51.97662112046177, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 23.7158095446201"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 23.7158095446201""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 23.7158095446201 +""", +) + +entry( + index = 6994, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O", + kinetics = ArrheniusBM(A=(0.0117207,'m^3/(mol*s)'), n=2.80407, w0=(459,'kJ/mol'), E0=(43.6898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8184431594012977, var=6.223862419204303, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O + Total Standard Deviation in ln(k): 9.570299590666188"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O +Total Standard Deviation in ln(k): 9.570299590666188""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O +Total Standard Deviation in ln(k): 9.570299590666188 +""", +) + +entry( + index = 6995, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R", + kinetics = ArrheniusBM(A=(0.0126212,'m^3/(mol*s)'), n=2.79684, w0=(459,'kJ/mol'), E0=(43.7909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7565797744910063, var=5.521193268419439, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R + Total Standard Deviation in ln(k): 9.124087047759385"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R +Total Standard Deviation in ln(k): 9.124087047759385""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->O_Ext-5O-R +Total Standard Deviation in ln(k): 9.124087047759385 +""", +) + +entry( + index = 6996, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O", + kinetics = ArrheniusBM(A=(11.9931,'m^3/(mol*s)'), n=1.76037, w0=(459,'kJ/mol'), E0=(87.5473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.036826392121588, var=20.52683805763069, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O + Total Standard Deviation in ln(k): 11.687855175987227"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O +Total Standard Deviation in ln(k): 11.687855175987227""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O +Total Standard Deviation in ln(k): 11.687855175987227 +""", +) + +entry( + index = 6997, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R", + kinetics = ArrheniusBM(A=(4.137e+09,'m^3/(mol*s)'), n=-1.13183, w0=(459,'kJ/mol'), E0=(111.127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3455311555997483, var=58.24867872347759, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R + Total Standard Deviation in ln(k): 16.168471634649045"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R +Total Standard Deviation in ln(k): 16.168471634649045""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R +Total Standard Deviation in ln(k): 16.168471634649045 +""", +) + +entry( + index = 6998, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_Sp-6R!H-5BrCClN", + kinetics = ArrheniusBM(A=(6.55882e+07,'m^3/(mol*s)'), n=-0.596163, w0=(459,'kJ/mol'), E0=(55.4369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_Sp-6R!H-5BrCClN',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_Sp-6R!H-5BrCClN + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_Sp-6R!H-5BrCClN +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_Sp-6R!H-5BrCClN +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6999, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN", + kinetics = ArrheniusBM(A=(0.00281194,'m^3/(mol*s)'), n=2.34449, w0=(459,'kJ/mol'), E0=(104.743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9184886661672425, var=28.5082769718662, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN + Total Standard Deviation in ln(k): 13.01167109246243"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN +Total Standard Deviation in ln(k): 13.01167109246243""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN +Total Standard Deviation in ln(k): 13.01167109246243 +""", +) + +entry( + index = 7000, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000836766,'m^3/(mol*s)'), n=2.49531, w0=(459,'kJ/mol'), E0=(95.1229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.623129054690229, var=39.75775257612704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R + Total Standard Deviation in ln(k): 16.718819934909693"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.718819934909693""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R +Total Standard Deviation in ln(k): 16.718819934909693 +""", +) + +entry( + index = 7001, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.495e-08,'m^3/(mol*s)'), n=3.75, w0=(459,'kJ/mol'), E0=(71.5406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_Ext-5BrCClN-R_N-Sp-6R!H-5BrCClN_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7002, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_5BrCClN->N", + kinetics = ArrheniusBM(A=(0.000909104,'m^3/(mol*s)'), n=2.99709, w0=(459,'kJ/mol'), E0=(82.682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_5BrCClN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_5BrCClN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_5BrCClN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_5BrCClN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7003, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N", + kinetics = ArrheniusBM(A=(37.9536,'m^3/(mol*s)'), n=1.59902, w0=(459,'kJ/mol'), E0=(40.7278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5980975051084059, var=11.490798414338965, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N + Total Standard Deviation in ln(k): 10.810987408476638"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N +Total Standard Deviation in ln(k): 10.810987408476638""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N +Total Standard Deviation in ln(k): 10.810987408476638 +""", +) + +entry( + index = 7004, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_5BrCCl->C", + kinetics = ArrheniusBM(A=(0.00084462,'m^3/(mol*s)'), n=2.95674, w0=(459,'kJ/mol'), E0=(10.4249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_5BrCCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_5BrCCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_5BrCCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_5BrCCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7005, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C", + kinetics = ArrheniusBM(A=(1.42248e-06,'m^3/(mol*s)'), n=3.56441, w0=(459,'kJ/mol'), E0=(24.6915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7705902449559746, var=1.6041701493388085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C + Total Standard Deviation in ln(k): 4.475270421661145"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C +Total Standard Deviation in ln(k): 4.475270421661145""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C +Total Standard Deviation in ln(k): 4.475270421661145 +""", +) + +entry( + index = 7006, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_5BrCl->Br", + kinetics = ArrheniusBM(A=(1.86364e-05,'m^3/(mol*s)'), n=3.30437, w0=(459,'kJ/mol'), E0=(24.9491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_5BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_5BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7007, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_N-5BrCl->Br", + kinetics = ArrheniusBM(A=(4.3205e-08,'m^3/(mol*s)'), n=3.99429, w0=(459,'kJ/mol'), E0=(20.4957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_N-5BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_N-5BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_N-5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->O_N-5BrCClN->N_N-5BrCCl->C_N-5BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7008, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(1.53558e+11,'m^3/(mol*s)'), n=-1.74831, w0=(459,'kJ/mol'), E0=(39.2273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7009, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(0.0107663,'m^3/(mol*s)'), n=2.62737, w0=(428.75,'kJ/mol'), E0=(16.6159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.2300862069457303, var=6.998580012730342, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1 + Total Standard Deviation in ln(k): 10.906724132400885"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 10.906724132400885""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 10.906724132400885 +""", +) + +entry( + index = 7010, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.0165462,'m^3/(mol*s)'), n=2.64957, w0=(428.75,'kJ/mol'), E0=(11.928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10009235369492211, var=6.291638460761761, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R + Total Standard Deviation in ln(k): 5.279993122304516"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R +Total Standard Deviation in ln(k): 5.279993122304516""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R +Total Standard Deviation in ln(k): 5.279993122304516 +""", +) + +entry( + index = 7011, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_1CNO->N", + kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(422.5,'kJ/mol'), E0=(54.0654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_1CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_1CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7012, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_N-1CNO->N", + kinetics = ArrheniusBM(A=(0.075,'m^3/(mol*s)'), n=2.47, w0=(435,'kJ/mol'), E0=(14.9783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_N-1CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_N-1CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_N-1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_Ext-1CNO-R_N-1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7013, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_1CNO->N", + kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(422.5,'kJ/mol'), E0=(84.7883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_1CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_1CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7014, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_N-1CNO->N", + kinetics = ArrheniusBM(A=(7e+06,'m^3/(mol*s)'), n=-2.3078e-08, w0=(435,'kJ/mol'), E0=(33.5856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_N-1CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_N-1CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_N-1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_3HNO->O_N-3O-u1_N-1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7015, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O", + kinetics = ArrheniusBM(A=(0.000552527,'m^3/(mol*s)'), n=2.99105, w0=(413.045,'kJ/mol'), E0=(26.335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012566832428999803, var=2.1588377437706088, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O + Total Standard Deviation in ln(k): 2.977128967151702"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O +Total Standard Deviation in ln(k): 2.977128967151702""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O +Total Standard Deviation in ln(k): 2.977128967151702 +""", +) + +entry( + index = 7016, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N", + kinetics = ArrheniusBM(A=(0.000846255,'m^3/(mol*s)'), n=2.87097, w0=(407.9,'kJ/mol'), E0=(20.2653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2390785668082916, var=8.155067882190009, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N + Total Standard Deviation in ln(k): 6.3256378100223545"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N +Total Standard Deviation in ln(k): 6.3256378100223545""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N +Total Standard Deviation in ln(k): 6.3256378100223545 +""", +) + +entry( + index = 7017, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(386,'kJ/mol'), E0=(48.024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7018, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_1CNO->N", + kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(386,'kJ/mol'), E0=(48.6277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_1CNO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_1CNO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_1CNO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7019, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N", + kinetics = ArrheniusBM(A=(23.9636,'m^3/(mol*s)'), n=1.71506, w0=(422.5,'kJ/mol'), E0=(37.8209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15630573458092262, var=26.273679276926963, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N + Total Standard Deviation in ln(k): 10.668570414206657"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N +Total Standard Deviation in ln(k): 10.668570414206657""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N +Total Standard Deviation in ln(k): 10.668570414206657 +""", +) + +entry( + index = 7020, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0354554,'m^3/(mol*s)'), n=2.39111, w0=(422.5,'kJ/mol'), E0=(45.192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7021, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_5R!H->N", + kinetics = ArrheniusBM(A=(27.6825,'m^3/(mol*s)'), n=1.75124, w0=(422.5,'kJ/mol'), E0=(-2.13711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7022, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_N-5R!H->N", + kinetics = ArrheniusBM(A=(0.0401102,'m^3/(mol*s)'), n=2.59112, w0=(422.5,'kJ/mol'), E0=(45.1291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_N-5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_N-5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_N-5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_3HN->N_N-1CNO->N_Ext-3N-R_N-5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7023, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N", + kinetics = ArrheniusBM(A=(0.00109059,'m^3/(mol*s)'), n=2.95676, w0=(417.333,'kJ/mol'), E0=(31.5472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2810867708629666, var=0.30466888876464593, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N + Total Standard Deviation in ln(k): 1.8127981709789507"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N +Total Standard Deviation in ln(k): 1.8127981709789507""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N +Total Standard Deviation in ln(k): 1.8127981709789507 +""", +) + +entry( + index = 7024, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N", + kinetics = ArrheniusBM(A=(1.16029e-05,'m^3/(mol*s)'), n=3.60793, w0=(409,'kJ/mol'), E0=(30.0627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9265454832503106, var=3.636893863103968, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N + Total Standard Deviation in ln(k): 6.15116222343799"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N +Total Standard Deviation in ln(k): 6.15116222343799""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N +Total Standard Deviation in ln(k): 6.15116222343799 +""", +) + +entry( + index = 7025, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N_Ext-1N-R", + kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(409,'kJ/mol'), E0=(66.3974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N_Ext-1N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N_Ext-1N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_1CNO->N_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7026, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N", + kinetics = ArrheniusBM(A=(0.00347268,'m^3/(mol*s)'), n=2.71542, w0=(421.5,'kJ/mol'), E0=(26.9735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5119526626901028, var=5.423650928367651, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N + Total Standard Deviation in ln(k): 8.467650067052862"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N +Total Standard Deviation in ln(k): 8.467650067052862""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N +Total Standard Deviation in ln(k): 8.467650067052862 +""", +) + +entry( + index = 7027, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0048165,'m^3/(mol*s)'), n=2.67043, w0=(421.5,'kJ/mol'), E0=(27.3104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.109160882310009, var=9.334083640273388, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R + Total Standard Deviation in ln(k): 11.424212200884423"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R +Total Standard Deviation in ln(k): 11.424212200884423""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R +Total Standard Deviation in ln(k): 11.424212200884423 +""", +) + +entry( + index = 7028, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.414,'m^3/(mol*s)'), n=2.34, w0=(421.5,'kJ/mol'), E0=(27.3894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_4O-u0_N-3BrHNO->Br_N-3HNO->O_N-3HN->N_N-1CNO->N_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7029, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0", + kinetics = ArrheniusBM(A=(8.94829e+06,'m^3/(mol*s)'), n=-0.462729, w0=(446.727,'kJ/mol'), E0=(41.5898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.434052359439305, var=5.382033518777454, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0 + Total Standard Deviation in ln(k): 10.766536482651478"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0 +Total Standard Deviation in ln(k): 10.766536482651478""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0 +Total Standard Deviation in ln(k): 10.766536482651478 +""", +) + +entry( + index = 7030, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O", + kinetics = ArrheniusBM(A=(2.30518e+08,'m^3/(mol*s)'), n=-0.939498, w0=(459,'kJ/mol'), E0=(34.8857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05785940971180315, var=0.6527597360402866, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O + Total Standard Deviation in ln(k): 1.7650719935955672"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O +Total Standard Deviation in ln(k): 1.7650719935955672""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O +Total Standard Deviation in ln(k): 1.7650719935955672 +""", +) + +entry( + index = 7031, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(2.31651e+08,'m^3/(mol*s)'), n=-0.940119, w0=(459,'kJ/mol'), E0=(19.8037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09453839304963092, var=1.6679060143938533, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R + Total Standard Deviation in ln(k): 2.826597595605053"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R +Total Standard Deviation in ln(k): 2.826597595605053""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R +Total Standard Deviation in ln(k): 2.826597595605053 +""", +) + +entry( + index = 7032, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_5R!H->Cl", + kinetics = ArrheniusBM(A=(0.0078,'m^3/(mol*s)'), n=2.4, w0=(459,'kJ/mol'), E0=(88.932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_5R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_5R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7033, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(2.33718e+08,'m^3/(mol*s)'), n=-0.941293, w0=(459,'kJ/mol'), E0=(7.58526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1551865041839551, var=1.226823886858606, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl + Total Standard Deviation in ln(k): 2.610402155358901"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.610402155358901""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.610402155358901 +""", +) + +entry( + index = 7034, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_5BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.77722e+08,'m^3/(mol*s)'), n=-0.481785, w0=(459,'kJ/mol'), E0=(47.3396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_5BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_5BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7035, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(121081,'m^3/(mol*s)'), n=-4.21753e-06, w0=(459,'kJ/mol'), E0=(-8.09357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11358313766730813, var=0.9140632025169607, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 2.2020448694004813"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 2.2020448694004813""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 2.2020448694004813 +""", +) + +entry( + index = 7036, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R", + kinetics = ArrheniusBM(A=(2.4486e+08,'m^3/(mol*s)'), n=-0.94724, w0=(459,'kJ/mol'), E0=(37.7831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0901770277013738, var=2.5718861524990952, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R + Total Standard Deviation in ln(k): 5.954152194285204"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R +Total Standard Deviation in ln(k): 5.954152194285204""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R +Total Standard Deviation in ln(k): 5.954152194285204 +""", +) + +entry( + index = 7037, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.4621e+08,'m^3/(mol*s)'), n=-0.94897, w0=(459,'kJ/mol'), E0=(43.4844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_Ext-5CO-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7038, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CO->C", + kinetics = ArrheniusBM(A=(140000,'m^3/(mol*s)'), n=7.39258e-09, w0=(459,'kJ/mol'), E0=(54.955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7039, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CO->C", + kinetics = ArrheniusBM(A=(6.39307e+09,'m^3/(mol*s)'), n=-1.59378, w0=(459,'kJ/mol'), E0=(25.5894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_3BrHNO->O_Ext-3O-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7040, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O", + kinetics = ArrheniusBM(A=(2.01369e+18,'m^3/(mol*s)'), n=-3.30284, w0=(425.25,'kJ/mol'), E0=(91.095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.024981630763979, var=63.9679774995696, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O + Total Standard Deviation in ln(k): 31.172012628685756"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O +Total Standard Deviation in ln(k): 31.172012628685756""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O +Total Standard Deviation in ln(k): 31.172012628685756 +""", +) + +entry( + index = 7041, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_3BrHN->Br", + kinetics = ArrheniusBM(A=(8690,'m^3/(mol*s)'), n=1, w0=(410.5,'kJ/mol'), E0=(46.2444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_3BrHN->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_3BrHN->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_3BrHN->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_3BrHN->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7042, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_N-3BrHN->Br", + kinetics = ArrheniusBM(A=(603938,'m^3/(mol*s)'), n=0.542118, w0=(445.5,'kJ/mol'), E0=(71.7906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_N-3BrHN->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_N-3BrHN->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_N-3BrHN->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_N-3BrHN->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7043, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_5R!H->C", + kinetics = ArrheniusBM(A=(7.0307e+20,'m^3/(mol*s)'), n=-4.23748, w0=(422.5,'kJ/mol'), E0=(4.225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7044, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(8.20497e+06,'m^3/(mol*s)'), n=-0.0171447, w0=(422.5,'kJ/mol'), E0=(67.4693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_4BrCFNOS->O_N-4O-u0_N-3BrHNO->O_Ext-3BrHN-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7045, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O", + kinetics = ArrheniusBM(A=(0.338144,'m^3/(mol*s)'), n=2.20695, w0=(427.159,'kJ/mol'), E0=(28.1302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27080734680574897, var=7.455964251013944, Tref=1000.0, N=198, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O',), comment="""BM rule fitted to 198 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O + Total Standard Deviation in ln(k): 6.154472208705844"""), + rank = 11, + shortDesc = """BM rule fitted to 198 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O +Total Standard Deviation in ln(k): 6.154472208705844""", + longDesc = +""" +BM rule fitted to 198 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O +Total Standard Deviation in ln(k): 6.154472208705844 +""", +) + +entry( + index = 7046, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0", + kinetics = ArrheniusBM(A=(0.192425,'m^3/(mol*s)'), n=2.27594, w0=(427.579,'kJ/mol'), E0=(26.5622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26002193455787126, var=7.30919075876372, Tref=1000.0, N=196, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0',), comment="""BM rule fitted to 196 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0 + Total Standard Deviation in ln(k): 6.0732259861151565"""), + rank = 11, + shortDesc = """BM rule fitted to 196 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0 +Total Standard Deviation in ln(k): 6.0732259861151565""", + longDesc = +""" +BM rule fitted to 196 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0 +Total Standard Deviation in ln(k): 6.0732259861151565 +""", +) + +entry( + index = 7047, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C", + kinetics = ArrheniusBM(A=(1998.39,'m^3/(mol*s)'), n=1.10412, w0=(429.159,'kJ/mol'), E0=(35.2774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13641113295486332, var=4.661104404481172, Tref=1000.0, N=107, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C',), comment="""BM rule fitted to 107 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C + Total Standard Deviation in ln(k): 4.670882582699294"""), + rank = 11, + shortDesc = """BM rule fitted to 107 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C +Total Standard Deviation in ln(k): 4.670882582699294""", + longDesc = +""" +BM rule fitted to 107 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C +Total Standard Deviation in ln(k): 4.670882582699294 +""", +) + +entry( + index = 7048, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C", + kinetics = ArrheniusBM(A=(11221.8,'m^3/(mol*s)'), n=0.90376, w0=(426.989,'kJ/mol'), E0=(36.4779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03124234945902538, var=2.734126319926725, Tref=1000.0, N=90, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C',), comment="""BM rule fitted to 90 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C + Total Standard Deviation in ln(k): 3.3933666555218984"""), + rank = 11, + shortDesc = """BM rule fitted to 90 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C +Total Standard Deviation in ln(k): 3.3933666555218984""", + longDesc = +""" +BM rule fitted to 90 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C +Total Standard Deviation in ln(k): 3.3933666555218984 +""", +) + +entry( + index = 7049, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br", + kinetics = ArrheniusBM(A=(7.76109e+20,'m^3/(mol*s)'), n=-3.64653, w0=(386.5,'kJ/mol'), E0=(42.3535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23763903734255765, var=17.433133723451803, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br + Total Standard Deviation in ln(k): 8.967454249327686"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br +Total Standard Deviation in ln(k): 8.967454249327686""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br +Total Standard Deviation in ln(k): 8.967454249327686 +""", +) + +entry( + index = 7050, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.78203e+14,'m^3/(mol*s)'), n=-2.03207, w0=(386.5,'kJ/mol'), E0=(19.4644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.26010018916306576, var=6.365345165954236, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R + Total Standard Deviation in ln(k): 5.711391627179074"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R +Total Standard Deviation in ln(k): 5.711391627179074""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R +Total Standard Deviation in ln(k): 5.711391627179074 +""", +) + +entry( + index = 7051, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_5R!H->C", + kinetics = ArrheniusBM(A=(5.68214e+11,'m^3/(mol*s)'), n=-1.24097, w0=(386.5,'kJ/mol'), E0=(1.73463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7052, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.26932e+09,'m^3/(mol*s)'), n=-0.633141, w0=(386.5,'kJ/mol'), E0=(0.882808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_3BrHNO->Br_Ext-1C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7053, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br", + kinetics = ArrheniusBM(A=(11245.8,'m^3/(mol*s)'), n=0.903467, w0=(428.385,'kJ/mol'), E0=(36.4882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03144317576372113, var=2.729435141803116, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br',), comment="""BM rule fitted to 87 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br + Total Standard Deviation in ln(k): 3.391026219545013"""), + rank = 11, + shortDesc = """BM rule fitted to 87 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br +Total Standard Deviation in ln(k): 3.391026219545013""", + longDesc = +""" +BM rule fitted to 87 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br +Total Standard Deviation in ln(k): 3.391026219545013 +""", +) + +entry( + index = 7054, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.53287e+06,'m^3/(mol*s)'), n=0.209066, w0=(428.352,'kJ/mol'), E0=(34.3366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41054006582443897, var=4.028694235173044, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R + Total Standard Deviation in ln(k): 5.055333244011315"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R +Total Standard Deviation in ln(k): 5.055333244011315""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R +Total Standard Deviation in ln(k): 5.055333244011315 +""", +) + +entry( + index = 7055, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(4358.05,'m^3/(mol*s)'), n=1.02218, w0=(426.725,'kJ/mol'), E0=(40.972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1250824192345704, var=4.183883283416462, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C + Total Standard Deviation in ln(k): 4.414871414792647"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 4.414871414792647""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 4.414871414792647 +""", +) + +entry( + index = 7056, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.97776,'m^3/(mol*s)'), n=1.91893, w0=(427.294,'kJ/mol'), E0=(29.3885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20314536375145165, var=5.00702082512596, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C + Total Standard Deviation in ln(k): 4.996285534773417"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 4.996285534773417""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 4.996285534773417 +""", +) + +entry( + index = 7057, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O", + kinetics = ArrheniusBM(A=(19.2343,'m^3/(mol*s)'), n=1.75476, w0=(435,'kJ/mol'), E0=(33.813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10575431082633736, var=10.150743267543886, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O + Total Standard Deviation in ln(k): 6.652846637989639"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O +Total Standard Deviation in ln(k): 6.652846637989639""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O +Total Standard Deviation in ln(k): 6.652846637989639 +""", +) + +entry( + index = 7058, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1", + kinetics = ArrheniusBM(A=(2.17938e+10,'m^3/(mol*s)'), n=-0.924378, w0=(435,'kJ/mol'), E0=(65.1994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23995200838078093, var=6.179757722029391, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 + Total Standard Deviation in ln(k): 5.586489176834692"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 5.586489176834692""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 5.586489176834692 +""", +) + +entry( + index = 7059, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.68145e+06,'m^3/(mol*s)'), n=0.330172, w0=(435,'kJ/mol'), E0=(58.786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6510301978190093, var=36.39744564286442, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R + Total Standard Deviation in ln(k): 13.730380242951442"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R +Total Standard Deviation in ln(k): 13.730380242951442""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R +Total Standard Deviation in ln(k): 13.730380242951442 +""", +) + +entry( + index = 7060, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R", + kinetics = ArrheniusBM(A=(490233,'m^3/(mol*s)'), n=0.305881, w0=(435,'kJ/mol'), E0=(64.174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1365174982721373, var=40.84536780111035, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R + Total Standard Deviation in ln(k): 18.180472647289783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R +Total Standard Deviation in ln(k): 18.180472647289783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R +Total Standard Deviation in ln(k): 18.180472647289783 +""", +) + +entry( + index = 7061, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_7R!H-u0", + kinetics = ArrheniusBM(A=(2.45498e-10,'m^3/(mol*s)'), n=4.68112, w0=(435,'kJ/mol'), E0=(21.0808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7062, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_N-7R!H-u0", + kinetics = ArrheniusBM(A=(3.86151e+07,'m^3/(mol*s)'), n=-0.132998, w0=(435,'kJ/mol'), E0=(55.1431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_N-7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_N-7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-1C-R_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7063, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_5FNOS->N", + kinetics = ArrheniusBM(A=(23898,'m^3/(mol*s)'), n=0.76058, w0=(435,'kJ/mol'), E0=(16.0035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_5FNOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_5FNOS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_5FNOS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_5FNOS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7064, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N", + kinetics = ArrheniusBM(A=(4.68169e+09,'m^3/(mol*s)'), n=-0.781366, w0=(435,'kJ/mol'), E0=(68.0753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4942889277795138, var=31.693695247510856, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N + Total Standard Deviation in ln(k): 12.528019875187162"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N +Total Standard Deviation in ln(k): 12.528019875187162""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N +Total Standard Deviation in ln(k): 12.528019875187162 +""", +) + +entry( + index = 7065, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.68835e+08,'m^3/(mol*s)'), n=-0.550905, w0=(435,'kJ/mol'), E0=(70.071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.2301146786718586, var=68.63125310442946, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R + Total Standard Deviation in ln(k): 24.72388964121708"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R +Total Standard Deviation in ln(k): 24.72388964121708""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R +Total Standard Deviation in ln(k): 24.72388964121708 +""", +) + +entry( + index = 7066, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(1.13485e-10,'m^3/(mol*s)'), n=4.63373, w0=(435,'kJ/mol'), E0=(20.5104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7067, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(2.8772e+07,'m^3/(mol*s)'), n=-0.0606566, w0=(435,'kJ/mol'), E0=(53.2773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_N-5FNOS->N_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7068, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(0.0662963,'m^3/(mol*s)'), n=2.74594, w0=(435,'kJ/mol'), E0=(21.3908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.039571568197661715, var=3.818011482206566, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 + Total Standard Deviation in ln(k): 4.016624775824378"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 4.016624775824378""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 4.016624775824378 +""", +) + +entry( + index = 7069, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000240606,'m^3/(mol*s)'), n=3.47429, w0=(435,'kJ/mol'), E0=(22.4814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7070, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O", + kinetics = ArrheniusBM(A=(0.000451962,'m^3/(mol*s)'), n=3.01169, w0=(418.625,'kJ/mol'), E0=(0.602789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12996956279910957, var=0.582363194062221, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O + Total Standard Deviation in ln(k): 1.856424649644894"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O +Total Standard Deviation in ln(k): 1.856424649644894""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O +Total Standard Deviation in ln(k): 1.856424649644894 +""", +) + +entry( + index = 7071, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S", + kinetics = ArrheniusBM(A=(5.64837e-07,'m^3/(mol*s)'), n=4.17693, w0=(421.5,'kJ/mol'), E0=(27.5493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08770105356342568, var=1.6331574195861425, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S + Total Standard Deviation in ln(k): 2.7823065527225284"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S +Total Standard Deviation in ln(k): 2.7823065527225284""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S +Total Standard Deviation in ln(k): 2.7823065527225284 +""", +) + +entry( + index = 7072, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.05624e-07,'m^3/(mol*s)'), n=4.32159, w0=(421.5,'kJ/mol'), E0=(21.1442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09552911614940025, var=3.914884988817795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S_Ext-1C-R + Total Standard Deviation in ln(k): 4.206605421925406"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.206605421925406""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->S_Ext-1C-R +Total Standard Deviation in ln(k): 4.206605421925406 +""", +) + +entry( + index = 7073, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S", + kinetics = ArrheniusBM(A=(0.0010745,'m^3/(mol*s)'), n=2.88864, w0=(415.75,'kJ/mol'), E0=(6.56593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12852613192419943, var=0.6174714732781241, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S + Total Standard Deviation in ln(k): 1.89823783478785"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S +Total Standard Deviation in ln(k): 1.89823783478785""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S +Total Standard Deviation in ln(k): 1.89823783478785 +""", +) + +entry( + index = 7074, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_3HN->N", + kinetics = ArrheniusBM(A=(4.005e+06,'m^3/(mol*s)'), n=3.48575e-08, w0=(398.5,'kJ/mol'), E0=(45.8226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_3HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_3HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_3HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_3HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7075, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N", + kinetics = ArrheniusBM(A=(0.000336652,'m^3/(mol*s)'), n=3.11518, w0=(421.5,'kJ/mol'), E0=(11.476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3316693592150066, var=0.1534850982459739, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N + Total Standard Deviation in ln(k): 1.6187386531143924"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N +Total Standard Deviation in ln(k): 1.6187386531143924""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N +Total Standard Deviation in ln(k): 1.6187386531143924 +""", +) + +entry( + index = 7076, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_5FN->N", + kinetics = ArrheniusBM(A=(5.8e+06,'m^3/(mol*s)'), n=-1.85225e-08, w0=(421.5,'kJ/mol'), E0=(36.6882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_5FN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_5FN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_5FN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_5FN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7077, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N", + kinetics = ArrheniusBM(A=(0.000265185,'m^3/(mol*s)'), n=3.37829, w0=(421.5,'kJ/mol'), E0=(25.5013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007870865877945428, var=0.03377776915754844, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N + Total Standard Deviation in ln(k): 0.3882208784628065"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N +Total Standard Deviation in ln(k): 0.3882208784628065""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N +Total Standard Deviation in ln(k): 0.3882208784628065 +""", +) + +entry( + index = 7078, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.000166618,'m^3/(mol*s)'), n=3.43624, w0=(421.5,'kJ/mol'), E0=(24.2936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->S_N-3HN->N_N-5FN->N_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7079, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R", + kinetics = ArrheniusBM(A=(302118,'m^3/(mol*s)'), n=0.547347, w0=(435,'kJ/mol'), E0=(41.3695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3225569030471047, var=27.482573665931866, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R + Total Standard Deviation in ln(k): 13.83259526424898"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R +Total Standard Deviation in ln(k): 13.83259526424898""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R +Total Standard Deviation in ln(k): 13.83259526424898 +""", +) + +entry( + index = 7080, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(1.25854e+09,'m^3/(mol*s)'), n=-0.646023, w0=(435,'kJ/mol'), E0=(34.857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5378678105719922, var=0.05345074980205257, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 1.8149097461229078"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 1.8149097461229078""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 1.8149097461229078 +""", +) + +entry( + index = 7081, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.97715e+09,'m^3/(mol*s)'), n=-0.817104, w0=(435,'kJ/mol'), E0=(35.3837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H-u0_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7082, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C", + kinetics = ArrheniusBM(A=(1.65689,'m^3/(mol*s)'), n=1.38068, w0=(435,'kJ/mol'), E0=(33.1491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19153330199395494, var=12.322240313469585, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C + Total Standard Deviation in ln(k): 7.5184707669410935"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C +Total Standard Deviation in ln(k): 7.5184707669410935""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C +Total Standard Deviation in ln(k): 7.5184707669410935 +""", +) + +entry( + index = 7083, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(3944.8,'m^3/(mol*s)'), n=0.210693, w0=(435,'kJ/mol'), E0=(39.6638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3403359389088643, var=25.109488550044173, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 10.900716385282902"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.900716385282902""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 10.900716385282902 +""", +) + +entry( + index = 7084, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.00531263,'m^3/(mol*s)'), n=2.91965, w0=(435,'kJ/mol'), E0=(3.45756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.830901262579478, var=21.743963376782915, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C + Total Standard Deviation in ln(k): 13.948418870095495"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 13.948418870095495""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C +Total Standard Deviation in ln(k): 13.948418870095495 +""", +) + +entry( + index = 7085, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.8e+06,'m^3/(mol*s)'), n=4.7284e-08, w0=(435,'kJ/mol'), E0=(42.8507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7086, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(0.0285652,'m^3/(mol*s)'), n=2.78237, w0=(435,'kJ/mol'), E0=(5.01705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1437553215118174, var=0.3798800477372323, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R + Total Standard Deviation in ln(k): 1.5968009091329747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R +Total Standard Deviation in ln(k): 1.5968009091329747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R +Total Standard Deviation in ln(k): 1.5968009091329747 +""", +) + +entry( + index = 7087, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0277502,'m^3/(mol*s)'), n=2.78973, w0=(435,'kJ/mol'), E0=(5.08924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_Ext-3HNO-R_N-6R!H->C_Ext-6BrClFINOPSSi-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7088, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1", + kinetics = ArrheniusBM(A=(36802.3,'m^3/(mol*s)'), n=0.688272, w0=(415,'kJ/mol'), E0=(46.631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1567342629179754, var=2.7044830348124638, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1 + Total Standard Deviation in ln(k): 3.6906541650203994"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1 +Total Standard Deviation in ln(k): 3.6906541650203994""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1 +Total Standard Deviation in ln(k): 3.6906541650203994 +""", +) + +entry( + index = 7089, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N", + kinetics = ArrheniusBM(A=(7.24892e-06,'m^3/(mol*s)'), n=3.73064, w0=(426,'kJ/mol'), E0=(18.3238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10793635820123101, var=1.5334597352680126, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N + Total Standard Deviation in ln(k): 2.7537192916478275"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N +Total Standard Deviation in ln(k): 2.7537192916478275""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N +Total Standard Deviation in ln(k): 2.7537192916478275 +""", +) + +entry( + index = 7090, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.25569e-05,'m^3/(mol*s)'), n=3.61889, w0=(426,'kJ/mol'), E0=(15.3436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2999734318208674, var=1.2829064860127106, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R + Total Standard Deviation in ln(k): 3.0243745353465137"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R +Total Standard Deviation in ln(k): 3.0243745353465137""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R +Total Standard Deviation in ln(k): 3.0243745353465137 +""", +) + +entry( + index = 7091, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_3HO->O", + kinetics = ArrheniusBM(A=(495.459,'m^3/(mol*s)'), n=1.19387, w0=(435,'kJ/mol'), E0=(16.5802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_3HO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_3HO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_3HO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_3HO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7092, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_N-3HO->O", + kinetics = ArrheniusBM(A=(1.35278e-06,'m^3/(mol*s)'), n=4.12979, w0=(421.5,'kJ/mol'), E0=(22.5046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2283233788203228, var=3.111548667782518, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_N-3HO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_N-3HO->O + Total Standard Deviation in ln(k): 4.109945787333072"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_N-3HO->O +Total Standard Deviation in ln(k): 4.109945787333072""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_Ext-1C-R_N-3HO->O +Total Standard Deviation in ln(k): 4.109945787333072 +""", +) + +entry( + index = 7093, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_3HO->O", + kinetics = ArrheniusBM(A=(37.813,'m^3/(mol*s)'), n=1.44862, w0=(435,'kJ/mol'), E0=(16.3971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_3HO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_3HO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_3HO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_3HO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7094, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_N-3HO->O", + kinetics = ArrheniusBM(A=(1.06811e-07,'m^3/(mol*s)'), n=4.38987, w0=(421.5,'kJ/mol'), E0=(26.916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12253922827388995, var=6.1696562470728145, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_N-3HO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_N-3HO->O + Total Standard Deviation in ln(k): 5.287407416529744"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_N-3HO->O +Total Standard Deviation in ln(k): 5.287407416529744""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_N-3HNO->N_N-3HO->O +Total Standard Deviation in ln(k): 5.287407416529744 +""", +) + +entry( + index = 7095, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_Ext-1C-R", + kinetics = ArrheniusBM(A=(51192.1,'m^3/(mol*s)'), n=0.655406, w0=(398.5,'kJ/mol'), E0=(45.0334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6252802414785917, var=16.041474353164205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_Ext-1C-R + Total Standard Deviation in ln(k): 9.600382602594278"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_Ext-1C-R +Total Standard Deviation in ln(k): 9.600382602594278""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_3HNO-u1_Ext-1C-R +Total Standard Deviation in ln(k): 9.600382602594278 +""", +) + +entry( + index = 7096, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1", + kinetics = ArrheniusBM(A=(0.0876932,'m^3/(mol*s)'), n=2.57084, w0=(435,'kJ/mol'), E0=(69.5301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23836335713753312, var=0.13839553065495488, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1 + Total Standard Deviation in ln(k): 1.3446954252935963"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1 +Total Standard Deviation in ln(k): 1.3446954252935963""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1 +Total Standard Deviation in ln(k): 1.3446954252935963 +""", +) + +entry( + index = 7097, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.383,'m^3/(mol*s)'), n=2.41, w0=(435,'kJ/mol'), E0=(73.2955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_Sp-5R!H-1C_N-3HNO-u1_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7098, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(1.48133e+06,'m^3/(mol*s)'), n=0.211482, w0=(431.062,'kJ/mol'), E0=(33.5416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46225537944906947, var=4.181692097724919, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C + Total Standard Deviation in ln(k): 5.260965733224896"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 5.260965733224896""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 5.260965733224896 +""", +) + +entry( + index = 7099, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C", + kinetics = ArrheniusBM(A=(4.06611e+07,'m^3/(mol*s)'), n=-0.0220556, w0=(431.143,'kJ/mol'), E0=(76.5637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25664163016790303, var=37.38550574427237, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C + Total Standard Deviation in ln(k): 12.902517813176381"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 12.902517813176381""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C +Total Standard Deviation in ln(k): 12.902517813176381 +""", +) + +entry( + index = 7100, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O", + kinetics = ArrheniusBM(A=(6.13088e+15,'m^3/(mol*s)'), n=-2.46958, w0=(435,'kJ/mol'), E0=(105.736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47941447193448866, var=44.60385511141187, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O + Total Standard Deviation in ln(k): 14.593406248875066"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O +Total Standard Deviation in ln(k): 14.593406248875066""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O +Total Standard Deviation in ln(k): 14.593406248875066 +""", +) + +entry( + index = 7101, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1", + kinetics = ArrheniusBM(A=(2.30034e+15,'m^3/(mol*s)'), n=-2.35154, w0=(435,'kJ/mol'), E0=(97.5536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9440740118576938, var=74.81988151574917, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1 + Total Standard Deviation in ln(k): 19.712700241096716"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 19.712700241096716""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 19.712700241096716 +""", +) + +entry( + index = 7102, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(15.4152,'m^3/(mol*s)'), n=1.72177, w0=(435,'kJ/mol'), E0=(11.2888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07990957438030141, var=0.4288436977933697, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 1.5136018188605782"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 1.5136018188605782""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 1.5136018188605782 +""", +) + +entry( + index = 7103, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(27.9369,'m^3/(mol*s)'), n=1.67653, w0=(435,'kJ/mol'), E0=(10.3153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12492778807584898, var=1.2596156712924455e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R_Ext-5C-R + Total Standard Deviation in ln(k): 0.3138960297816671"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.3138960297816671""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_3O-u1_Ext-3O-R_Ext-5C-R +Total Standard Deviation in ln(k): 0.3138960297816671 +""", +) + +entry( + index = 7104, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(60200,'m^3/(mol*s)'), n=0.7, w0=(435,'kJ/mol'), E0=(105.766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_N-3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_N-3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7105, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_N-3HNO->O", + kinetics = ArrheniusBM(A=(4.48387e-05,'m^3/(mol*s)'), n=3.66473, w0=(421.5,'kJ/mol'), E0=(27.3123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006156949663787804, var=1.6733453220556982, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_N-3HNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_N-3HNO->O + Total Standard Deviation in ln(k): 2.6087519065427855"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_N-3HNO->O +Total Standard Deviation in ln(k): 2.6087519065427855""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_5R!H->C_N-3HNO->O +Total Standard Deviation in ln(k): 2.6087519065427855 +""", +) + +entry( + index = 7106, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.46957e+06,'m^3/(mol*s)'), n=0.212389, w0=(431.029,'kJ/mol'), E0=(33.4723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46192619101035187, var=4.166427381211936, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C + Total Standard Deviation in ln(k): 5.252649406597002"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 5.252649406597002""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C +Total Standard Deviation in ln(k): 5.252649406597002 +""", +) + +entry( + index = 7107, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O", + kinetics = ArrheniusBM(A=(1.53376e+06,'m^3/(mol*s)'), n=0.206237, w0=(435,'kJ/mol'), E0=(33.4871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4709141033974119, var=4.197220534346187, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O + Total Standard Deviation in ln(k): 5.2903259158808495"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O +Total Standard Deviation in ln(k): 5.2903259158808495""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O +Total Standard Deviation in ln(k): 5.2903259158808495 +""", +) + +entry( + index = 7108, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1", + kinetics = ArrheniusBM(A=(2.21842e+09,'m^3/(mol*s)'), n=-0.679063, w0=(435,'kJ/mol'), E0=(58.8029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17310548888444566, var=4.953808074105709, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 + Total Standard Deviation in ln(k): 4.896907713151755"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 4.896907713151755""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 4.896907713151755 +""", +) + +entry( + index = 7109, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.05596e+11,'m^3/(mol*s)'), n=-1.01031, w0=(435,'kJ/mol'), E0=(80.8266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-9.461577422510041, var=271.6211618719748, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 56.812712654460036"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 56.812712654460036""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 56.812712654460036 +""", +) + +entry( + index = 7110, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(0.000232607,'m^3/(mol*s)'), n=3.07942, w0=(435,'kJ/mol'), E0=(129.309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6809236555868244, var=343.14589794425564, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0 + Total Standard Deviation in ln(k): 38.84697223158644"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 38.84697223158644""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 38.84697223158644 +""", +) + +entry( + index = 7111, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.9831e-10,'m^3/(mol*s)'), n=4.88621, w0=(435,'kJ/mol'), E0=(184.898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48865682836300683, var=0.25299278690813326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.2361304100986996"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.2361304100986996""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.2361304100986996 +""", +) + +entry( + index = 7112, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.87891e-10,'m^3/(mol*s)'), n=4.89669, w0=(435,'kJ/mol'), E0=(184.893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_6R!H-u0_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7113, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(1052.77,'m^3/(mol*s)'), n=1.28398, w0=(435,'kJ/mol'), E0=(7.52748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0867969891660962, var=7.404107413409635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_N-6R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 10.69819080211539"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 10.69819080211539""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_3O-u1_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 10.69819080211539 +""", +) + +entry( + index = 7114, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(5.79982e+06,'m^3/(mol*s)'), n=4.13786e-09, w0=(435,'kJ/mol'), E0=(28.3289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10481471453488216, var=0.03887644556037677, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 + Total Standard Deviation in ln(k): 0.6586293891935816"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 0.6586293891935816""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 0.6586293891935816 +""", +) + +entry( + index = 7115, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O", + kinetics = ArrheniusBM(A=(5.15361,'m^3/(mol*s)'), n=2.12357, w0=(421.5,'kJ/mol'), E0=(38.8427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.307027018426531, var=99.2894229057332, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O + Total Standard Deviation in ln(k): 33.31023659204819"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O +Total Standard Deviation in ln(k): 33.31023659204819""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O +Total Standard Deviation in ln(k): 33.31023659204819 +""", +) + +entry( + index = 7116, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->O", + kinetics = ArrheniusBM(A=(0.253998,'m^3/(mol*s)'), n=2.48956, w0=(421.5,'kJ/mol'), E0=(33.283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-7.85756612458813, var=200.1895582658815, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->O + Total Standard Deviation in ln(k): 48.1072961534096"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->O +Total Standard Deviation in ln(k): 48.1072961534096""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_5FNOS->O +Total Standard Deviation in ln(k): 48.1072961534096 +""", +) + +entry( + index = 7117, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->O", + kinetics = ArrheniusBM(A=(1.236e-07,'m^3/(mol*s)'), n=4.44976, w0=(421.5,'kJ/mol'), E0=(42.582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08178531615479223, var=10.790367974977977, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->O + Total Standard Deviation in ln(k): 6.790783960069062"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->O +Total Standard Deviation in ln(k): 6.790783960069062""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_Ext-1C-R_N-Sp-5R!H-1C_N-5R!H->C_N-3HNO->O_N-5FNOS->O +Total Standard Deviation in ln(k): 6.790783960069062 +""", +) + +entry( + index = 7118, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N", + kinetics = ArrheniusBM(A=(1.17534e+07,'m^3/(mol*s)'), n=-0.001785, w0=(398.5,'kJ/mol'), E0=(52.7036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.0448237269803893, var=9.251776709048674, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N + Total Standard Deviation in ln(k): 11.235497296999467"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N +Total Standard Deviation in ln(k): 11.235497296999467""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N +Total Standard Deviation in ln(k): 11.235497296999467 +""", +) + +entry( + index = 7119, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_3N-u1", + kinetics = ArrheniusBM(A=(29147.1,'m^3/(mol*s)'), n=0.655405, w0=(398.5,'kJ/mol'), E0=(57.8963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7059370989401493, var=9.224580691759396, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_3N-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_3N-u1 + Total Standard Deviation in ln(k): 7.8624916419168125"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_3N-u1 +Total Standard Deviation in ln(k): 7.8624916419168125""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_3N-u1 +Total Standard Deviation in ln(k): 7.8624916419168125 +""", +) + +entry( + index = 7120, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_N-3N-u1", + kinetics = ArrheniusBM(A=(1.16667e+07,'m^3/(mol*s)'), n=-1.83145e-08, w0=(398.5,'kJ/mol'), E0=(52.5813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_N-3N-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_N-3N-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_N-3N-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_3HNO->N_N-3N-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7121, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N", + kinetics = ArrheniusBM(A=(5.4811e-06,'m^3/(mol*s)'), n=3.71707, w0=(432.975,'kJ/mol'), E0=(10.1773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9461071178224367, var=2.1235029206204716, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N + Total Standard Deviation in ln(k): 5.29850241112851"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N +Total Standard Deviation in ln(k): 5.29850241112851""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N +Total Standard Deviation in ln(k): 5.29850241112851 +""", +) + +entry( + index = 7122, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O", + kinetics = ArrheniusBM(A=(5.63964e-06,'m^3/(mol*s)'), n=3.71303, w0=(435,'kJ/mol'), E0=(10.0988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9720658187110615, var=2.21841737628243, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O + Total Standard Deviation in ln(k): 5.428299528409111"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O +Total Standard Deviation in ln(k): 5.428299528409111""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O +Total Standard Deviation in ln(k): 5.428299528409111 +""", +) + +entry( + index = 7123, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1", + kinetics = ArrheniusBM(A=(14.8969,'m^3/(mol*s)'), n=1.72321, w0=(435,'kJ/mol'), E0=(34.069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1013365459417104, var=3.590166545952239, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1 + Total Standard Deviation in ln(k): 6.565696113060322"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1 +Total Standard Deviation in ln(k): 6.565696113060322""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1 +Total Standard Deviation in ln(k): 6.565696113060322 +""", +) + +entry( + index = 7124, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(492.624,'m^3/(mol*s)'), n=1.25703, w0=(435,'kJ/mol'), E0=(49.1291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7436867001802234, var=6.6811635753725085, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 7.050388125636596"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 7.050388125636596""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 7.050388125636596 +""", +) + +entry( + index = 7125, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(14813.3,'m^3/(mol*s)'), n=0.814174, w0=(435,'kJ/mol'), E0=(33.4107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9986996936284526, var=2.462235781716431, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 5.6550283523395155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 5.6550283523395155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 5.6550283523395155 +""", +) + +entry( + index = 7126, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C", + kinetics = ArrheniusBM(A=(8.65138e-09,'m^3/(mol*s)'), n=4.43706, w0=(435,'kJ/mol'), E0=(19.6677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3228536226983849, var=2.4436964318482577, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C + Total Standard Deviation in ln(k): 3.9450574073471225"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C +Total Standard Deviation in ln(k): 3.9450574073471225""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C +Total Standard Deviation in ln(k): 3.9450574073471225 +""", +) + +entry( + index = 7127, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(5.07e-09,'m^3/(mol*s)'), n=4.52, w0=(435,'kJ/mol'), E0=(19.4987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30721236150940395, var=2.1803996413335938, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.73211752524457"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.73211752524457""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.73211752524457 +""", +) + +entry( + index = 7128, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.000451402,'m^3/(mol*s)'), n=2.92355, w0=(435,'kJ/mol'), E0=(36.2285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06881660531340451, var=4.388303048683481, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C + Total Standard Deviation in ln(k): 4.372480593732227"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.372480593732227""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C +Total Standard Deviation in ln(k): 4.372480593732227 +""", +) + +entry( + index = 7129, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(1.17203e-05,'m^3/(mol*s)'), n=3.50332, w0=(435,'kJ/mol'), E0=(32.7245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.109411483732317, var=45.82173402337121, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R + Total Standard Deviation in ln(k): 23.89555761828602"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R +Total Standard Deviation in ln(k): 23.89555761828602""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R +Total Standard Deviation in ln(k): 23.89555761828602 +""", +) + +entry( + index = 7130, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0081115,'m^3/(mol*s)'), n=3.09974, w0=(435,'kJ/mol'), E0=(11.9537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1323487163179334, var=0.37988005299841704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.5681411056443657"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5681411056443657""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5681411056443657 +""", +) + +entry( + index = 7131, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00634216,'m^3/(mol*s)'), n=3.16235, w0=(435,'kJ/mol'), E0=(12.0259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_3O-u1_Ext-3O-R_N-5R!H->C_Ext-5BrClFINOPSSi-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7132, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(0.0299789,'m^3/(mol*s)'), n=2.80005, w0=(435,'kJ/mol'), E0=(27.7894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.417629045383665, var=38.59705662952909, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_N-3O-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_N-3O-u1 + Total Standard Deviation in ln(k): 23.554293750646966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_N-3O-u1 +Total Standard Deviation in ln(k): 23.554293750646966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_3HO->O_N-3O-u1 +Total Standard Deviation in ln(k): 23.554293750646966 +""", +) + +entry( + index = 7133, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_N-3HO->O", + kinetics = ArrheniusBM(A=(0.461974,'m^3/(mol*s)'), n=2.40582, w0=(421.5,'kJ/mol'), E0=(37.1353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17925061148233754, var=0.4102946447836706, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_N-3HO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_N-3HO->O + Total Standard Deviation in ln(k): 1.7344963616250855"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_N-3HO->O +Total Standard Deviation in ln(k): 1.7344963616250855""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_1CNO->C_N-3BrHNO->Br_N-3HNO->N_N-3HO->O +Total Standard Deviation in ln(k): 1.7344963616250855 +""", +) + +entry( + index = 7134, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C", + kinetics = ArrheniusBM(A=(4.67375e-08,'m^3/(mol*s)'), n=4.12617, w0=(440.647,'kJ/mol'), E0=(0.64798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6790148377919718, var=11.214596075377036, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C + Total Standard Deviation in ln(k): 8.41956455794557"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C +Total Standard Deviation in ln(k): 8.41956455794557""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C +Total Standard Deviation in ln(k): 8.41956455794557 +""", +) + +entry( + index = 7135, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_3BrHNO->Br", + kinetics = ArrheniusBM(A=(0.221171,'m^3/(mol*s)'), n=2.2553, w0=(410.5,'kJ/mol'), E0=(37.8712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_3BrHNO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_3BrHNO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_3BrHNO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_3BrHNO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7136, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br", + kinetics = ArrheniusBM(A=(5.09575e-08,'m^3/(mol*s)'), n=4.12048, w0=(442.531,'kJ/mol'), E0=(3.26798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6456705196587827, var=11.076366046490476, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br + Total Standard Deviation in ln(k): 8.29428161752477"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br +Total Standard Deviation in ln(k): 8.29428161752477""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br +Total Standard Deviation in ln(k): 8.29428161752477 +""", +) + +entry( + index = 7137, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N", + kinetics = ArrheniusBM(A=(5.66678e-23,'m^3/(mol*s)'), n=8.52695, w0=(410,'kJ/mol'), E0=(3.00462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19798973853365412, var=30.645622691932957, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N + Total Standard Deviation in ln(k): 11.595372063909448"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N +Total Standard Deviation in ln(k): 11.595372063909448""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N +Total Standard Deviation in ln(k): 11.595372063909448 +""", +) + +entry( + index = 7138, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O", + kinetics = ArrheniusBM(A=(2.23097e-32,'m^3/(mol*s)'), n=11.2339, w0=(422.5,'kJ/mol'), E0=(1.721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02301366769204664, var=33.16459300415444, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O + Total Standard Deviation in ln(k): 11.602833604278342"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O +Total Standard Deviation in ln(k): 11.602833604278342""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O +Total Standard Deviation in ln(k): 11.602833604278342 +""", +) + +entry( + index = 7139, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_3O-u1", + kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=2, w0=(422.5,'kJ/mol'), E0=(114.901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7140, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(422.5,'kJ/mol'), E0=(92.9209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_N-3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_N-3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7141, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O", + kinetics = ArrheniusBM(A=(0.0699326,'m^3/(mol*s)'), n=2.47169, w0=(397.5,'kJ/mol'), E0=(41.6683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03402682467646001, var=7.637927732672529, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O + Total Standard Deviation in ln(k): 5.625940987143326"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O +Total Standard Deviation in ln(k): 5.625940987143326""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O +Total Standard Deviation in ln(k): 5.625940987143326 +""", +) + +entry( + index = 7142, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_3HN->N", + kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(386,'kJ/mol'), E0=(45.685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_3HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_3HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_3HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_3HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7143, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_N-3HN->N", + kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(409,'kJ/mol'), E0=(50.8709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_N-3HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_N-3HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_N-3HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_1NO->N_N-3HNO->O_N-3HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7144, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N", + kinetics = ArrheniusBM(A=(0.0142998,'m^3/(mol*s)'), n=2.52782, w0=(453.375,'kJ/mol'), E0=(12.0696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11385806319625512, var=5.470877481986011, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N + Total Standard Deviation in ln(k): 4.975132232214889"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N +Total Standard Deviation in ln(k): 4.975132232214889""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N +Total Standard Deviation in ln(k): 4.975132232214889 +""", +) + +entry( + index = 7145, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O", + kinetics = ArrheniusBM(A=(24.0455,'m^3/(mol*s)'), n=1.47373, w0=(459,'kJ/mol'), E0=(1.27797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20555648863562517, var=0.5530659707077573, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O + Total Standard Deviation in ln(k): 2.007363097113127"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O +Total Standard Deviation in ln(k): 2.007363097113127""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O +Total Standard Deviation in ln(k): 2.007363097113127 +""", +) + +entry( + index = 7146, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1", + kinetics = ArrheniusBM(A=(12.7096,'m^3/(mol*s)'), n=1.54102, w0=(459,'kJ/mol'), E0=(12.6926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8268317844568849, var=1.1093873953635482, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1 + Total Standard Deviation in ln(k): 4.1890033436271565"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 4.1890033436271565""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1 +Total Standard Deviation in ln(k): 4.1890033436271565 +""", +) + +entry( + index = 7147, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.00805081,'m^3/(mol*s)'), n=2.58635, w0=(459,'kJ/mol'), E0=(-16.85,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8581282266974317, var=0.8303055192963006, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 6.495400576835943"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 6.495400576835943""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 6.495400576835943 +""", +) + +entry( + index = 7148, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(2.31556e-05,'m^3/(mol*s)'), n=3.40992, w0=(459,'kJ/mol'), E0=(14.265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7149, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(92190.3,'m^3/(mol*s)'), n=0.298651, w0=(459,'kJ/mol'), E0=(52.3138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7150, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_N-3O-u1", + kinetics = ArrheniusBM(A=(3.70075e+06,'m^3/(mol*s)'), n=2.06036e-08, w0=(459,'kJ/mol'), E0=(16.7373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9504816356002749, var=2.4143291312565767, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_N-3O-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_N-3O-u1 + Total Standard Deviation in ln(k): 5.503124555819385"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 5.503124555819385""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_3HNO->O_N-3O-u1 +Total Standard Deviation in ln(k): 5.503124555819385 +""", +) + +entry( + index = 7151, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_N-3HNO->O", + kinetics = ArrheniusBM(A=(0.0338739,'m^3/(mol*s)'), n=2.68086, w0=(445.5,'kJ/mol'), E0=(36.4153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.159549943249347, var=19.071765264377536, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_N-3HNO->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_N-3HNO->O + Total Standard Deviation in ln(k): 14.180929999465095"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_N-3HNO->O +Total Standard Deviation in ln(k): 14.180929999465095""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_4BrCFNS->C_N-1CNO->C_N-3BrHNO->Br_N-1NO->N_N-3HNO->O +Total Standard Deviation in ln(k): 14.180929999465095 +""", +) + +entry( + index = 7152, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C", + kinetics = ArrheniusBM(A=(3.34596e-09,'m^3/(mol*s)'), n=4.58964, w0=(425.68,'kJ/mol'), E0=(5.28289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36253022603685775, var=16.314873672378702, Tref=1000.0, N=89, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C',), comment="""BM rule fitted to 89 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C + Total Standard Deviation in ln(k): 9.008340631240953"""), + rank = 11, + shortDesc = """BM rule fitted to 89 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C +Total Standard Deviation in ln(k): 9.008340631240953""", + longDesc = +""" +BM rule fitted to 89 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C +Total Standard Deviation in ln(k): 9.008340631240953 +""", +) + +entry( + index = 7153, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br", + kinetics = ArrheniusBM(A=(631.145,'m^3/(mol*s)'), n=1.30819, w0=(390.5,'kJ/mol'), E0=(15.9473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1157449009236984, var=7.741918899941367, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br + Total Standard Deviation in ln(k): 5.868852146134237"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br +Total Standard Deviation in ln(k): 5.868852146134237""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br +Total Standard Deviation in ln(k): 5.868852146134237 +""", +) + +entry( + index = 7154, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F", + kinetics = ArrheniusBM(A=(319.483,'m^3/(mol*s)'), n=1.31624, w0=(386.5,'kJ/mol'), E0=(14.0776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10135250840190817, var=0.512056516473394, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F + Total Standard Deviation in ln(k): 1.6892053638876217"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F +Total Standard Deviation in ln(k): 1.6892053638876217""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F +Total Standard Deviation in ln(k): 1.6892053638876217 +""", +) + +entry( + index = 7155, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(330.824,'m^3/(mol*s)'), n=1.29627, w0=(386.5,'kJ/mol'), E0=(15.7514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005966127440814566, var=0.22994073774148185, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R + Total Standard Deviation in ln(k): 0.9763035670691373"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.9763035670691373""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 0.9763035670691373 +""", +) + +entry( + index = 7156, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_5R!H->Br", + kinetics = ArrheniusBM(A=(2.31676e+07,'m^3/(mol*s)'), n=-0.0980051, w0=(386.5,'kJ/mol'), E0=(32.4553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7157, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br", + kinetics = ArrheniusBM(A=(247.378,'m^3/(mol*s)'), n=1.33546, w0=(386.5,'kJ/mol'), E0=(15.7785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13729020380930326, var=0.8571144417731349, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br + Total Standard Deviation in ln(k): 2.2009435251710676"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br +Total Standard Deviation in ln(k): 2.2009435251710676""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br +Total Standard Deviation in ln(k): 2.2009435251710676 +""", +) + +entry( + index = 7158, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.80544e+07,'m^3/(mol*s)'), n=-0.0639767, w0=(386.5,'kJ/mol'), E0=(40.543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_4BrFNS->F_Ext-1CNO-R_N-5R!H->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7159, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F", + kinetics = ArrheniusBM(A=(1.98042e+13,'m^3/(mol*s)'), n=-1.54557, w0=(398.5,'kJ/mol'), E0=(47.3339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11823641070455501, var=75.31260918331421, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F + Total Standard Deviation in ln(k): 17.69473629302684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F +Total Standard Deviation in ln(k): 17.69473629302684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F +Total Standard Deviation in ln(k): 17.69473629302684 +""", +) + +entry( + index = 7160, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_1CNO->C", + kinetics = ArrheniusBM(A=(1.93238e+08,'m^3/(mol*s)'), n=0.243018, w0=(386.5,'kJ/mol'), E0=(28.0925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7161, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_N-1CNO->C", + kinetics = ArrheniusBM(A=(6.41484e+06,'m^3/(mol*s)'), n=-0.0391757, w0=(410.5,'kJ/mol'), E0=(34.6459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_3BrHNO->Br_N-4BrFNS->F_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7162, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br", + kinetics = ArrheniusBM(A=(3.20322e-09,'m^3/(mol*s)'), n=4.59556, w0=(428.223,'kJ/mol'), E0=(5.28455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3635385563736462, var=16.3211520482974, Tref=1000.0, N=83, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br',), comment="""BM rule fitted to 83 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br + Total Standard Deviation in ln(k): 9.012432028490004"""), + rank = 11, + shortDesc = """BM rule fitted to 83 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br +Total Standard Deviation in ln(k): 9.012432028490004""", + longDesc = +""" +BM rule fitted to 83 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br +Total Standard Deviation in ln(k): 9.012432028490004 +""", +) + +entry( + index = 7163, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1", + kinetics = ArrheniusBM(A=(0.0391026,'m^3/(mol*s)'), n=2.54517, w0=(427.754,'kJ/mol'), E0=(38.1272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03845173045452615, var=9.69416725946854, Tref=1000.0, N=69, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1',), comment="""BM rule fitted to 69 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1 + Total Standard Deviation in ln(k): 6.338446807489912"""), + rank = 11, + shortDesc = """BM rule fitted to 69 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1 +Total Standard Deviation in ln(k): 6.338446807489912""", + longDesc = +""" +BM rule fitted to 69 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1 +Total Standard Deviation in ln(k): 6.338446807489912 +""", +) + +entry( + index = 7164, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O", + kinetics = ArrheniusBM(A=(1.35952,'m^3/(mol*s)'), n=2.12122, w0=(437.5,'kJ/mol'), E0=(41.654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1690472048190197, var=27.318222975194576, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O + Total Standard Deviation in ln(k): 10.902857963646838"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O +Total Standard Deviation in ln(k): 10.902857963646838""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O +Total Standard Deviation in ln(k): 10.902857963646838 +""", +) + +entry( + index = 7165, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F", + kinetics = ArrheniusBM(A=(153.38,'m^3/(mol*s)'), n=1.56468, w0=(435,'kJ/mol'), E0=(51.6706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17055706393051195, var=3.5246962738905463, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F + Total Standard Deviation in ln(k): 4.192259949338488"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F +Total Standard Deviation in ln(k): 4.192259949338488""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F +Total Standard Deviation in ln(k): 4.192259949338488 +""", +) + +entry( + index = 7166, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(19826,'m^3/(mol*s)'), n=0.982318, w0=(435,'kJ/mol'), E0=(56.9063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22857202882979796, var=3.7861294930026155, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R + Total Standard Deviation in ln(k): 4.475110896687355"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.475110896687355""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.475110896687355 +""", +) + +entry( + index = 7167, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F", + kinetics = ArrheniusBM(A=(5.48762e+06,'m^3/(mol*s)'), n=0.251432, w0=(435,'kJ/mol'), E0=(66.6556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2699264159714582, var=3.8400827229474235, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F + Total Standard Deviation in ln(k): 4.60671179665845"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F +Total Standard Deviation in ln(k): 4.60671179665845""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F +Total Standard Deviation in ln(k): 4.60671179665845 +""", +) + +entry( + index = 7168, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(1.22474e+06,'m^3/(mol*s)'), n=0.455017, w0=(435,'kJ/mol'), E0=(64.8234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11794424095723399, var=4.858600740719469, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R + Total Standard Deviation in ln(k): 4.715226256713454"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.715226256713454""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R +Total Standard Deviation in ln(k): 4.715226256713454 +""", +) + +entry( + index = 7169, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F", + kinetics = ArrheniusBM(A=(2.18903e+06,'m^3/(mol*s)'), n=0.362137, w0=(435,'kJ/mol'), E0=(67.1316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1130509181294999, var=6.134451022066787, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F + Total Standard Deviation in ln(k): 5.24934007522379"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F +Total Standard Deviation in ln(k): 5.24934007522379""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F +Total Standard Deviation in ln(k): 5.24934007522379 +""", +) + +entry( + index = 7170, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R", + kinetics = ArrheniusBM(A=(9.00056e+07,'m^3/(mol*s)'), n=-0.145988, w0=(435,'kJ/mol'), E0=(73.4884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35457932337033754, var=6.632893545115415, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R + Total Standard Deviation in ln(k): 6.0539786454779465"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R +Total Standard Deviation in ln(k): 6.0539786454779465""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R +Total Standard Deviation in ln(k): 6.0539786454779465 +""", +) + +entry( + index = 7171, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0", + kinetics = ArrheniusBM(A=(0.00318189,'m^3/(mol*s)'), n=2.72809, w0=(435,'kJ/mol'), E0=(41.0032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09020859576331813, var=3.6146390619407494, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0 + Total Standard Deviation in ln(k): 4.038098016674995"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 4.038098016674995""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0 +Total Standard Deviation in ln(k): 4.038098016674995 +""", +) + +entry( + index = 7172, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C", + kinetics = ArrheniusBM(A=(0.134964,'m^3/(mol*s)'), n=2.18532, w0=(435,'kJ/mol'), E0=(40.7796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07103738008817126, var=9.199817676337705, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C + Total Standard Deviation in ln(k): 6.2590881827553915"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 6.2590881827553915""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C +Total Standard Deviation in ln(k): 6.2590881827553915 +""", +) + +entry( + index = 7173, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R", + kinetics = ArrheniusBM(A=(0.098034,'m^3/(mol*s)'), n=2.33695, w0=(435,'kJ/mol'), E0=(42.5498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33314021661922943, var=21.75794234233539, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R + Total Standard Deviation in ln(k): 10.18820459719107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 10.18820459719107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R +Total Standard Deviation in ln(k): 10.18820459719107 +""", +) + +entry( + index = 7174, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R", + kinetics = ArrheniusBM(A=(3.19355e-06,'m^3/(mol*s)'), n=3.77751, w0=(435,'kJ/mol'), E0=(26.8923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_7R!H->C_Ext-7C-R_Ext-7C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7175, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_N-7R!H->C", + kinetics = ArrheniusBM(A=(5.99612e-10,'m^3/(mol*s)'), n=4.88421, w0=(435,'kJ/mol'), E0=(35.7805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_7R!H-u0_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7176, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_N-7R!H-u0", + kinetics = ArrheniusBM(A=(0.00251866,'m^3/(mol*s)'), n=3.35942, w0=(435,'kJ/mol'), E0=(61.0964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_N-7R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_N-7R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_6R!H->F_Ext-3O-R_N-7R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7177, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_N-6R!H->F", + kinetics = ArrheniusBM(A=(0.00101178,'m^3/(mol*s)'), n=3.18113, w0=(435,'kJ/mol'), E0=(25.0531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_N-6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_N-6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-1CNO-R_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7178, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R", + kinetics = ArrheniusBM(A=(2.53924e+08,'m^3/(mol*s)'), n=-0.338142, w0=(435,'kJ/mol'), E0=(74.7366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5503946201552177, var=2.5775728048641757, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R + Total Standard Deviation in ln(k): 4.601467357296389"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R +Total Standard Deviation in ln(k): 4.601467357296389""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R +Total Standard Deviation in ln(k): 4.601467357296389 +""", +) + +entry( + index = 7179, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0", + kinetics = ArrheniusBM(A=(2.11008e-06,'m^3/(mol*s)'), n=3.66266, w0=(435,'kJ/mol'), E0=(38.3196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1866332160154315, var=2.9779529909265254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0 + Total Standard Deviation in ln(k): 3.9284481775486877"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.9284481775486877""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.9284481775486877 +""", +) + +entry( + index = 7180, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_6R!H->C", + kinetics = ArrheniusBM(A=(2.19627e-11,'m^3/(mol*s)'), n=4.98234, w0=(435,'kJ/mol'), E0=(22.4603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7181, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_N-6R!H->C", + kinetics = ArrheniusBM(A=(2.13881e-11,'m^3/(mol*s)'), n=5.20145, w0=(435,'kJ/mol'), E0=(26.8687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_6R!H-u0_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7182, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(2.01844e+08,'m^3/(mol*s)'), n=0.099938, w0=(435,'kJ/mol'), E0=(78.9309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11373583237427969, var=2.3865323243149974, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_N-6R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 3.382764462221454"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 3.382764462221454""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_5R!H->F_Ext-3O-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 3.382764462221454 +""", +) + +entry( + index = 7183, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(3.52299e-10,'m^3/(mol*s)'), n=4.96635, w0=(435,'kJ/mol'), E0=(7.2651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008038687911284459, var=2.92701348072947, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F + Total Standard Deviation in ln(k): 3.4500020891589998"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F +Total Standard Deviation in ln(k): 3.4500020891589998""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F +Total Standard Deviation in ln(k): 3.4500020891589998 +""", +) + +entry( + index = 7184, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(2.45875e-07,'m^3/(mol*s)'), n=4.20229, w0=(435,'kJ/mol'), E0=(19.2078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23017854265366028, var=0.8973492449307959, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 2.47739391009372"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 2.47739391009372""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 2.47739391009372 +""", +) + +entry( + index = 7185, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(2.97163e-07,'m^3/(mol*s)'), n=4.17642, w0=(435,'kJ/mol'), E0=(19.6081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27433227277324734, var=1.2654854889336145, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R + Total Standard Deviation in ln(k): 2.9444797224772814"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.9444797224772814""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R +Total Standard Deviation in ln(k): 2.9444797224772814 +""", +) + +entry( + index = 7186, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_6R!H->O", + kinetics = ArrheniusBM(A=(4.85972e-05,'m^3/(mol*s)'), n=3.46412, w0=(435,'kJ/mol'), E0=(28.8708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_6R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_6R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_6R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7187, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O", + kinetics = ArrheniusBM(A=(6.78035,'m^3/(mol*s)'), n=2.09351, w0=(435,'kJ/mol'), E0=(39.5067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23806056415685237, var=1.014804065240467, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O + Total Standard Deviation in ln(k): 2.6176617958198953"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.6176617958198953""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O +Total Standard Deviation in ln(k): 2.6176617958198953 +""", +) + +entry( + index = 7188, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_Ext-5C-R", + kinetics = ArrheniusBM(A=(1.96014e-07,'m^3/(mol*s)'), n=4.25864, w0=(435,'kJ/mol'), E0=(19.0553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7189, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1867.53,'m^3/(mol*s)'), n=1.41253, w0=(435,'kJ/mol'), E0=(46.8688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7447433472922569, var=4.026302521943958, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 5.893845392626866"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 5.893845392626866""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 5.893845392626866 +""", +) + +entry( + index = 7190, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(4.01702e+15,'m^3/(mol*s)'), n=-2.57853, w0=(435,'kJ/mol'), E0=(61.5524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_6BrCClFINPSSi->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7191, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_N-6BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(4.29334e-07,'m^3/(mol*s)'), n=4.13126, w0=(435,'kJ/mol'), E0=(21.9029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_N-6BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_N-6BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_5BrCClINOPSSi->C_Ext-5C-R_N-6R!H->O_N-6BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7192, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(3.48758,'m^3/(mol*s)'), n=1.97488, w0=(435,'kJ/mol'), E0=(52.2415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03665925560333681, var=19.439451801006392, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C + Total Standard Deviation in ln(k): 8.931024469453703"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 8.931024469453703""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C +Total Standard Deviation in ln(k): 8.931024469453703 +""", +) + +entry( + index = 7193, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(4.97699e-11,'m^3/(mol*s)'), n=5.01423, w0=(435,'kJ/mol'), E0=(30.2971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-1CNO-R_N-5R!H->F_N-5BrCClINOPSSi->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7194, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.542306,'m^3/(mol*s)'), n=2.18489, w0=(435,'kJ/mol'), E0=(47.689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3713246533784414, var=4.902249362199278, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R + Total Standard Deviation in ln(k): 5.371665228074563"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R +Total Standard Deviation in ln(k): 5.371665228074563""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R +Total Standard Deviation in ln(k): 5.371665228074563 +""", +) + +entry( + index = 7195, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(6.77041e-06,'m^3/(mol*s)'), n=3.55128, w0=(435,'kJ/mol'), E0=(32.7638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03636973285417121, var=6.94079146197741, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 5.372932355763969"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 5.372932355763969""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 5.372932355763969 +""", +) + +entry( + index = 7196, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C", + kinetics = ArrheniusBM(A=(0.307209,'m^3/(mol*s)'), n=2.20291, w0=(435,'kJ/mol'), E0=(41.2988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6004928028575814, var=13.875942651194523, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C + Total Standard Deviation in ln(k): 8.976499526762272"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 8.976499526762272""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 8.976499526762272 +""", +) + +entry( + index = 7197, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.00636661,'m^3/(mol*s)'), n=2.75559, w0=(435,'kJ/mol'), E0=(31.8477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2186434222314283, var=2.178631479668529, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R + Total Standard Deviation in ln(k): 3.5083819830756444"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.5083819830756444""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R +Total Standard Deviation in ln(k): 3.5083819830756444 +""", +) + +entry( + index = 7198, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(6.19301e-06,'m^3/(mol*s)'), n=3.63932, w0=(435,'kJ/mol'), E0=(20.2108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_5R!H->C_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7199, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.07884e-11,'m^3/(mol*s)'), n=5.25475, w0=(435,'kJ/mol'), E0=(27.3975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_5R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7200, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(0.000565944,'m^3/(mol*s)'), n=3.1934, w0=(435,'kJ/mol'), E0=(39.7677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_4BrFNS->F_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7201, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F", + kinetics = ArrheniusBM(A=(1.3164,'m^3/(mol*s)'), n=2.12298, w0=(442.917,'kJ/mol'), E0=(41.1737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17335647967780884, var=31.846154297005995, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F + Total Standard Deviation in ln(k): 11.748769618547566"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F +Total Standard Deviation in ln(k): 11.748769618547566""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F +Total Standard Deviation in ln(k): 11.748769618547566 +""", +) + +entry( + index = 7202, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N", + kinetics = ArrheniusBM(A=(0.373095,'m^3/(mol*s)'), n=2.345, w0=(422.5,'kJ/mol'), E0=(-4.707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5598535349787637, var=6.258498301726093, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N + Total Standard Deviation in ln(k): 8.934473892095781"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N +Total Standard Deviation in ln(k): 8.934473892095781""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N +Total Standard Deviation in ln(k): 8.934473892095781 +""", +) + +entry( + index = 7203, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(15.137,'m^3/(mol*s)'), n=1.91136, w0=(422.5,'kJ/mol'), E0=(4.225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_1CNO->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7204, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N", + kinetics = ArrheniusBM(A=(2.59555e+11,'m^3/(mol*s)'), n=-1.15564, w0=(447,'kJ/mol'), E0=(92.8625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.332471382411908, var=26.52746010114939, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N + Total Standard Deviation in ln(k): 13.673269056384626"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N +Total Standard Deviation in ln(k): 13.673269056384626""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N +Total Standard Deviation in ln(k): 13.673269056384626 +""", +) + +entry( + index = 7205, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C", + kinetics = ArrheniusBM(A=(13.9888,'m^3/(mol*s)'), n=1.8317, w0=(435,'kJ/mol'), E0=(37.58,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19345649880021426, var=1.4965853509972187, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C + Total Standard Deviation in ln(k): 2.9385643672416224"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C +Total Standard Deviation in ln(k): 2.9385643672416224""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C +Total Standard Deviation in ln(k): 2.9385643672416224 +""", +) + +entry( + index = 7206, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_4BrNS->N", + kinetics = ArrheniusBM(A=(3.6,'m^3/(mol*s)'), n=2, w0=(435,'kJ/mol'), E0=(34.3445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_4BrNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_4BrNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_4BrNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_4BrNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7207, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N", + kinetics = ArrheniusBM(A=(1316.9,'m^3/(mol*s)'), n=1.2784, w0=(435,'kJ/mol'), E0=(44.5529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02109984319351062, var=6.907877338842103, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N + Total Standard Deviation in ln(k): 5.322028020898423"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N +Total Standard Deviation in ln(k): 5.322028020898423""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N +Total Standard Deviation in ln(k): 5.322028020898423 +""", +) + +entry( + index = 7208, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(524534,'m^3/(mol*s)'), n=0.529409, w0=(435,'kJ/mol'), E0=(50.4311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018437937428796822, var=20.656450448516413, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R + Total Standard Deviation in ln(k): 9.157720688569235"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R +Total Standard Deviation in ln(k): 9.157720688569235""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R +Total Standard Deviation in ln(k): 9.157720688569235 +""", +) + +entry( + index = 7209, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(4.01652e-10,'m^3/(mol*s)'), n=4.8453, w0=(435,'kJ/mol'), E0=(0.425088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5369904366804417, var=4.467607137982667, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 5.586573566741749"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 5.586573566741749""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 5.586573566741749 +""", +) + +entry( + index = 7210, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_5R!H->Br", + kinetics = ArrheniusBM(A=(2.13153e-08,'m^3/(mol*s)'), n=4.44669, w0=(435,'kJ/mol'), E0=(10.5437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7211, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_N-5R!H->Br", + kinetics = ArrheniusBM(A=(8.35897e-09,'m^3/(mol*s)'), n=4.372, w0=(435,'kJ/mol'), E0=(13.7893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_N-5R!H->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_N-5R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_N-5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0_N-5R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7212, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(5.03292e+07,'m^3/(mol*s)'), n=0.329852, w0=(435,'kJ/mol'), E0=(51.3646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7213, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C", + kinetics = ArrheniusBM(A=(2.47641e+14,'m^3/(mol*s)'), n=-2.03285, w0=(459,'kJ/mol'), E0=(111.832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.253325111425075, var=42.78015546696373, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C + Total Standard Deviation in ln(k): 18.773899496101894"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C +Total Standard Deviation in ln(k): 18.773899496101894""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C +Total Standard Deviation in ln(k): 18.773899496101894 +""", +) + +entry( + index = 7214, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N", + kinetics = ArrheniusBM(A=(3.7572e+14,'m^3/(mol*s)'), n=-2.08514, w0=(459,'kJ/mol'), E0=(112.686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2923559533954456, var=29.316231762124097, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N + Total Standard Deviation in ln(k): 14.10165649361915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N +Total Standard Deviation in ln(k): 14.10165649361915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N +Total Standard Deviation in ln(k): 14.10165649361915 +""", +) + +entry( + index = 7215, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.69, w0=(459,'kJ/mol'), E0=(83.9215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_4BrNS->N_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7216, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N", + kinetics = ArrheniusBM(A=(469257,'m^3/(mol*s)'), n=0.511793, w0=(459,'kJ/mol'), E0=(45.7353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.7146062062811447, var=10.924661812524338, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N + Total Standard Deviation in ln(k): 10.934201632810836"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N +Total Standard Deviation in ln(k): 10.934201632810836""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N +Total Standard Deviation in ln(k): 10.934201632810836 +""", +) + +entry( + index = 7217, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.58444e+15,'m^3/(mol*s)'), n=-2.43724, w0=(459,'kJ/mol'), E0=(82.3024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1936267322427623, var=44.34425231072769, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R + Total Standard Deviation in ln(k): 16.348889756314026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R +Total Standard Deviation in ln(k): 16.348889756314026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R +Total Standard Deviation in ln(k): 16.348889756314026 +""", +) + +entry( + index = 7218, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(1e-06,'m^3/(mol*s)'), n=3.55, w0=(459,'kJ/mol'), E0=(24.0151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7219, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(4.43768e+08,'m^3/(mol*s)'), n=-0.472973, w0=(459,'kJ/mol'), E0=(46.2034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_3HNO->O_N-4BrFNS->F_N-1CNO->N_N-1CO->C_N-4BrNS->N_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7220, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O", + kinetics = ArrheniusBM(A=(4.00322e-06,'m^3/(mol*s)'), n=3.67466, w0=(415.806,'kJ/mol'), E0=(13.0643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2708709971454744, var=2.546247542730692, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O + Total Standard Deviation in ln(k): 3.8795292811049897"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O +Total Standard Deviation in ln(k): 3.8795292811049897""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O +Total Standard Deviation in ln(k): 3.8795292811049897 +""", +) + +entry( + index = 7221, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(0.0050813,'m^3/(mol*s)'), n=3.07228, w0=(421.5,'kJ/mol'), E0=(37.4011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06832040106009127, var=1.2792015236760321, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R + Total Standard Deviation in ln(k): 2.4390505861753655"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.4390505861753655""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R +Total Standard Deviation in ln(k): 2.4390505861753655 +""", +) + +entry( + index = 7222, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.8588,'m^3/(mol*s)'), n=2.32631, w0=(421.5,'kJ/mol'), E0=(45.7768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16397345423186713, var=2.877173885211218, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.8124721896103564"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.8124721896103564""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.8124721896103564 +""", +) + +entry( + index = 7223, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0100524,'m^3/(mol*s)'), n=3.0682, w0=(421.5,'kJ/mol'), E0=(36.6539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7224, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_6R!H->C", + kinetics = ArrheniusBM(A=(7.23737e-05,'m^3/(mol*s)'), n=3.57529, w0=(421.5,'kJ/mol'), E0=(32.6937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7225, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(4.07209,'m^3/(mol*s)'), n=2.2969, w0=(421.5,'kJ/mol'), E0=(47.8291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11074707075734322, var=18.29314357469581, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C + Total Standard Deviation in ln(k): 8.852608057893788"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 8.852608057893788""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C +Total Standard Deviation in ln(k): 8.852608057893788 +""", +) + +entry( + index = 7226, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_6FO->O", + kinetics = ArrheniusBM(A=(3.71198e-05,'m^3/(mol*s)'), n=3.69512, w0=(421.5,'kJ/mol'), E0=(44.9699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_6FO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_6FO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_6FO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_6FO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7227, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_N-6FO->O", + kinetics = ArrheniusBM(A=(0.00503778,'m^3/(mol*s)'), n=3.17583, w0=(421.5,'kJ/mol'), E0=(30.2493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_N-6FO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_N-6FO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_N-6FO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_Ext-5R!H-R_N-6R!H->C_N-6FO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7228, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_4BrFNS->Br", + kinetics = ArrheniusBM(A=(6.62,'m^3/(mol*s)'), n=2.05, w0=(421.5,'kJ/mol'), E0=(31.0446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_4BrFNS->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_4BrFNS->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_4BrFNS->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_4BrFNS->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7229, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br", + kinetics = ArrheniusBM(A=(1.89139e-12,'m^3/(mol*s)'), n=5.73749, w0=(421.5,'kJ/mol'), E0=(11.8213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28185813591535364, var=1.181715306745101, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br + Total Standard Deviation in ln(k): 2.8874682115801424"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br +Total Standard Deviation in ln(k): 2.8874682115801424""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br +Total Standard Deviation in ln(k): 2.8874682115801424 +""", +) + +entry( + index = 7230, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_Ext-1CNO-R", + kinetics = ArrheniusBM(A=(4.14825e-09,'m^3/(mol*s)'), n=4.76345, w0=(421.5,'kJ/mol'), E0=(22.8353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_Ext-1CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_Ext-1CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_Ext-1CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7231, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_5R!H->O", + kinetics = ArrheniusBM(A=(2.99492e-06,'m^3/(mol*s)'), n=3.94282, w0=(421.5,'kJ/mol'), E0=(25.9782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7232, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O", + kinetics = ArrheniusBM(A=(5.88345e-13,'m^3/(mol*s)'), n=5.89791, w0=(421.5,'kJ/mol'), E0=(9.23468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3025875226200212, var=2.943287769733818, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O + Total Standard Deviation in ln(k): 4.199596232572715"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O +Total Standard Deviation in ln(k): 4.199596232572715""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O +Total Standard Deviation in ln(k): 4.199596232572715 +""", +) + +entry( + index = 7233, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_5CFS->F", + kinetics = ArrheniusBM(A=(1.16229e-05,'m^3/(mol*s)'), n=3.74928, w0=(421.5,'kJ/mol'), E0=(26.9233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_5CFS->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_5CFS->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_5CFS->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_5CFS->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7234, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F", + kinetics = ArrheniusBM(A=(1.04212e-13,'m^3/(mol*s)'), n=6.15726, w0=(421.5,'kJ/mol'), E0=(0.379618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0433576028391387, var=4.173856032612536, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F + Total Standard Deviation in ln(k): 6.717178728232621"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F +Total Standard Deviation in ln(k): 6.717178728232621""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F +Total Standard Deviation in ln(k): 6.717178728232621 +""", +) + +entry( + index = 7235, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S", + kinetics = ArrheniusBM(A=(9.95715e-19,'m^3/(mol*s)'), n=7.6811, w0=(421.5,'kJ/mol'), E0=(0.840426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5411983065151725, var=7.421552910989633, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S + Total Standard Deviation in ln(k): 6.821199737967501"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S +Total Standard Deviation in ln(k): 6.821199737967501""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S +Total Standard Deviation in ln(k): 6.821199737967501 +""", +) + +entry( + index = 7236, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_5CS->C", + kinetics = ArrheniusBM(A=(4.24152e-09,'m^3/(mol*s)'), n=4.94636, w0=(421.5,'kJ/mol'), E0=(18.5196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2868608121020539, var=0.37560670613628117, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_5CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_5CS->C + Total Standard Deviation in ln(k): 1.949393002821571"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_5CS->C +Total Standard Deviation in ln(k): 1.949393002821571""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_5CS->C +Total Standard Deviation in ln(k): 1.949393002821571 +""", +) + +entry( + index = 7237, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_N-5CS->C", + kinetics = ArrheniusBM(A=(5.20226e-08,'m^3/(mol*s)'), n=4.58601, w0=(421.5,'kJ/mol'), E0=(55.019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0020845015766894214, var=25.154692237872734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_N-5CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_N-5CS->C + Total Standard Deviation in ln(k): 10.059876698827226"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_N-5CS->C +Total Standard Deviation in ln(k): 10.059876698827226""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_4FS->S_N-5CS->C +Total Standard Deviation in ln(k): 10.059876698827226 +""", +) + +entry( + index = 7238, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_N-4FS->S", + kinetics = ArrheniusBM(A=(2.24578e-05,'m^3/(mol*s)'), n=3.74166, w0=(421.5,'kJ/mol'), E0=(30.184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_N-4FS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_N-4FS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_N-4FS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_Ext-1CNO-R_N-4BrFNS->Br_N-5R!H->O_N-5CFS->F_N-4FS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7239, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_4BrFNS->F", + kinetics = ArrheniusBM(A=(1.11324e+07,'m^3/(mol*s)'), n=0.321362, w0=(421.5,'kJ/mol'), E0=(58.0124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.9648004077239274, var=40.88778571039119, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_4BrFNS->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_4BrFNS->F + Total Standard Deviation in ln(k): 22.780799378653647"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_4BrFNS->F +Total Standard Deviation in ln(k): 22.780799378653647""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_4BrFNS->F +Total Standard Deviation in ln(k): 22.780799378653647 +""", +) + +entry( + index = 7240, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F", + kinetics = ArrheniusBM(A=(1.68869e-05,'m^3/(mol*s)'), n=3.49152, w0=(410.469,'kJ/mol'), E0=(23.2365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2536567862599053, var=2.697200486148191, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F + Total Standard Deviation in ln(k): 3.9297362733983485"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F +Total Standard Deviation in ln(k): 3.9297362733983485""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F +Total Standard Deviation in ln(k): 3.9297362733983485 +""", +) + +entry( + index = 7241, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N", + kinetics = ArrheniusBM(A=(6.87139e-06,'m^3/(mol*s)'), n=3.6007, w0=(403.273,'kJ/mol'), E0=(2.90827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2799403950458877, var=2.640337007972024, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N + Total Standard Deviation in ln(k): 3.9608846772176105"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N +Total Standard Deviation in ln(k): 3.9608846772176105""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N +Total Standard Deviation in ln(k): 3.9608846772176105 +""", +) + +entry( + index = 7242, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N", + kinetics = ArrheniusBM(A=(0.00165165,'m^3/(mol*s)'), n=2.79251, w0=(393,'kJ/mol'), E0=(33.535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11706654519445926, var=2.044524207080031, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N + Total Standard Deviation in ln(k): 3.160644782375262"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N +Total Standard Deviation in ln(k): 3.160644782375262""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N +Total Standard Deviation in ln(k): 3.160644782375262 +""", +) + +entry( + index = 7243, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0", + kinetics = ArrheniusBM(A=(0.000303308,'m^3/(mol*s)'), n=3.0313, w0=(395.8,'kJ/mol'), E0=(30.2448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22400210853015848, var=2.596229440550181, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0 + Total Standard Deviation in ln(k): 3.7930127619876437"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0 +Total Standard Deviation in ln(k): 3.7930127619876437""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0 +Total Standard Deviation in ln(k): 3.7930127619876437 +""", +) + +entry( + index = 7244, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_1CNO->C", + kinetics = ArrheniusBM(A=(2.8,'m^3/(mol*s)'), n=1.94, w0=(398.5,'kJ/mol'), E0=(48.5775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7245, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C", + kinetics = ArrheniusBM(A=(0.0023509,'m^3/(mol*s)'), n=2.75568, w0=(395.125,'kJ/mol'), E0=(26.3154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2571493567883639, var=4.302778925676251, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C + Total Standard Deviation in ln(k): 4.804554120443164"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C +Total Standard Deviation in ln(k): 4.804554120443164""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C +Total Standard Deviation in ln(k): 4.804554120443164 +""", +) + +entry( + index = 7246, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N", + kinetics = ArrheniusBM(A=(0.00808746,'m^3/(mol*s)'), n=2.66525, w0=(386,'kJ/mol'), E0=(20.609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4229249013567171, var=8.12295611556701, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N + Total Standard Deviation in ln(k): 9.288843582136908"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N +Total Standard Deviation in ln(k): 9.288843582136908""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N +Total Standard Deviation in ln(k): 9.288843582136908 +""", +) + +entry( + index = 7247, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N_Ext-3N-R", + kinetics = ArrheniusBM(A=(0.506374,'m^3/(mol*s)'), n=1.87136, w0=(386,'kJ/mol'), E0=(-33.9233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N_Ext-3N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N_Ext-3N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_1NO->N_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7248, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_N-1NO->N", + kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(422.5,'kJ/mol'), E0=(49.594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_N-1NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_N-1NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_1CNO-u0_N-1CNO->C_N-1NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7249, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_N-1CNO-u0", + kinetics = ArrheniusBM(A=(0.000241361,'m^3/(mol*s)'), n=2.85584, w0=(386,'kJ/mol'), E0=(17.0656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05103008020048149, var=3.1640869091728394, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_N-1CNO-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_N-1CNO-u0 + Total Standard Deviation in ln(k): 3.694215071049311"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_N-1CNO-u0 +Total Standard Deviation in ln(k): 3.694215071049311""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_3HN->N_N-1CNO-u0 +Total Standard Deviation in ln(k): 3.694215071049311 +""", +) + +entry( + index = 7250, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N", + kinetics = ArrheniusBM(A=(1.5241e-06,'m^3/(mol*s)'), n=3.93947, w0=(421.25,'kJ/mol'), E0=(16.4163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10834863031502079, var=2.08126429477864, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N + Total Standard Deviation in ln(k): 3.1643813582643525"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N +Total Standard Deviation in ln(k): 3.1643813582643525""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N +Total Standard Deviation in ln(k): 3.1643813582643525 +""", +) + +entry( + index = 7251, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_1CNO->O", + kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(445.5,'kJ/mol'), E0=(63.7419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_1CNO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_1CNO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_1CNO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_1CNO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7252, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O", + kinetics = ArrheniusBM(A=(0.000126977,'m^3/(mol*s)'), n=3.4337, w0=(413.167,'kJ/mol'), E0=(27.4584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8584231477553141, var=0.28144926907848394, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O + Total Standard Deviation in ln(k): 3.2203899738486936"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O +Total Standard Deviation in ln(k): 3.2203899738486936""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O +Total Standard Deviation in ln(k): 3.2203899738486936 +""", +) + +entry( + index = 7253, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_1CN->N", + kinetics = ArrheniusBM(A=(847.001,'m^3/(mol*s)'), n=1.50731, w0=(409,'kJ/mol'), E0=(56.0214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3939450109159433, var=4.62771158110911, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_1CN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_1CN->N + Total Standard Deviation in ln(k): 7.814983861333626"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_1CN->N +Total Standard Deviation in ln(k): 7.814983861333626""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_1CN->N +Total Standard Deviation in ln(k): 7.814983861333626 +""", +) + +entry( + index = 7254, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_N-1CN->N", + kinetics = ArrheniusBM(A=(560,'m^3/(mol*s)'), n=1.5, w0=(421.5,'kJ/mol'), E0=(43.4067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_N-1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_N-1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_4BrNS->N_N-3HN->N_N-1CNO->O_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7255, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N", + kinetics = ArrheniusBM(A=(1.68229e-07,'m^3/(mol*s)'), n=4.09244, w0=(426.3,'kJ/mol'), E0=(25.3973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4482356602389497, var=1.9007681920684776, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N + Total Standard Deviation in ln(k): 3.890115424128679"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N +Total Standard Deviation in ln(k): 3.890115424128679""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N +Total Standard Deviation in ln(k): 3.890115424128679 +""", +) + +entry( + index = 7256, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C", + kinetics = ArrheniusBM(A=(5.36012e-05,'m^3/(mol*s)'), n=3.36033, w0=(421.5,'kJ/mol'), E0=(32.6373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30246274483406016, var=1.046600584685603, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C + Total Standard Deviation in ln(k): 2.810870769210371"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C +Total Standard Deviation in ln(k): 2.810870769210371""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C +Total Standard Deviation in ln(k): 2.810870769210371 +""", +) + +entry( + index = 7257, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_4BrS->Br", + kinetics = ArrheniusBM(A=(0.000168182,'m^3/(mol*s)'), n=3.39884, w0=(421.5,'kJ/mol'), E0=(37.6898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_4BrS->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_4BrS->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_4BrS->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_4BrS->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7258, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_N-4BrS->Br", + kinetics = ArrheniusBM(A=(0.00102262,'m^3/(mol*s)'), n=2.96858, w0=(421.5,'kJ/mol'), E0=(35.4731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6205277574045949, var=0.7547119737099254, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_N-4BrS->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_N-4BrS->Br + Total Standard Deviation in ln(k): 3.300711734148452"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_N-4BrS->Br +Total Standard Deviation in ln(k): 3.300711734148452""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_1CNO->C_N-4BrS->Br +Total Standard Deviation in ln(k): 3.300711734148452 +""", +) + +entry( + index = 7259, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_N-1CNO->C", + kinetics = ArrheniusBM(A=(1.66325e-05,'m^3/(mol*s)'), n=3.64404, w0=(445.5,'kJ/mol'), E0=(26.7491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_N-1CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_N-1CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_3HNO-u1_N-3HNO->O_N-4BrFNS->F_N-4BrNS->N_N-1CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7260, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1", + kinetics = ArrheniusBM(A=(8.96831e-20,'m^3/(mol*s)'), n=7.67558, w0=(430.536,'kJ/mol'), E0=(1.68258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5044834191958628, var=50.409758728375984, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1 + Total Standard Deviation in ln(k): 15.501131266471798"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1 +Total Standard Deviation in ln(k): 15.501131266471798""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1 +Total Standard Deviation in ln(k): 15.501131266471798 +""", +) + +entry( + index = 7261, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O", + kinetics = ArrheniusBM(A=(114.432,'m^3/(mol*s)'), n=1.5494, w0=(459,'kJ/mol'), E0=(150.575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=15.01071917044901, var=589.663171243504, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O + Total Standard Deviation in ln(k): 86.39631880079351"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O +Total Standard Deviation in ln(k): 86.39631880079351""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O +Total Standard Deviation in ln(k): 86.39631880079351 +""", +) + +entry( + index = 7262, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_4BrFNS->N", + kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(459,'kJ/mol'), E0=(151.216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_4BrFNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_4BrFNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_4BrFNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_4BrFNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7263, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_N-4BrFNS->N", + kinetics = ArrheniusBM(A=(7.2e+07,'m^3/(mol*s)'), n=7.13261e-08, w0=(459,'kJ/mol'), E0=(10.5144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_N-4BrFNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_N-4BrFNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_N-4BrFNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_1CNO->O_N-4BrFNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7264, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O", + kinetics = ArrheniusBM(A=(1.19613e-11,'m^3/(mol*s)'), n=5.37864, w0=(425.792,'kJ/mol'), E0=(1.32893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9663408994429908, var=8.346031822655016, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O + Total Standard Deviation in ln(k): 8.219571514396833"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O +Total Standard Deviation in ln(k): 8.219571514396833""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O +Total Standard Deviation in ln(k): 8.219571514396833 +""", +) + +entry( + index = 7265, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_3HNO->N", + kinetics = ArrheniusBM(A=(3.21002e-06,'m^3/(mol*s)'), n=3.69212, w0=(386,'kJ/mol'), E0=(43.8656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03730301965345931, var=0.27630394212722215, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_3HNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_3HNO->N + Total Standard Deviation in ln(k): 1.147507583223804"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_3HNO->N +Total Standard Deviation in ln(k): 1.147507583223804""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_3HNO->N +Total Standard Deviation in ln(k): 1.147507583223804 +""", +) + +entry( + index = 7266, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N", + kinetics = ArrheniusBM(A=(1.21585e-10,'m^3/(mol*s)'), n=5.12202, w0=(433.75,'kJ/mol'), E0=(0.0144756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5339583470152081, var=12.951666067140783, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N + Total Standard Deviation in ln(k): 8.556329330270549"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N +Total Standard Deviation in ln(k): 8.556329330270549""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N +Total Standard Deviation in ln(k): 8.556329330270549 +""", +) + +entry( + index = 7267, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N", + kinetics = ArrheniusBM(A=(1.44348e-10,'m^3/(mol*s)'), n=5.09708, w0=(428.75,'kJ/mol'), E0=(7.84192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32756863804493574, var=25.344307106233686, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N + Total Standard Deviation in ln(k): 10.915500585787807"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N +Total Standard Deviation in ln(k): 10.915500585787807""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N +Total Standard Deviation in ln(k): 10.915500585787807 +""", +) + +entry( + index = 7268, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_1CN->N", + kinetics = ArrheniusBM(A=(670,'m^3/(mol*s)'), n=1.5, w0=(422.5,'kJ/mol'), E0=(76.6434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7269, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_N-1CN->N", + kinetics = ArrheniusBM(A=(400,'m^3/(mol*s)'), n=1.5, w0=(435,'kJ/mol'), E0=(40.0042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_N-1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_N-1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_4BrFNS->N_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7270, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N", + kinetics = ArrheniusBM(A=(1.0977e-07,'m^3/(mol*s)'), n=4.40959, w0=(435,'kJ/mol'), E0=(21.9674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03707477003357471, var=0.7085251192431251, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N + Total Standard Deviation in ln(k): 1.7806170727094202"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N +Total Standard Deviation in ln(k): 1.7806170727094202""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N +Total Standard Deviation in ln(k): 1.7806170727094202 +""", +) + +entry( + index = 7271, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_4BrF->Br", + kinetics = ArrheniusBM(A=(0.0566667,'m^3/(mol*s)'), n=2.33, w0=(435,'kJ/mol'), E0=(22.7795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_4BrF->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_4BrF->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_4BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_4BrF->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7272, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br", + kinetics = ArrheniusBM(A=(3.60482e-08,'m^3/(mol*s)'), n=4.55901, w0=(435,'kJ/mol'), E0=(21.0335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023683106447138808, var=0.6910541533435781, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br + Total Standard Deviation in ln(k): 1.726034886398061"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br +Total Standard Deviation in ln(k): 1.726034886398061""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br +Total Standard Deviation in ln(k): 1.726034886398061 +""", +) + +entry( + index = 7273, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R", + kinetics = ArrheniusBM(A=(4.65758e-09,'m^3/(mol*s)'), n=4.82817, w0=(435,'kJ/mol'), E0=(19.1533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004530175422761598, var=0.5134763398800011, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R + Total Standard Deviation in ln(k): 1.4479206453040832"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R +Total Standard Deviation in ln(k): 1.4479206453040832""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R +Total Standard Deviation in ln(k): 1.4479206453040832 +""", +) + +entry( + index = 7274, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_5R!H->C", + kinetics = ArrheniusBM(A=(7.75762e-07,'m^3/(mol*s)'), n=4.14217, w0=(435,'kJ/mol'), E0=(24.0812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7275, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(8.7404e-07,'m^3/(mol*s)'), n=4.19969, w0=(435,'kJ/mol'), E0=(25.5731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0816090254720209, var=0.7807886066679763, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C + Total Standard Deviation in ln(k): 1.9764766922130876"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.9764766922130876""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C +Total Standard Deviation in ln(k): 1.9764766922130876 +""", +) + +entry( + index = 7276, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(1.36402e-06,'m^3/(mol*s)'), n=4.13436, w0=(435,'kJ/mol'), E0=(26.2643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_5BrClFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7277, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O", + kinetics = ArrheniusBM(A=(4.9281e-07,'m^3/(mol*s)'), n=4.27954, w0=(435,'kJ/mol'), E0=(24.7676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2440113352442856, var=6.061740194316138, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O + Total Standard Deviation in ln(k): 8.061434971501512"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 8.061434971501512""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O +Total Standard Deviation in ln(k): 8.061434971501512 +""", +) + +entry( + index = 7278, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O_Ext-1CN-R", + kinetics = ArrheniusBM(A=(1.73985e-09,'m^3/(mol*s)'), n=5.04532, w0=(435,'kJ/mol'), E0=(19.8528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O_Ext-1CN-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O_Ext-1CN-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_4BrCFNS-u0_N-4BrCFNS->C_N-3BrHNO->Br_N-3HNO-u1_N-1CNO->O_N-3HNO->N_N-4BrFNS->N_N-4BrF->Br_Ext-1CN-R_N-5R!H->C_N-5BrClFINOPSSi->O_Ext-1CN-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7279, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_N-4BrCFNS-u0", + kinetics = ArrheniusBM(A=(4.98572e-07,'m^3/(mol*s)'), n=3.83873, w0=(386,'kJ/mol'), E0=(54.9482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.00120049473475254, var=8.738799823632913, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_N-4BrCFNS-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_N-4BrCFNS-u0 + Total Standard Deviation in ln(k): 5.929306119036303"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_N-4BrCFNS-u0 +Total Standard Deviation in ln(k): 5.929306119036303""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_Sp-4R!H-1R_N-3BrClHINOS->Cl_N-1R->S_N-4R!H->Cl_N-3BrHINOS->S_N-3BrHINO->I_N-4BrCFNOS->O_N-4BrCFNS-u0 +Total Standard Deviation in ln(k): 5.929306119036303 +""", +) + +entry( + index = 7280, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R", + kinetics = ArrheniusBM(A=(1.84941e+16,'m^3/(mol*s)'), n=-2.49409, w0=(416.874,'kJ/mol'), E0=(62.7156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07339938172412551, var=31.232611760766762, Tref=1000.0, N=159, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R',), comment="""BM rule fitted to 159 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R + Total Standard Deviation in ln(k): 11.388112031059809"""), + rank = 11, + shortDesc = """BM rule fitted to 159 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R +Total Standard Deviation in ln(k): 11.388112031059809""", + longDesc = +""" +BM rule fitted to 159 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R +Total Standard Deviation in ln(k): 11.388112031059809 +""", +) + +entry( + index = 7281, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R", + kinetics = ArrheniusBM(A=(7.31761e+28,'m^3/(mol*s)'), n=-5.92805, w0=(427.429,'kJ/mol'), E0=(93.312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7342243254645546, var=33.987513371694256, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R + Total Standard Deviation in ln(k): 13.532151829400169"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R +Total Standard Deviation in ln(k): 13.532151829400169""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R +Total Standard Deviation in ln(k): 13.532151829400169 +""", +) + +entry( + index = 7282, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N", + kinetics = ArrheniusBM(A=(8.06905e+28,'m^3/(mol*s)'), n=-5.94081, w0=(427.062,'kJ/mol'), E0=(93.3734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7351618975530148, var=34.0666374559611, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N + Total Standard Deviation in ln(k): 13.548103923115201"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N +Total Standard Deviation in ln(k): 13.548103923115201""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N +Total Standard Deviation in ln(k): 13.548103923115201 +""", +) + +entry( + index = 7283, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(4.22214e+20,'m^3/(mol*s)'), n=-3.53705, w0=(424.417,'kJ/mol'), E0=(94.0144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3354965287827737, var=18.50431656919877, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1 + Total Standard Deviation in ln(k): 9.46665360676645"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 9.46665360676645""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 9.46665360676645 +""", +) + +entry( + index = 7284, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_3BrClHINOS->N", + kinetics = ArrheniusBM(A=(3.46084e+08,'m^3/(mol*s)'), n=-0.551898, w0=(398.5,'kJ/mol'), E0=(19.9778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_3BrClHINOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_3BrClHINOS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_3BrClHINOS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_3BrClHINOS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7285, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N", + kinetics = ArrheniusBM(A=(5.43716e+20,'m^3/(mol*s)'), n=-3.5377, w0=(429.6,'kJ/mol'), E0=(96.1856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2797945795692479, var=22.297016143507996, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N + Total Standard Deviation in ln(k): 10.169303631968653"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N +Total Standard Deviation in ln(k): 10.169303631968653""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N +Total Standard Deviation in ln(k): 10.169303631968653 +""", +) + +entry( + index = 7286, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_3HO->O", + kinetics = ArrheniusBM(A=(4.75318e+07,'m^3/(mol*s)'), n=0.144776, w0=(435,'kJ/mol'), E0=(77.6639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43838176203248796, var=6.395604018578751, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_3HO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_3HO->O + Total Standard Deviation in ln(k): 6.171342796073832"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_3HO->O +Total Standard Deviation in ln(k): 6.171342796073832""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_3HO->O +Total Standard Deviation in ln(k): 6.171342796073832 +""", +) + +entry( + index = 7287, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_N-3HO->O", + kinetics = ArrheniusBM(A=(6.50018e+07,'m^3/(mol*s)'), n=0.231829, w0=(421.5,'kJ/mol'), E0=(40.4112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0620286793670755, var=6.471633408529954, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_N-3HO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_N-3HO->O + Total Standard Deviation in ln(k): 7.76834057796052"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_N-3HO->O +Total Standard Deviation in ln(k): 7.76834057796052""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_3BrClHINOS-u1_N-3BrClHINOS->N_N-3HO->O +Total Standard Deviation in ln(k): 7.76834057796052 +""", +) + +entry( + index = 7288, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_N-3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(7.58344e+27,'m^3/(mol*s)'), n=-5.71727, w0=(435,'kJ/mol'), E0=(-7.01995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9984838866742879, var=0.22374421470085257, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_N-3BrClHINOS-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_N-3BrClHINOS-u1 + Total Standard Deviation in ln(k): 3.4570254177072766"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 3.4570254177072766""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_4R!H->N_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 3.4570254177072766 +""", +) + +entry( + index = 7289, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N", + kinetics = ArrheniusBM(A=(8.7768e+10,'m^3/(mol*s)'), n=-0.401622, w0=(427.917,'kJ/mol'), E0=(76.5777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1722549801954349, var=33.234088989114454, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N + Total Standard Deviation in ln(k): 11.989901657676963"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N +Total Standard Deviation in ln(k): 11.989901657676963""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N +Total Standard Deviation in ln(k): 11.989901657676963 +""", +) + +entry( + index = 7290, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O", + kinetics = ArrheniusBM(A=(4.49896e+46,'m^3/(mol*s)'), n=-11.3351, w0=(435,'kJ/mol'), E0=(215.138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.8653435256609985, var=335.88003785312145, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O + Total Standard Deviation in ln(k): 43.94019600250923"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O +Total Standard Deviation in ln(k): 43.94019600250923""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O +Total Standard Deviation in ln(k): 43.94019600250923 +""", +) + +entry( + index = 7291, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(3.66683e+15,'m^3/(mol*s)'), n=-2.44541, w0=(435,'kJ/mol'), E0=(25.6634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6596287611870122, var=8.574692067498018, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R + Total Standard Deviation in ln(k): 7.527739250134869"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 7.527739250134869""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 7.527739250134869 +""", +) + +entry( + index = 7292, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_5R!H->C", + kinetics = ArrheniusBM(A=(3.29426e+09,'m^3/(mol*s)'), n=-0.642091, w0=(435,'kJ/mol'), E0=(36.7973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7293, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(3.41816e+22,'m^3/(mol*s)'), n=-4.51318, w0=(435,'kJ/mol'), E0=(63.4333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_3BrClHINOS->O_Ext-3O-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7294, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O", + kinetics = ArrheniusBM(A=(8443.4,'m^3/(mol*s)'), n=1.6914, w0=(420.833,'kJ/mol'), E0=(49.5722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15296160339491727, var=1.1864657719250906, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O + Total Standard Deviation in ln(k): 2.5679835124427974"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 2.5679835124427974""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 2.5679835124427974 +""", +) + +entry( + index = 7295, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_3ClHN->Cl", + kinetics = ArrheniusBM(A=(5.46674,'m^3/(mol*s)'), n=2.69009, w0=(419.5,'kJ/mol'), E0=(35.284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_3ClHN->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_3ClHN->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_3ClHN->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_3ClHN->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7296, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl", + kinetics = ArrheniusBM(A=(1941.85,'m^3/(mol*s)'), n=1.79565, w0=(421.5,'kJ/mol'), E0=(45.7206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5488647581370591, var=1.271727213683845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl + Total Standard Deviation in ln(k): 3.639814637324579"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl +Total Standard Deviation in ln(k): 3.639814637324579""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl +Total Standard Deviation in ln(k): 3.639814637324579 +""", +) + +entry( + index = 7297, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl_Ext-4COS-R", + kinetics = ArrheniusBM(A=(1031.95,'m^3/(mol*s)'), n=1.89666, w0=(421.5,'kJ/mol'), E0=(45.7479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl_Ext-4COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl_Ext-4COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl_Ext-4COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_Sp-4R!H#1R_N-4R!H->N_N-3BrClHINOS->O_N-3ClHN->Cl_Ext-4COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7298, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R", + kinetics = ArrheniusBM(A=(1.39242e+14,'m^3/(mol*s)'), n=-1.93989, w0=(415.855,'kJ/mol'), E0=(57.8968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27214602140343075, var=40.07125728995667, Tref=1000.0, N=145, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R',), comment="""BM rule fitted to 145 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R + Total Standard Deviation in ln(k): 13.374130289138208"""), + rank = 11, + shortDesc = """BM rule fitted to 145 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R +Total Standard Deviation in ln(k): 13.374130289138208""", + longDesc = +""" +BM rule fitted to 145 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R +Total Standard Deviation in ln(k): 13.374130289138208 +""", +) + +entry( + index = 7299, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O", + kinetics = ArrheniusBM(A=(416177,'m^3/(mol*s)'), n=0.525307, w0=(418.413,'kJ/mol'), E0=(28.7472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9234347384992154, var=22.037227156272845, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O + Total Standard Deviation in ln(k): 14.243743885044786"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O +Total Standard Deviation in ln(k): 14.243743885044786""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O +Total Standard Deviation in ln(k): 14.243743885044786 +""", +) + +entry( + index = 7300, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H", + kinetics = ArrheniusBM(A=(1.11858e+08,'m^3/(mol*s)'), n=0.0336299, w0=(413.167,'kJ/mol'), E0=(78.9024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12856000092270012, var=1.153392814281387, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H + Total Standard Deviation in ln(k): 2.4760229119269446"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H +Total Standard Deviation in ln(k): 2.4760229119269446""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H +Total Standard Deviation in ln(k): 2.4760229119269446 +""", +) + +entry( + index = 7301, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_1R->C", + kinetics = ArrheniusBM(A=(0.218292,'m^3/(mol*s)'), n=2.59153, w0=(421.5,'kJ/mol'), E0=(168.188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7302, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_N-1R->C", + kinetics = ArrheniusBM(A=(449598,'m^3/(mol*s)'), n=0.72, w0=(409,'kJ/mol'), E0=(65.1976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004232282661683373, var=8.228231698210571e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_N-1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_N-1R->C + Total Standard Deviation in ln(k): 0.028818747915510153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_N-1R->C +Total Standard Deviation in ln(k): 0.028818747915510153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_3BrClHINOS->H_N-1R->C +Total Standard Deviation in ln(k): 0.028818747915510153 +""", +) + +entry( + index = 7303, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H", + kinetics = ArrheniusBM(A=(217946,'m^3/(mol*s)'), n=0.584648, w0=(419.2,'kJ/mol'), E0=(26.825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.2812988441103905, var=27.49650979492112, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H + Total Standard Deviation in ln(k): 16.24415892764092"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H +Total Standard Deviation in ln(k): 16.24415892764092""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H +Total Standard Deviation in ln(k): 16.24415892764092 +""", +) + +entry( + index = 7304, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N", + kinetics = ArrheniusBM(A=(62.2252,'m^3/(mol*s)'), n=1.39808, w0=(389.125,'kJ/mol'), E0=(58.6065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6137953204755258, var=5.784453768952656, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N + Total Standard Deviation in ln(k): 6.363765859897445"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N +Total Standard Deviation in ln(k): 6.363765859897445""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N +Total Standard Deviation in ln(k): 6.363765859897445 +""", +) + +entry( + index = 7305, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_1R->C", + kinetics = ArrheniusBM(A=(6.96396e-06,'m^3/(mol*s)'), n=3.87226, w0=(398.5,'kJ/mol'), E0=(43.8602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7306, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C", + kinetics = ArrheniusBM(A=(452128,'m^3/(mol*s)'), n=0.247888, w0=(386,'kJ/mol'), E0=(79.8963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1846143674347198, var=6.370063125923829, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C + Total Standard Deviation in ln(k): 8.03616565987104"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C +Total Standard Deviation in ln(k): 8.03616565987104""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C +Total Standard Deviation in ln(k): 8.03616565987104 +""", +) + +entry( + index = 7307, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C_Ext-3N-R", + kinetics = ArrheniusBM(A=(0.0835358,'m^3/(mol*s)'), n=1.89757, w0=(386,'kJ/mol'), E0=(23.6749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C_Ext-3N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C_Ext-3N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_3BrClINOS->N_N-1R->C_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7308, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N", + kinetics = ArrheniusBM(A=(1.7446e+08,'m^3/(mol*s)'), n=-0.218592, w0=(426.719,'kJ/mol'), E0=(35.9512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.29445891988685, var=27.637337490999688, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N + Total Standard Deviation in ln(k): 16.304110139858007"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N +Total Standard Deviation in ln(k): 16.304110139858007""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N +Total Standard Deviation in ln(k): 16.304110139858007 +""", +) + +entry( + index = 7309, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_3BrClO->Cl", + kinetics = ArrheniusBM(A=(2.43898e+07,'m^3/(mol*s)'), n=4.24315e-09, w0=(419.5,'kJ/mol'), E0=(17.0993,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0903777693144615, var=0.02229461319975783, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_3BrClO->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_3BrClO->Cl + Total Standard Deviation in ln(k): 0.5264144504342413"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_3BrClO->Cl +Total Standard Deviation in ln(k): 0.5264144504342413""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_3BrClO->Cl +Total Standard Deviation in ln(k): 0.5264144504342413 +""", +) + +entry( + index = 7310, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl", + kinetics = ArrheniusBM(A=(203010,'m^3/(mol*s)'), n=0.673822, w0=(428.385,'kJ/mol'), E0=(66.087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.614040526086373, var=5.059139199495089, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl + Total Standard Deviation in ln(k): 6.051971842263321"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl +Total Standard Deviation in ln(k): 6.051971842263321""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl +Total Standard Deviation in ln(k): 6.051971842263321 +""", +) + +entry( + index = 7311, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C", + kinetics = ArrheniusBM(A=(7.94423e+11,'m^3/(mol*s)'), n=-1.49218, w0=(430.15,'kJ/mol'), E0=(74.706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7289822515225575, var=31.425810655728185, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C + Total Standard Deviation in ln(k): 15.582466497041832"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C +Total Standard Deviation in ln(k): 15.582466497041832""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C +Total Standard Deviation in ln(k): 15.582466497041832 +""", +) + +entry( + index = 7312, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_3BrO->Br", + kinetics = ArrheniusBM(A=(5.1e+06,'m^3/(mol*s)'), n=-3.0599e-08, w0=(386.5,'kJ/mol'), E0=(4.28423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_3BrO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_3BrO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_3BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_3BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7313, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br", + kinetics = ArrheniusBM(A=(9.80755e+11,'m^3/(mol*s)'), n=-1.51843, w0=(435,'kJ/mol'), E0=(75.4046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7177395101010011, var=30.108067889675365, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br + Total Standard Deviation in ln(k): 15.316073995330735"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br +Total Standard Deviation in ln(k): 15.316073995330735""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br +Total Standard Deviation in ln(k): 15.316073995330735 +""", +) + +entry( + index = 7314, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1", + kinetics = ArrheniusBM(A=(9.76156e+11,'m^3/(mol*s)'), n=-1.51919, w0=(435,'kJ/mol'), E0=(75.5656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7176755771133791, var=30.682973282346463, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1 + Total Standard Deviation in ln(k): 15.42043914484963"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1 +Total Standard Deviation in ln(k): 15.42043914484963""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1 +Total Standard Deviation in ln(k): 15.42043914484963 +""", +) + +entry( + index = 7315, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(4.69294e+11,'m^3/(mol*s)'), n=-1.43094, w0=(435,'kJ/mol'), E0=(74.884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4541773804946065, var=43.22038730123435, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 16.83328430188443"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 16.83328430188443""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 16.83328430188443 +""", +) + +entry( + index = 7316, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(7.90997e-12,'m^3/(mol*s)'), n=5.01939, w0=(435,'kJ/mol'), E0=(6.42369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.023868791256839, var=15.150064260025104, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 12.88814453864817"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 12.88814453864817""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 12.88814453864817 +""", +) + +entry( + index = 7317, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_5R!H->N", + kinetics = ArrheniusBM(A=(2.67283e-13,'m^3/(mol*s)'), n=5.3888, w0=(435,'kJ/mol'), E0=(4.68206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7318, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N", + kinetics = ArrheniusBM(A=(2.86524e-05,'m^3/(mol*s)'), n=3.31146, w0=(435,'kJ/mol'), E0=(17.2228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18493975942618013, var=7.2429929582632235, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N + Total Standard Deviation in ln(k): 5.859978013869922"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N +Total Standard Deviation in ln(k): 5.859978013869922""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N +Total Standard Deviation in ln(k): 5.859978013869922 +""", +) + +entry( + index = 7319, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_5BrCClO->Br", + kinetics = ArrheniusBM(A=(0.0020147,'m^3/(mol*s)'), n=2.806, w0=(435,'kJ/mol'), E0=(6.92038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_5BrCClO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_5BrCClO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_5BrCClO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_5BrCClO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7320, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br", + kinetics = ArrheniusBM(A=(9.40056e-10,'m^3/(mol*s)'), n=4.57582, w0=(435,'kJ/mol'), E0=(9.81276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3945436238661426, var=9.032576142693095, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br + Total Standard Deviation in ln(k): 9.528958275313077"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br +Total Standard Deviation in ln(k): 9.528958275313077""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br +Total Standard Deviation in ln(k): 9.528958275313077 +""", +) + +entry( + index = 7321, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_5CClO->Cl", + kinetics = ArrheniusBM(A=(1.39894e-06,'m^3/(mol*s)'), n=3.71684, w0=(435,'kJ/mol'), E0=(21.4579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_5CClO->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_5CClO->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_5CClO->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_5CClO->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7322, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl", + kinetics = ArrheniusBM(A=(1.45574e-08,'m^3/(mol*s)'), n=3.92823, w0=(435,'kJ/mol'), E0=(5.56231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04421309976989843, var=13.64080055806795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl + Total Standard Deviation in ln(k): 7.5152673520075"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl +Total Standard Deviation in ln(k): 7.5152673520075""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl +Total Standard Deviation in ln(k): 7.5152673520075 +""", +) + +entry( + index = 7323, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_5CO->C", + kinetics = ArrheniusBM(A=(51000,'m^3/(mol*s)'), n=4.55524e-08, w0=(435,'kJ/mol'), E0=(39.2259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7324, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_N-5CO->C", + kinetics = ArrheniusBM(A=(0.0206,'m^3/(mol*s)'), n=2.5, w0=(435,'kJ/mol'), E0=(39.5241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_N-5CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_N-5CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->N_N-5BrCClO->Br_N-5CClO->Cl_N-5CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7325, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(1936.16,'m^3/(mol*s)'), n=1.50054, w0=(435,'kJ/mol'), E0=(33.2582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7326, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_N-3O-u1", + kinetics = ArrheniusBM(A=(208000,'m^3/(mol*s)'), n=0.57, w0=(435,'kJ/mol'), E0=(34.7269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_N-3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_N-3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_1R->C_N-3BrO->Br_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7327, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C", + kinetics = ArrheniusBM(A=(85926.3,'m^3/(mol*s)'), n=0.796548, w0=(422.5,'kJ/mol'), E0=(65.0682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.941860297166735, var=11.8682354251362, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C + Total Standard Deviation in ln(k): 11.785419540061275"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C +Total Standard Deviation in ln(k): 11.785419540061275""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C +Total Standard Deviation in ln(k): 11.785419540061275 +""", +) + +entry( + index = 7328, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1", + kinetics = ArrheniusBM(A=(10025.3,'m^3/(mol*s)'), n=0.999133, w0=(422.5,'kJ/mol'), E0=(62.6034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0820608068602344, var=1.4920118303262742, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1 + Total Standard Deviation in ln(k): 2.654925453921301"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1 +Total Standard Deviation in ln(k): 2.654925453921301""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1 +Total Standard Deviation in ln(k): 2.654925453921301 +""", +) + +entry( + index = 7329, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1_Ext-3BrO-R", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=-4.65784e-10, w0=(422.5,'kJ/mol'), E0=(67.5953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1_Ext-3BrO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1_Ext-3BrO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1_Ext-3BrO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_3BrO-u1_Ext-3BrO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7330, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_N-3BrO-u1", + kinetics = ArrheniusBM(A=(450000,'m^3/(mol*s)'), n=0.72, w0=(422.5,'kJ/mol'), E0=(64.0579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_N-3BrO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_N-3BrO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->N_N-3BrClO->Cl_N-1R->C_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7331, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O", + kinetics = ArrheniusBM(A=(4.13276e+20,'m^3/(mol*s)'), n=-3.7982, w0=(415.373,'kJ/mol'), E0=(74.8137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41752659395945646, var=52.92123470178595, Tref=1000.0, N=122, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O',), comment="""BM rule fitted to 122 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O + Total Standard Deviation in ln(k): 15.632904563191328"""), + rank = 11, + shortDesc = """BM rule fitted to 122 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O +Total Standard Deviation in ln(k): 15.632904563191328""", + longDesc = +""" +BM rule fitted to 122 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O +Total Standard Deviation in ln(k): 15.632904563191328 +""", +) + +entry( + index = 7332, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H", + kinetics = ArrheniusBM(A=(0.000755249,'m^3/(mol*s)'), n=3.22169, w0=(419.662,'kJ/mol'), E0=(31.3642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35195988014925816, var=2.24012568982929, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H + Total Standard Deviation in ln(k): 3.884818208945198"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H +Total Standard Deviation in ln(k): 3.884818208945198""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H +Total Standard Deviation in ln(k): 3.884818208945198 +""", +) + +entry( + index = 7333, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N", + kinetics = ArrheniusBM(A=(4.91378,'m^3/(mol*s)'), n=2.04087, w0=(415.25,'kJ/mol'), E0=(38.5775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9676405767976723, var=3.3422650612628124, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N + Total Standard Deviation in ln(k): 6.09628688698202"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N +Total Standard Deviation in ln(k): 6.09628688698202""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N +Total Standard Deviation in ln(k): 6.09628688698202 +""", +) + +entry( + index = 7334, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_1R->C", + kinetics = ArrheniusBM(A=(300,'m^3/(mol*s)'), n=1.5, w0=(421.5,'kJ/mol'), E0=(41.4107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7335, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_N-1R->C", + kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(409,'kJ/mol'), E0=(64.2556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_4CNS->N_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7336, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N", + kinetics = ArrheniusBM(A=(1.08463e-10,'m^3/(mol*s)'), n=5.19941, w0=(419.938,'kJ/mol'), E0=(11.9319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14211802366829335, var=2.175779935199475, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N + Total Standard Deviation in ln(k): 3.314169988261407"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N +Total Standard Deviation in ln(k): 3.314169988261407""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N +Total Standard Deviation in ln(k): 3.314169988261407 +""", +) + +entry( + index = 7337, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing", + kinetics = ArrheniusBM(A=(5.5307e-12,'m^3/(mol*s)'), n=5.56517, w0=(418.868,'kJ/mol'), E0=(5.66658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37759971945820153, var=1.6222795704850212, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing + Total Standard Deviation in ln(k): 3.5021488044740856"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing +Total Standard Deviation in ln(k): 3.5021488044740856""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing +Total Standard Deviation in ln(k): 3.5021488044740856 +""", +) + +entry( + index = 7338, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R", + kinetics = ArrheniusBM(A=(6.6522e-09,'m^3/(mol*s)'), n=4.56091, w0=(418.615,'kJ/mol'), E0=(12.3381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08004691173979635, var=1.268827713843086, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R + Total Standard Deviation in ln(k): 2.4593016496757483"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R +Total Standard Deviation in ln(k): 2.4593016496757483""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R +Total Standard Deviation in ln(k): 2.4593016496757483 +""", +) + +entry( + index = 7339, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.000770608,'m^3/(mol*s)'), n=3.16703, w0=(419.938,'kJ/mol'), E0=(41.3558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13805370139674633, var=2.247790295487954, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C + Total Standard Deviation in ln(k): 3.352494225793886"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C +Total Standard Deviation in ln(k): 3.352494225793886""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C +Total Standard Deviation in ln(k): 3.352494225793886 +""", +) + +entry( + index = 7340, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R", + kinetics = ArrheniusBM(A=(0.000726085,'m^3/(mol*s)'), n=3.19148, w0=(421.5,'kJ/mol'), E0=(5.09687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03816909147502388, var=16.7714287453837, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R + Total Standard Deviation in ln(k): 8.305880745675635"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R +Total Standard Deviation in ln(k): 8.305880745675635""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R +Total Standard Deviation in ln(k): 8.305880745675635 +""", +) + +entry( + index = 7341, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_6R!H->F", + kinetics = ArrheniusBM(A=(2.5e+07,'m^3/(mol*s)'), n=2.19522e-08, w0=(421.5,'kJ/mol'), E0=(43.9049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7342, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_N-6R!H->F", + kinetics = ArrheniusBM(A=(4e+08,'m^3/(mol*s)'), n=5.54559e-08, w0=(421.5,'kJ/mol'), E0=(42.8767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_N-6R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_N-6R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_Ext-4CS-R_N-6R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7343, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C", + kinetics = ArrheniusBM(A=(2.27275e-06,'m^3/(mol*s)'), n=3.89287, w0=(421.5,'kJ/mol'), E0=(37.3869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008561155176294036, var=0.8625122166938536, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C + Total Standard Deviation in ln(k): 1.883338695787828"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C +Total Standard Deviation in ln(k): 1.883338695787828""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C +Total Standard Deviation in ln(k): 1.883338695787828 +""", +) + +entry( + index = 7344, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.9335,'m^3/(mol*s)'), n=2.242, w0=(421.5,'kJ/mol'), E0=(46.2639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_1R->C_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7345, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_N-1R->C", + kinetics = ArrheniusBM(A=(11.9,'m^3/(mol*s)'), n=1.96, w0=(409,'kJ/mol'), E0=(33.8328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_5R!H->C_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7346, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00822122,'m^3/(mol*s)'), n=2.80692, w0=(416.5,'kJ/mol'), E0=(28.2246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08190371007205627, var=1.0636534887672857, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C + Total Standard Deviation in ln(k): 2.2733432287239173"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.2733432287239173""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.2733432287239173 +""", +) + +entry( + index = 7347, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(0.156519,'m^3/(mol*s)'), n=2.72457, w0=(421.5,'kJ/mol'), E0=(39.8304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06169534582066253, var=1.4974746264507948, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 2.608234724954411"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 2.608234724954411""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 2.608234724954411 +""", +) + +entry( + index = 7348, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-4CS-R", + kinetics = ArrheniusBM(A=(0.0102735,'m^3/(mol*s)'), n=3.1187, w0=(421.5,'kJ/mol'), E0=(36.234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-4CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-4CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-4CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_5BrClFINOPSSi->F_Ext-4CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7349, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F", + kinetics = ArrheniusBM(A=(0.00283294,'m^3/(mol*s)'), n=2.93508, w0=(413.167,'kJ/mol'), E0=(26.9091,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04858293582314388, var=1.1023280478662707, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F + Total Standard Deviation in ln(k): 2.2268753511560915"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 2.2268753511560915""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F +Total Standard Deviation in ln(k): 2.2268753511560915 +""", +) + +entry( + index = 7350, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_1R->C", + kinetics = ArrheniusBM(A=(0.001281,'m^3/(mol*s)'), n=3.35907, w0=(421.5,'kJ/mol'), E0=(32.6701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7351, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-1R->C", + kinetics = ArrheniusBM(A=(0.00189493,'m^3/(mol*s)'), n=2.98258, w0=(409,'kJ/mol'), E0=(26.4044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028926422964465754, var=1.1103320911188255, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-1R->C + Total Standard Deviation in ln(k): 2.1851148484239924"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 2.1851148484239924""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_Ext-4CS-R_N-5R!H->C_N-5BrClFINOPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 2.1851148484239924 +""", +) + +entry( + index = 7352, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C", + kinetics = ArrheniusBM(A=(6.02968e-05,'m^3/(mol*s)'), n=3.61966, w0=(421.5,'kJ/mol'), E0=(31.8044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5433271030221276, var=1.221567185503965, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C + Total Standard Deviation in ln(k): 3.580867508148979"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C +Total Standard Deviation in ln(k): 3.580867508148979""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C +Total Standard Deviation in ln(k): 3.580867508148979 +""", +) + +entry( + index = 7353, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_4CS->C", + kinetics = ArrheniusBM(A=(6.05639e-05,'m^3/(mol*s)'), n=3.61905, w0=(421.5,'kJ/mol'), E0=(31.8002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8284814749473521, var=1.7813573665106075, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_4CS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_4CS->C + Total Standard Deviation in ln(k): 4.757281543695199"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_4CS->C +Total Standard Deviation in ln(k): 4.757281543695199""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_4CS->C +Total Standard Deviation in ln(k): 4.757281543695199 +""", +) + +entry( + index = 7354, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_N-4CS->C", + kinetics = ArrheniusBM(A=(7.81432e-08,'m^3/(mol*s)'), n=4.58373, w0=(421.5,'kJ/mol'), E0=(46.7156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0038148128759216966, var=0.025923380075033562, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_N-4CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_N-4CS->C + Total Standard Deviation in ln(k): 0.3323621221692428"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_N-4CS->C +Total Standard Deviation in ln(k): 0.3323621221692428""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_1R->C_N-4CS->C +Total Standard Deviation in ln(k): 0.3323621221692428 +""", +) + +entry( + index = 7355, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_N-1R->C", + kinetics = ArrheniusBM(A=(240,'m^3/(mol*s)'), n=1.5, w0=(409,'kJ/mol'), E0=(59.8062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_N-1R-inRing_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7356, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS", + kinetics = ArrheniusBM(A=(76.3633,'m^3/(mol*s)'), n=1.86863, w0=(421.5,'kJ/mol'), E0=(43.1248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.012501102232290943, var=0.6258101874089339, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS + Total Standard Deviation in ln(k): 1.6173189506727428"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS +Total Standard Deviation in ln(k): 1.6173189506727428""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS +Total Standard Deviation in ln(k): 1.6173189506727428 +""", +) + +entry( + index = 7357, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(55.4,'m^3/(mol*s)'), n=1.901, w0=(421.5,'kJ/mol'), E0=(39.7882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7358, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(67.25,'m^3/(mol*s)'), n=1.892, w0=(421.5,'kJ/mol'), E0=(45.9117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Sp-5R!H-4CS_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7359, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS", + kinetics = ArrheniusBM(A=(153.961,'m^3/(mol*s)'), n=1.78249, w0=(421.5,'kJ/mol'), E0=(28.9328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05208935649724405, var=1.9787628514021007, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS + Total Standard Deviation in ln(k): 2.950908658051224"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS +Total Standard Deviation in ln(k): 2.950908658051224""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS +Total Standard Deviation in ln(k): 2.950908658051224 +""", +) + +entry( + index = 7360, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(94.9959,'m^3/(mol*s)'), n=1.8076, w0=(421.5,'kJ/mol'), E0=(8.7649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7361, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(27.3984,'m^3/(mol*s)'), n=2.00531, w0=(421.5,'kJ/mol'), E0=(29.7071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.061175216822399035, var=2.059990239380443, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 3.0310358917337816"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 3.0310358917337816""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 3.0310358917337816 +""", +) + +entry( + index = 7362, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(51.7529,'m^3/(mol*s)'), n=1.67682, w0=(421.5,'kJ/mol'), E0=(7.48419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-8R!H-7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7363, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H", + kinetics = ArrheniusBM(A=(50.6738,'m^3/(mol*s)'), n=2.00312, w0=(421.5,'kJ/mol'), E0=(34.661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11712824692210255, var=3.047325789718954, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H + Total Standard Deviation in ln(k): 3.793876163935543"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 3.793876163935543""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H +Total Standard Deviation in ln(k): 3.793876163935543 +""", +) + +entry( + index = 7364, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(519.207,'m^3/(mol*s)'), n=1.6992, w0=(421.5,'kJ/mol'), E0=(30.586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6809157649895176, var=8.324875131397764, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 7.49507762394366"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.49507762394366""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 7.49507762394366 +""", +) + +entry( + index = 7365, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.27629,'m^3/(mol*s)'), n=2.46644, w0=(421.5,'kJ/mol'), E0=(37.3899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004531244336651353, var=2.1089301872537236, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.922692615765208"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.922692615765208""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Int-8R!H-6R!H_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.922692615765208 +""", +) + +entry( + index = 7366, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-4CS-R", + kinetics = ArrheniusBM(A=(1.27249,'m^3/(mol*s)'), n=2.46907, w0=(421.5,'kJ/mol'), E0=(36.4621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017227794318736694, var=2.004136019895919, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-4CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-4CS-R + Total Standard Deviation in ln(k): 2.881339468582912"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-4CS-R +Total Standard Deviation in ln(k): 2.881339468582912""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_3BrClHINOS->H_N-4CNS->N_Ext-4CS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_N-Sp-5R!H-4CS_N-Sp-6R!H-5R!H_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-8R!H-7R!H_Ext-4CS-R +Total Standard Deviation in ln(k): 2.881339468582912 +""", +) + +entry( + index = 7367, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H", + kinetics = ArrheniusBM(A=(2.23296e+24,'m^3/(mol*s)'), n=-4.92451, w0=(413.716,'kJ/mol'), E0=(79.5316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6405596249329701, var=68.49187271424648, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H + Total Standard Deviation in ln(k): 18.200597061095035"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H +Total Standard Deviation in ln(k): 18.200597061095035""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H +Total Standard Deviation in ln(k): 18.200597061095035 +""", +) + +entry( + index = 7368, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl", + kinetics = ArrheniusBM(A=(7.36053e+32,'m^3/(mol*s)'), n=-7.40643, w0=(412.89,'kJ/mol'), E0=(114.516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7141005825572818, var=96.63636685246627, Tref=1000.0, N=77, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl',), comment="""BM rule fitted to 77 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl + Total Standard Deviation in ln(k): 21.501529762113776"""), + rank = 11, + shortDesc = """BM rule fitted to 77 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl +Total Standard Deviation in ln(k): 21.501529762113776""", + longDesc = +""" +BM rule fitted to 77 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl +Total Standard Deviation in ln(k): 21.501529762113776 +""", +) + +entry( + index = 7369, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N", + kinetics = ArrheniusBM(A=(192706,'m^3/(mol*s)'), n=0.425643, w0=(390.167,'kJ/mol'), E0=(53.3362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2046722156406102, var=3.65245320874492, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N + Total Standard Deviation in ln(k): 4.3455796776876285"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N +Total Standard Deviation in ln(k): 4.3455796776876285""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N +Total Standard Deviation in ln(k): 4.3455796776876285 +""", +) + +entry( + index = 7370, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1", + kinetics = ArrheniusBM(A=(14510.1,'m^3/(mol*s)'), n=0.699786, w0=(391.357,'kJ/mol'), E0=(49.9741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5377600050931556, var=4.768844403112828, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1 + Total Standard Deviation in ln(k): 5.729032894103921"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1 +Total Standard Deviation in ln(k): 5.729032894103921""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1 +Total Standard Deviation in ln(k): 5.729032894103921 +""", +) + +entry( + index = 7371, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N", + kinetics = ArrheniusBM(A=(316.023,'m^3/(mol*s)'), n=1.29693, w0=(392.25,'kJ/mol'), E0=(52.2949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03988299428433953, var=0.7652943214940994, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N + Total Standard Deviation in ln(k): 1.8539728671320401"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N +Total Standard Deviation in ln(k): 1.8539728671320401""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N +Total Standard Deviation in ln(k): 1.8539728671320401 +""", +) + +entry( + index = 7372, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_1R->C", + kinetics = ArrheniusBM(A=(1.8,'m^3/(mol*s)'), n=1.94, w0=(398.5,'kJ/mol'), E0=(46.5606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7373, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_N-1R->C", + kinetics = ArrheniusBM(A=(161.65,'m^3/(mol*s)'), n=1.38035, w0=(386,'kJ/mol'), E0=(46.0796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_4CNS->N_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7374, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N", + kinetics = ArrheniusBM(A=(1.9997e-05,'m^3/(mol*s)'), n=3.15995, w0=(391,'kJ/mol'), E0=(20.5884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.28708239841237243, var=6.155872592339238, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N + Total Standard Deviation in ln(k): 5.6952669738282715"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N +Total Standard Deviation in ln(k): 5.6952669738282715""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N +Total Standard Deviation in ln(k): 5.6952669738282715 +""", +) + +entry( + index = 7375, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R", + kinetics = ArrheniusBM(A=(123.998,'m^3/(mol*s)'), n=1.15547, w0=(390.167,'kJ/mol'), E0=(33.9898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11169131115829879, var=13.169560947797985, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R + Total Standard Deviation in ln(k): 7.555792919650138"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R +Total Standard Deviation in ln(k): 7.555792919650138""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R +Total Standard Deviation in ln(k): 7.555792919650138 +""", +) + +entry( + index = 7376, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_1R->C", + kinetics = ArrheniusBM(A=(7.1e+06,'m^3/(mol*s)'), n=-7.65712e-09, w0=(398.5,'kJ/mol'), E0=(40.7462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7377, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_N-1R->C", + kinetics = ArrheniusBM(A=(83.6862,'m^3/(mol*s)'), n=1.20025, w0=(386,'kJ/mol'), E0=(33.668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06939107237101082, var=14.286507970360846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_N-1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_N-1R->C + Total Standard Deviation in ln(k): 7.751746282025287"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_N-1R->C +Total Standard Deviation in ln(k): 7.751746282025287""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_Ext-4C-R_N-1R->C +Total Standard Deviation in ln(k): 7.751746282025287 +""", +) + +entry( + index = 7378, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_1R->C", + kinetics = ArrheniusBM(A=(3.9e+06,'m^3/(mol*s)'), n=1.52389e-09, w0=(398.5,'kJ/mol'), E0=(48.8916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7379, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_N-1R->C", + kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(386,'kJ/mol'), E0=(50.8841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_3N-u1_N-4CNS->N_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7380, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1", + kinetics = ArrheniusBM(A=(126.554,'m^3/(mol*s)'), n=1.57039, w0=(386,'kJ/mol'), E0=(8.6583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=10.798807288333098, var=233.22360900026845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1 + Total Standard Deviation in ln(k): 57.74831476717716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1 +Total Standard Deviation in ln(k): 57.74831476717716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1 +Total Standard Deviation in ln(k): 57.74831476717716 +""", +) + +entry( + index = 7381, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_4CNS->N", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(386,'kJ/mol'), E0=(31.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_4CNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_4CNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7382, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_N-4CNS->N", + kinetics = ArrheniusBM(A=(6.26e+06,'m^3/(mol*s)'), n=1.82, w0=(386,'kJ/mol'), E0=(59.1568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_N-4CNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_N-4CNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_N-4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_3BrINOS->N_N-3N-u1_N-4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7383, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N", + kinetics = ArrheniusBM(A=(4.44282e+37,'m^3/(mol*s)'), n=-8.75684, w0=(415.897,'kJ/mol'), E0=(123.113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.294647401312775, var=135.98057882442586, Tref=1000.0, N=68, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N',), comment="""BM rule fitted to 68 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N + Total Standard Deviation in ln(k): 26.63024115980854"""), + rank = 11, + shortDesc = """BM rule fitted to 68 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N +Total Standard Deviation in ln(k): 26.63024115980854""", + longDesc = +""" +BM rule fitted to 68 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N +Total Standard Deviation in ln(k): 26.63024115980854 +""", +) + +entry( + index = 7384, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(1.81322e+53,'m^3/(mol*s)'), n=-13.2665, w0=(421.449,'kJ/mol'), E0=(136.201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.831010633155348, var=172.5195815419904, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R + Total Standard Deviation in ln(k): 30.93206485657833"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R +Total Standard Deviation in ln(k): 30.93206485657833""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R +Total Standard Deviation in ln(k): 30.93206485657833 +""", +) + +entry( + index = 7385, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O", + kinetics = ArrheniusBM(A=(13.975,'m^3/(mol*s)'), n=1.37283, w0=(422.5,'kJ/mol'), E0=(79.203,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040196321754248164, var=98.05369713146376, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O + Total Standard Deviation in ln(k): 19.952296858104937"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O +Total Standard Deviation in ln(k): 19.952296858104937""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O +Total Standard Deviation in ln(k): 19.952296858104937 +""", +) + +entry( + index = 7386, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_3BrIOS-u1", + kinetics = ArrheniusBM(A=(52000,'m^3/(mol*s)'), n=-0.03, w0=(422.5,'kJ/mol'), E0=(95.8798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_3BrIOS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_3BrIOS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7387, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_N-3BrIOS-u1", + kinetics = ArrheniusBM(A=(3.1,'m^3/(mol*s)'), n=1.94, w0=(422.5,'kJ/mol'), E0=(69.8,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_N-3BrIOS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_N-3BrIOS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_5R!H->O_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7388, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.61051e+53,'m^3/(mol*s)'), n=-13.2104, w0=(421.392,'kJ/mol'), E0=(125.277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8207337020522554, var=197.828680368716, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O + Total Standard Deviation in ln(k): 32.771624175732036"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O +Total Standard Deviation in ln(k): 32.771624175732036""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O +Total Standard Deviation in ln(k): 32.771624175732036 +""", +) + +entry( + index = 7389, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing", + kinetics = ArrheniusBM(A=(8.5483e+48,'m^3/(mol*s)'), n=-11.9525, w0=(425.694,'kJ/mol'), E0=(75.4193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-11.080580175420979, var=301.6099916371658, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing + Total Standard Deviation in ln(k): 62.65673211271221"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing +Total Standard Deviation in ln(k): 62.65673211271221""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing +Total Standard Deviation in ln(k): 62.65673211271221 +""", +) + +entry( + index = 7390, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O", + kinetics = ArrheniusBM(A=(6.48852e+17,'m^3/(mol*s)'), n=-3.14903, w0=(432.656,'kJ/mol'), E0=(77.852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3797427086545683, var=11.514967058684311, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O + Total Standard Deviation in ln(k): 7.756937376052442"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O +Total Standard Deviation in ln(k): 7.756937376052442""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O +Total Standard Deviation in ln(k): 7.756937376052442 +""", +) + +entry( + index = 7391, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1", + kinetics = ArrheniusBM(A=(2.45069e+17,'m^3/(mol*s)'), n=-2.90749, w0=(432.917,'kJ/mol'), E0=(82.5243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37607512602710924, var=12.986069038862524, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1 + Total Standard Deviation in ln(k): 8.169213553075801"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1 +Total Standard Deviation in ln(k): 8.169213553075801""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1 +Total Standard Deviation in ln(k): 8.169213553075801 +""", +) + +entry( + index = 7392, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi", + kinetics = ArrheniusBM(A=(45501.2,'m^3/(mol*s)'), n=0.836761, w0=(435,'kJ/mol'), E0=(45.8052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30812893557070026, var=2.058761575592066, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi + Total Standard Deviation in ln(k): 3.6506644148797567"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi +Total Standard Deviation in ln(k): 3.6506644148797567""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi +Total Standard Deviation in ln(k): 3.6506644148797567 +""", +) + +entry( + index = 7393, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_5BrCClFINPSSi->Br", + kinetics = ArrheniusBM(A=(2.5e+07,'m^3/(mol*s)'), n=3.13878e-08, w0=(435,'kJ/mol'), E0=(38.3385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_5BrCClFINPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_5BrCClFINPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_5BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_5BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7394, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br", + kinetics = ArrheniusBM(A=(40457.4,'m^3/(mol*s)'), n=0.852375, w0=(435,'kJ/mol'), E0=(45.9548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3065203977750335, var=2.0617709118022813, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br + Total Standard Deviation in ln(k): 3.648724394884445"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 3.648724394884445""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br +Total Standard Deviation in ln(k): 3.648724394884445 +""", +) + +entry( + index = 7395, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(295443,'m^3/(mol*s)'), n=0.722415, w0=(435,'kJ/mol'), E0=(50.068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18193287928308804, var=8.856223888807612, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R + Total Standard Deviation in ln(k): 6.423090779236746"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R +Total Standard Deviation in ln(k): 6.423090779236746""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R +Total Standard Deviation in ln(k): 6.423090779236746 +""", +) + +entry( + index = 7396, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C", + kinetics = ArrheniusBM(A=(2.86268e+09,'m^3/(mol*s)'), n=-0.515396, w0=(435,'kJ/mol'), E0=(61.0422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9639843750114354, var=40.14791359287549, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C + Total Standard Deviation in ln(k): 17.63711293853681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C +Total Standard Deviation in ln(k): 17.63711293853681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C +Total Standard Deviation in ln(k): 17.63711293853681 +""", +) + +entry( + index = 7397, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(4.19137e+18,'m^3/(mol*s)'), n=-3.39312, w0=(435,'kJ/mol'), E0=(53.9078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_5CClFN->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7398, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_N-5CClFN->C", + kinetics = ArrheniusBM(A=(8.86915e-07,'m^3/(mol*s)'), n=4.12729, w0=(435,'kJ/mol'), E0=(21.2986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_N-5CClFN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_N-5CClFN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_N-5CClFN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_Ext-4CNS-R_N-5CClFN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7399, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_5CClFN->F", + kinetics = ArrheniusBM(A=(1.69964e-07,'m^3/(mol*s)'), n=4.02362, w0=(435,'kJ/mol'), E0=(17.8298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_5CClFN->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_5CClFN->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_5CClFN->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_5CClFN->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7400, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F", + kinetics = ArrheniusBM(A=(227680,'m^3/(mol*s)'), n=0.503168, w0=(435,'kJ/mol'), E0=(43.8018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.038336739029759, var=27.980009765260693, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F + Total Standard Deviation in ln(k): 23.263411034485436"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F +Total Standard Deviation in ln(k): 23.263411034485436""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F +Total Standard Deviation in ln(k): 23.263411034485436 +""", +) + +entry( + index = 7401, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F_Ext-3O-R", + kinetics = ArrheniusBM(A=(4.34103e+06,'m^3/(mol*s)'), n=0.119884, w0=(435,'kJ/mol'), E0=(-13.3578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09078364861122351, var=1.2313907210318447e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F_Ext-3O-R + Total Standard Deviation in ln(k): 0.22810665447758444"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F_Ext-3O-R +Total Standard Deviation in ln(k): 0.22810665447758444""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-5BrCClFINPSSi->Br_N-5CClFN->F_Ext-3O-R +Total Standard Deviation in ln(k): 0.22810665447758444 +""", +) + +entry( + index = 7402, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi", + kinetics = ArrheniusBM(A=(4.97547e+21,'m^3/(mol*s)'), n=-4.16012, w0=(428.75,'kJ/mol'), E0=(95.7844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4055875364873748, var=16.73571003429118, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi + Total Standard Deviation in ln(k): 9.220295465732184"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi +Total Standard Deviation in ln(k): 9.220295465732184""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi +Total Standard Deviation in ln(k): 9.220295465732184 +""", +) + +entry( + index = 7403, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C", + kinetics = ArrheniusBM(A=(1.53975e+16,'m^3/(mol*s)'), n=-2.48171, w0=(435,'kJ/mol'), E0=(106.231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.385736963161418, var=198.28764861132697, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C + Total Standard Deviation in ln(k): 44.27417149583812"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C +Total Standard Deviation in ln(k): 44.27417149583812""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C +Total Standard Deviation in ln(k): 44.27417149583812 +""", +) + +entry( + index = 7404, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(2.1e-09,'m^3/(mol*s)'), n=4.36, w0=(435,'kJ/mol'), E0=(92.8053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_1R->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7405, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C", + kinetics = ArrheniusBM(A=(1.38139e+13,'m^3/(mol*s)'), n=-1.76768, w0=(422.5,'kJ/mol'), E0=(47.8373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.5817483191179853, var=38.351067650805255, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C + Total Standard Deviation in ln(k): 16.389213275009595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C +Total Standard Deviation in ln(k): 16.389213275009595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C +Total Standard Deviation in ln(k): 16.389213275009595 +""", +) + +entry( + index = 7406, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C_Ext-3O-R", + kinetics = ArrheniusBM(A=(5.93201e+20,'m^3/(mol*s)'), n=-4.15577, w0=(422.5,'kJ/mol'), E0=(-22.0557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_3O-u1_N-Sp-5BrCClFINPSSi-4BrCCClFINNPSSSi_N-1R->C_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7407, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1", + kinetics = ArrheniusBM(A=(1863.42,'m^3/(mol*s)'), n=0.696327, w0=(431.875,'kJ/mol'), E0=(6.1709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.1184403421782165, var=29.948055780759486, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1 + Total Standard Deviation in ln(k): 16.293590419720076"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1 +Total Standard Deviation in ln(k): 16.293590419720076""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1 +Total Standard Deviation in ln(k): 16.293590419720076 +""", +) + +entry( + index = 7408, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_5BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(1.06768e-05,'m^3/(mol*s)'), n=3.9455, w0=(435,'kJ/mol'), E0=(18.2849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_5BrCClFINPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_5BrCClFINPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7409, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(19451.5,'m^3/(mol*s)'), n=0.307035, w0=(430.833,'kJ/mol'), E0=(4.08423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.9815825177681714, var=39.51321888285007, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F + Total Standard Deviation in ln(k): 20.09308603010767"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 20.09308603010767""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F +Total Standard Deviation in ln(k): 20.09308603010767 +""", +) + +entry( + index = 7410, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C", + kinetics = ArrheniusBM(A=(0.000469264,'m^3/(mol*s)'), n=3.45978, w0=(435,'kJ/mol'), E0=(19.3846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14309883500038814, var=0.4038430321834827, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C + Total Standard Deviation in ln(k): 1.6335267954704076"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C +Total Standard Deviation in ln(k): 1.6335267954704076""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C +Total Standard Deviation in ln(k): 1.6335267954704076 +""", +) + +entry( + index = 7411, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(1.00472e-05,'m^3/(mol*s)'), n=3.98411, w0=(435,'kJ/mol'), E0=(14.5747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C_Ext-4CNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_1R->C_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7412, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_N-1R->C", + kinetics = ArrheniusBM(A=(1.48e+16,'m^3/(mol*s)'), n=-3.37, w0=(422.5,'kJ/mol'), E0=(52.891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_N-1R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_N-1R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_3BrIOS->O_N-3O-u1_N-5BrCClFINPSSi->F_N-1R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7413, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O", + kinetics = ArrheniusBM(A=(2.03491e+42,'m^3/(mol*s)'), n=-9.95241, w0=(370,'kJ/mol'), E0=(42.1145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-17.660384564085383, var=536.8563256244481, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O + Total Standard Deviation in ln(k): 90.82285852321239"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O +Total Standard Deviation in ln(k): 90.82285852321239""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O +Total Standard Deviation in ln(k): 90.82285852321239 +""", +) + +entry( + index = 7414, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_3IS->S", + kinetics = ArrheniusBM(A=(3.775e-05,'m^3/(mol*s)'), n=3.37, w0=(387,'kJ/mol'), E0=(28.2252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_3IS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_3IS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_3IS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_3IS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7415, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_N-3IS->S", + kinetics = ArrheniusBM(A=(9.72698e+44,'m^3/(mol*s)'), n=-10.8122, w0=(353,'kJ/mol'), E0=(33.3855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_N-3IS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_N-3IS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_N-3IS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-1R-inRing_N-3BrIOS->O_N-3IS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7416, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1", + kinetics = ArrheniusBM(A=(1.46354e-06,'m^3/(mol*s)'), n=3.65428, w0=(435,'kJ/mol'), E0=(66.0698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11661674917162117, var=0.24862819376123152, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1 + Total Standard Deviation in ln(k): 1.2926205550755452"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 1.2926205550755452""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 1.2926205550755452 +""", +) + +entry( + index = 7417, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.79741e-06,'m^3/(mol*s)'), n=3.6191, w0=(435,'kJ/mol'), E0=(69.1892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7418, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(8.5709e-07,'m^3/(mol*s)'), n=3.64569, w0=(435,'kJ/mol'), E0=(63.7523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-4CNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS-u1_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7419, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R", + kinetics = ArrheniusBM(A=(4.8999e+17,'m^3/(mol*s)'), n=-2.92356, w0=(406.2,'kJ/mol'), E0=(-26.0544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15784752741135072, var=2.3905118938992653, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R + Total Standard Deviation in ln(k): 3.496178929221131"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R +Total Standard Deviation in ln(k): 3.496178929221131""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R +Total Standard Deviation in ln(k): 3.496178929221131 +""", +) + +entry( + index = 7420, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0", + kinetics = ArrheniusBM(A=(5.08651e+17,'m^3/(mol*s)'), n=-2.92772, w0=(403,'kJ/mol'), E0=(-34.815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16115107356654762, var=2.3755465526884665, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0 + Total Standard Deviation in ln(k): 3.494761910137548"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.494761910137548""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0 +Total Standard Deviation in ln(k): 3.494761910137548 +""", +) + +entry( + index = 7421, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O", + kinetics = ArrheniusBM(A=(9.90958e+17,'m^3/(mol*s)'), n=-3.01347, w0=(435,'kJ/mol'), E0=(-65.6543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1974601894906111, var=0.7420989987481798, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O + Total Standard Deviation in ln(k): 2.2231135318129436"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O +Total Standard Deviation in ln(k): 2.2231135318129436""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O +Total Standard Deviation in ln(k): 2.2231135318129436 +""", +) + +entry( + index = 7422, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-5BrCClFINPSSi-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.32037e+17,'m^3/(mol*s)'), n=-2.72421, w0=(435,'kJ/mol'), E0=(-123.277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-5BrCClFINPSSi-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-5BrCClFINPSSi-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-5BrCClFINPSSi-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-5BrCClFINPSSi-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7423, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(2.51053e+18,'m^3/(mol*s)'), n=-3.23215, w0=(435,'kJ/mol'), E0=(-243.365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-4CNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_3BrIOS->O_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7424, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O", + kinetics = ArrheniusBM(A=(123365,'m^3/(mol*s)'), n=0.807236, w0=(387,'kJ/mol'), E0=(-5.96836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13718716107356202, var=68.43226390171121, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O + Total Standard Deviation in ln(k): 16.92862087534324"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O +Total Standard Deviation in ln(k): 16.92862087534324""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O +Total Standard Deviation in ln(k): 16.92862087534324 +""", +) + +entry( + index = 7425, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(44508.5,'m^3/(mol*s)'), n=0.776017, w0=(387,'kJ/mol'), E0=(-9.5035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12697179237492434, var=129.24380512410707, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R + Total Standard Deviation in ln(k): 23.10994463686155"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 23.10994463686155""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R +Total Standard Deviation in ln(k): 23.10994463686155 +""", +) + +entry( + index = 7426, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(409255,'m^3/(mol*s)'), n=1.04902, w0=(387,'kJ/mol'), E0=(-15.0999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12936725962094336, var=4.477690210369549, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 4.567173735678792"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.567173735678792""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.567173735678792 +""", +) + +entry( + index = 7427, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C", + kinetics = ArrheniusBM(A=(168732,'m^3/(mol*s)'), n=1.28813, w0=(387,'kJ/mol'), E0=(13.4898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7428, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C", + kinetics = ArrheniusBM(A=(992634,'m^3/(mol*s)'), n=0.809903, w0=(387,'kJ/mol'), E0=(16.2903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_Sp-7R!H=6R!H_N-7R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7429, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(415414,'m^3/(mol*s)'), n=1.06103, w0=(387,'kJ/mol'), E0=(25.858,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7430, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(56.4027,'m^3/(mol*s)'), n=-0.05499, w0=(387,'kJ/mol'), E0=(22.273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7431, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_6R!H->C", + kinetics = ArrheniusBM(A=(146162,'m^3/(mol*s)'), n=1.12175, w0=(387,'kJ/mol'), E0=(20.27,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7432, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_N-6R!H->C", + kinetics = ArrheniusBM(A=(6.14542e+06,'m^3/(mol*s)'), n=0.617602, w0=(387,'kJ/mol'), E0=(26.3183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_6R!H-u0_N-3BrIOS->O_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7433, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_N-6R!H-u0", + kinetics = ArrheniusBM(A=(2.24215e+13,'m^3/(mol*s)'), n=-1.81325, w0=(435,'kJ/mol'), E0=(11.2866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-3BrIOS-R_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7434, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000763895,'m^3/(mol*s)'), n=3.10443, w0=(435,'kJ/mol'), E0=(15.2832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7435, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R", + kinetics = ArrheniusBM(A=(0.000409832,'m^3/(mol*s)'), n=3.09594, w0=(435,'kJ/mol'), E0=(13.6421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-5BrCClFINPSSi-R_Ext-5BrCClFINPSSi-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7436, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(0.000138865,'m^3/(mol*s)'), n=2.99789, w0=(435,'kJ/mol'), E0=(12.4184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-4CNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7437, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_3BrIOS->S", + kinetics = ArrheniusBM(A=(26482.7,'m^3/(mol*s)'), n=1.21293, w0=(387,'kJ/mol'), E0=(17.5077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_3BrIOS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_3BrIOS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_3BrIOS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_3BrIOS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7438, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS->S", + kinetics = ArrheniusBM(A=(0.00390136,'m^3/(mol*s)'), n=2.68274, w0=(435,'kJ/mol'), E0=(11.9358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-14.334309763977606, var=417.30263271423127, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS->S + Total Standard Deviation in ln(k): 76.96855478867037"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS->S +Total Standard Deviation in ln(k): 76.96855478867037""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_Ext-4CNS-R_N-5R!H->O_N-3BrIOS->S +Total Standard Deviation in ln(k): 76.96855478867037 +""", +) + +entry( + index = 7439, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C", + kinetics = ArrheniusBM(A=(2.07065e+07,'m^3/(mol*s)'), n=0.0347303, w0=(406.18,'kJ/mol'), E0=(142.59,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6630396666199018, var=32.043408574615825, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C + Total Standard Deviation in ln(k): 13.014112137491239"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C +Total Standard Deviation in ln(k): 13.014112137491239""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C +Total Standard Deviation in ln(k): 13.014112137491239 +""", +) + +entry( + index = 7440, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S", + kinetics = ArrheniusBM(A=(0.000786244,'m^3/(mol*s)'), n=3.29551, w0=(387,'kJ/mol'), E0=(0.521603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3051209114917352, var=1.3512420812606776, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S + Total Standard Deviation in ln(k): 3.0969984244150552"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S +Total Standard Deviation in ln(k): 3.0969984244150552""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S +Total Standard Deviation in ln(k): 3.0969984244150552 +""", +) + +entry( + index = 7441, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R", + kinetics = ArrheniusBM(A=(0.00129596,'m^3/(mol*s)'), n=3.25868, w0=(387,'kJ/mol'), E0=(5.26536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3239353398269654, var=0.634432834497439, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R + Total Standard Deviation in ln(k): 2.4107052828206403"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R +Total Standard Deviation in ln(k): 2.4107052828206403""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R +Total Standard Deviation in ln(k): 2.4107052828206403 +""", +) + +entry( + index = 7442, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C", + kinetics = ArrheniusBM(A=(0.000702046,'m^3/(mol*s)'), n=3.35227, w0=(387,'kJ/mol'), E0=(-3.62694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3342026789053789, var=1.044449841733535, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C + Total Standard Deviation in ln(k): 2.8885109701117706"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C +Total Standard Deviation in ln(k): 2.8885109701117706""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C +Total Standard Deviation in ln(k): 2.8885109701117706 +""", +) + +entry( + index = 7443, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_5C-inRing", + kinetics = ArrheniusBM(A=(0.00301283,'m^3/(mol*s)'), n=3.19217, w0=(387,'kJ/mol'), E0=(20.9951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7444, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing", + kinetics = ArrheniusBM(A=(0.000621214,'m^3/(mol*s)'), n=3.36044, w0=(387,'kJ/mol'), E0=(4.53641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3448040040357151, var=1.7376629959115417, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing + Total Standard Deviation in ln(k): 3.5089924369573176"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing +Total Standard Deviation in ln(k): 3.5089924369573176""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing +Total Standard Deviation in ln(k): 3.5089924369573176 +""", +) + +entry( + index = 7445, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R", + kinetics = ArrheniusBM(A=(0.000998947,'m^3/(mol*s)'), n=3.31575, w0=(387,'kJ/mol'), E0=(1.87601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48808065878970075, var=4.569910500541247, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R + Total Standard Deviation in ln(k): 5.511925452739691"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 5.511925452739691""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 5.511925452739691 +""", +) + +entry( + index = 7446, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.000497174,'m^3/(mol*s)'), n=3.53157, w0=(387,'kJ/mol'), E0=(10.3564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7447, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.00242027,'m^3/(mol*s)'), n=3.07664, w0=(387,'kJ/mol'), E0=(-44.4451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_5R!H->C_N-5C-inRing_Ext-5C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7448, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.0150487,'m^3/(mol*s)'), n=2.88434, w0=(387,'kJ/mol'), E0=(1.22252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_4CNS->S_Ext-3BrIOS-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7449, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S", + kinetics = ArrheniusBM(A=(2.55075e+07,'m^3/(mol*s)'), n=0.0078195, w0=(412.237,'kJ/mol'), E0=(143.143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6381257877164075, var=31.205765809706865, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S + Total Standard Deviation in ln(k): 12.802206504479319"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S +Total Standard Deviation in ln(k): 12.802206504479319""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S +Total Standard Deviation in ln(k): 12.802206504479319 +""", +) + +entry( + index = 7450, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N", + kinetics = ArrheniusBM(A=(2.35456e-07,'m^3/(mol*s)'), n=4.03908, w0=(435,'kJ/mol'), E0=(113.643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08908536185657565, var=26.994883673831094, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N + Total Standard Deviation in ln(k): 10.639754581407338"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N +Total Standard Deviation in ln(k): 10.639754581407338""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N +Total Standard Deviation in ln(k): 10.639754581407338 +""", +) + +entry( + index = 7451, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_3BrIOS-u1", + kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=2, w0=(435,'kJ/mol'), E0=(144.928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_3BrIOS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_3BrIOS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7452, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_N-3BrIOS-u1", + kinetics = ArrheniusBM(A=(220,'m^3/(mol*s)'), n=1.5, w0=(435,'kJ/mol'), E0=(123.003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_N-3BrIOS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_N-3BrIOS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_4CN->N_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7453, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N", + kinetics = ArrheniusBM(A=(6.13219e+09,'m^3/(mol*s)'), n=-0.781037, w0=(409.559,'kJ/mol'), E0=(72.5205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5618698988613742, var=21.380685579777207, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N + Total Standard Deviation in ln(k): 10.681478745052166"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N +Total Standard Deviation in ln(k): 10.681478745052166""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N +Total Standard Deviation in ln(k): 10.681478745052166 +""", +) + +entry( + index = 7454, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O", + kinetics = ArrheniusBM(A=(1.32114e+10,'m^3/(mol*s)'), n=-0.881285, w0=(435,'kJ/mol'), E0=(74.7705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9141665501541, var=22.61464247145183, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O + Total Standard Deviation in ln(k): 11.830389499231236"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O +Total Standard Deviation in ln(k): 11.830389499231236""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O +Total Standard Deviation in ln(k): 11.830389499231236 +""", +) + +entry( + index = 7455, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1", + kinetics = ArrheniusBM(A=(6.35896e+08,'m^3/(mol*s)'), n=-0.511165, w0=(435,'kJ/mol'), E0=(51.53,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1812068403268847, var=3.530444250718767, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1 + Total Standard Deviation in ln(k): 6.734648634218648"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1 +Total Standard Deviation in ln(k): 6.734648634218648""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1 +Total Standard Deviation in ln(k): 6.734648634218648 +""", +) + +entry( + index = 7456, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.8453e+09,'m^3/(mol*s)'), n=-0.659738, w0=(435,'kJ/mol'), E0=(49.855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.773780521338468, var=9.904272683581475, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 8.253284842536642"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 8.253284842536642""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 8.253284842536642 +""", +) + +entry( + index = 7457, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0", + kinetics = ArrheniusBM(A=(6.15986e+15,'m^3/(mol*s)'), n=-2.37991, w0=(435,'kJ/mol'), E0=(74.7944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4520744804693775, var=71.58462947466761, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0 + Total Standard Deviation in ln(k): 20.610030800728005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 20.610030800728005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0 +Total Standard Deviation in ln(k): 20.610030800728005 +""", +) + +entry( + index = 7458, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->C", + kinetics = ArrheniusBM(A=(0.00208625,'m^3/(mol*s)'), n=2.86519, w0=(435,'kJ/mol'), E0=(41.0115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7459, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->C", + kinetics = ArrheniusBM(A=(6.24761e+06,'m^3/(mol*s)'), n=0.243834, w0=(435,'kJ/mol'), E0=(-15.7522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_5R!H-u0_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7460, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_N-5R!H-u0", + kinetics = ArrheniusBM(A=(2.1277e+09,'m^3/(mol*s)'), n=-0.680837, w0=(435,'kJ/mol'), E0=(54.0053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5219073591478255, var=0.9874591757507677, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_N-5R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_N-5R!H-u0 + Total Standard Deviation in ln(k): 3.30344992500911"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 3.30344992500911""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_3O-u1_Ext-3O-R_N-5R!H-u0 +Total Standard Deviation in ln(k): 3.30344992500911 +""", +) + +entry( + index = 7461, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_N-3O-u1", + kinetics = ArrheniusBM(A=(3.78,'m^3/(mol*s)'), n=1.91, w0=(435,'kJ/mol'), E0=(98.9064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_N-3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_N-3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_3BrIOS->O_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7462, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O", + kinetics = ArrheniusBM(A=(4.26863,'m^3/(mol*s)'), n=1.91618, w0=(386.944,'kJ/mol'), E0=(5.50934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09252885455338793, var=56.22589322090307, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O + Total Standard Deviation in ln(k): 15.264775447324787"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O +Total Standard Deviation in ln(k): 15.264775447324787""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O +Total Standard Deviation in ln(k): 15.264775447324787 +""", +) + +entry( + index = 7463, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_3BrS->Br", + kinetics = ArrheniusBM(A=(1.25e+06,'m^3/(mol*s)'), n=-7.81482e-08, w0=(386.5,'kJ/mol'), E0=(39.8183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_3BrS->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_3BrS->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_3BrS->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_3BrS->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7464, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br", + kinetics = ArrheniusBM(A=(1.96063,'m^3/(mol*s)'), n=2.05673, w0=(387,'kJ/mol'), E0=(-2.54611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07671059524060786, var=65.37164713463324, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br + Total Standard Deviation in ln(k): 16.401571530872143"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br +Total Standard Deviation in ln(k): 16.401571530872143""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br +Total Standard Deviation in ln(k): 16.401571530872143 +""", +) + +entry( + index = 7465, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R", + kinetics = ArrheniusBM(A=(16.8467,'m^3/(mol*s)'), n=1.8923, w0=(387,'kJ/mol'), E0=(-0.873013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2845389055906592, var=68.43383267932677, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R + Total Standard Deviation in ln(k): 17.299041477526327"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R +Total Standard Deviation in ln(k): 17.299041477526327""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R +Total Standard Deviation in ln(k): 17.299041477526327 +""", +) + +entry( + index = 7466, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.07819,'m^3/(mol*s)'), n=1.86108, w0=(387,'kJ/mol'), E0=(-3.44314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29475432558271286, var=129.24738395971542, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 23.53182433533485"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 23.53182433533485""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 23.53182433533485 +""", +) + +entry( + index = 7467, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(55.924,'m^3/(mol*s)'), n=2.13408, w0=(387,'kJ/mol'), E0=(-11.3086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.551093390060776, var=4.460784589675237, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 5.618771426128852"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 5.618771426128852""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 5.618771426128852 +""", +) + +entry( + index = 7468, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C", + kinetics = ArrheniusBM(A=(23.0244,'m^3/(mol*s)'), n=2.37319, w0=(387,'kJ/mol'), E0=(17.777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7469, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C", + kinetics = ArrheniusBM(A=(135.834,'m^3/(mol*s)'), n=1.89497, w0=(387,'kJ/mol'), E0=(20.7793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_Sp-6R!H=5R!H_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7470, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(56.6748,'m^3/(mol*s)'), n=2.14609, w0=(387,'kJ/mol'), E0=(29.8434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7471, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00770023,'m^3/(mol*s)'), n=1.03007, w0=(387,'kJ/mol'), E0=(26.5868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7472, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_5R!H->C", + kinetics = ArrheniusBM(A=(19.962,'m^3/(mol*s)'), n=2.20681, w0=(387,'kJ/mol'), E0=(24.2041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7473, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(839.066,'m^3/(mol*s)'), n=1.70266, w0=(387,'kJ/mol'), E0=(30.6438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_1R->C_N-4CNS->S_N-4CN->N_N-3BrIOS->O_N-3BrS->Br_Ext-3S-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7474, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C", + kinetics = ArrheniusBM(A=(2.38733e+14,'m^3/(mol*s)'), n=-1.99641, w0=(422.5,'kJ/mol'), E0=(118.517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7884704525306087, var=15.425383912305946, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C + Total Standard Deviation in ln(k): 9.854711137100491"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C +Total Standard Deviation in ln(k): 9.854711137100491""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C +Total Standard Deviation in ln(k): 9.854711137100491 +""", +) + +entry( + index = 7475, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1", + kinetics = ArrheniusBM(A=(2120.6,'m^3/(mol*s)'), n=1.11273, w0=(422.5,'kJ/mol'), E0=(54.0586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7179953699726473, var=0.5502896437488543, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1 + Total Standard Deviation in ln(k): 3.29115122074717"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1 +Total Standard Deviation in ln(k): 3.29115122074717""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1 +Total Standard Deviation in ln(k): 3.29115122074717 +""", +) + +entry( + index = 7476, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_4CNS->N", + kinetics = ArrheniusBM(A=(252.033,'m^3/(mol*s)'), n=1.42089, w0=(422.5,'kJ/mol'), E0=(57.7362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_4CNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_4CNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7477, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_N-4CNS->N", + kinetics = ArrheniusBM(A=(1.70627,'m^3/(mol*s)'), n=1.9562, w0=(422.5,'kJ/mol'), E0=(32.2552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_N-4CNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_N-4CNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_N-4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_3BrIOS-u1_N-4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7478, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1", + kinetics = ArrheniusBM(A=(3.04046e+18,'m^3/(mol*s)'), n=-3.1153, w0=(422.5,'kJ/mol'), E0=(145.739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2866117101207473, var=28.310021979430054, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1 + Total Standard Deviation in ln(k): 11.386756534869352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 11.386756534869352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1 +Total Standard Deviation in ln(k): 11.386756534869352 +""", +) + +entry( + index = 7479, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_4CNS->N", + kinetics = ArrheniusBM(A=(330,'m^3/(mol*s)'), n=1.5, w0=(422.5,'kJ/mol'), E0=(85.8813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_4CNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_4CNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7480, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_N-4CNS->N", + kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(422.5,'kJ/mol'), E0=(115.245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_N-4CNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_N-4CNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_N-4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-3BrClINOS->Cl_N-3BrINOS->N_N-1R->C_N-3BrIOS-u1_N-4CNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7481, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing", + kinetics = ArrheniusBM(A=(5.53902e+10,'m^3/(mol*s)'), n=-1.11007, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.871297267607453, var=86.2842762484184, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing + Total Standard Deviation in ln(k): 35.88641581243271"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing +Total Standard Deviation in ln(k): 35.88641581243271""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing +Total Standard Deviation in ln(k): 35.88641581243271 +""", +) + +entry( + index = 7482, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(921.541,'m^3/(mol*s)'), n=2.44519, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7483, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(80.8813,'m^3/(mol*s)'), n=2.68413, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-4CNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7484, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(9.9999e+09,'m^3/(mol*s)'), n=0.188766, w0=(419.5,'kJ/mol'), E0=(4.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_1R-inRing_Ext-4CNS-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7485, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing", + kinetics = ArrheniusBM(A=(9738.93,'m^3/(mol*s)'), n=1.04551, w0=(419.5,'kJ/mol'), E0=(5.33533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28800114502930063, var=0.4421165887391563, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing + Total Standard Deviation in ln(k): 2.0566063734420803"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing +Total Standard Deviation in ln(k): 2.0566063734420803""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing +Total Standard Deviation in ln(k): 2.0566063734420803 +""", +) + +entry( + index = 7486, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(22.2982,'m^3/(mol*s)'), n=1.993, w0=(419.5,'kJ/mol'), E0=(22.0886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4998134095033591, var=0.36206334235972426, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R + Total Standard Deviation in ln(k): 2.462095753712135"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R +Total Standard Deviation in ln(k): 2.462095753712135""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R +Total Standard Deviation in ln(k): 2.462095753712135 +""", +) + +entry( + index = 7487, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_5R!H->C", + kinetics = ArrheniusBM(A=(21.1918,'m^3/(mol*s)'), n=2, w0=(419.5,'kJ/mol'), E0=(22.0544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7488, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1178.64,'m^3/(mol*s)'), n=1.26897, w0=(419.5,'kJ/mol'), E0=(3.583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46770774765214473, var=0.7940503985391348, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C + Total Standard Deviation in ln(k): 2.961554610334534"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.961554610334534""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C +Total Standard Deviation in ln(k): 2.961554610334534 +""", +) + +entry( + index = 7489, + label = "Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C_Ext-4CNS-R", + kinetics = ArrheniusBM(A=(612.583,'m^3/(mol*s)'), n=1.35725, w0=(419.5,'kJ/mol'), E0=(2.17583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C_Ext-4CNS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C_Ext-4CNS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_Ext-1R-R_N-Sp-4R!H-1R_N-Sp-4R!H#1R_N-4R!H->O_N-3BrClHINOS->H_N-1R-inRing_Ext-4CNS-R_N-5R!H->C_Ext-4CNS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7490, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O", + kinetics = ArrheniusBM(A=(3202.92,'m^3/(mol*s)'), n=0.893589, w0=(434.333,'kJ/mol'), E0=(58.5112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21413716306637148, var=22.75516758828401, Tref=1000.0, N=66, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O',), comment="""BM rule fitted to 66 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O + Total Standard Deviation in ln(k): 10.101095891207029"""), + rank = 11, + shortDesc = """BM rule fitted to 66 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O +Total Standard Deviation in ln(k): 10.101095891207029""", + longDesc = +""" +BM rule fitted to 66 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O +Total Standard Deviation in ln(k): 10.101095891207029 +""", +) + +entry( + index = 7491, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O", + kinetics = ArrheniusBM(A=(0.227158,'m^3/(mol*s)'), n=2.03722, w0=(459,'kJ/mol'), E0=(12.002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0836592300526109, var=18.35450230973183, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O + Total Standard Deviation in ln(k): 11.311478943598738"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O +Total Standard Deviation in ln(k): 11.311478943598738""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O +Total Standard Deviation in ln(k): 11.311478943598738 +""", +) + +entry( + index = 7492, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0", + kinetics = ArrheniusBM(A=(17451.2,'m^3/(mol*s)'), n=0.750283, w0=(459,'kJ/mol'), E0=(29.5624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7555976344921769, var=1.199133831524764, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0 + Total Standard Deviation in ln(k): 4.093771051139458"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0 +Total Standard Deviation in ln(k): 4.093771051139458""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0 +Total Standard Deviation in ln(k): 4.093771051139458 +""", +) + +entry( + index = 7493, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1", + kinetics = ArrheniusBM(A=(17672.1,'m^3/(mol*s)'), n=0.74844, w0=(459,'kJ/mol'), E0=(29.5888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7218471593302762, var=1.2348931836063426, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1 + Total Standard Deviation in ln(k): 4.041463177216993"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1 +Total Standard Deviation in ln(k): 4.041463177216993""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1 +Total Standard Deviation in ln(k): 4.041463177216993 +""", +) + +entry( + index = 7494, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(755.001,'m^3/(mol*s)'), n=1.14104, w0=(459,'kJ/mol'), E0=(7.35223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9186912827621941, var=1.1398943229106855, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 4.448641671981351"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 4.448641671981351""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 4.448641671981351 +""", +) + +entry( + index = 7495, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0", + kinetics = ArrheniusBM(A=(755.642,'m^3/(mol*s)'), n=1.14094, w0=(459,'kJ/mol'), E0=(7.30561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9370421211197522, var=1.1128735296668728, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0 + Total Standard Deviation in ln(k): 4.469228776805365"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 4.469228776805365""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 4.469228776805365 +""", +) + +entry( + index = 7496, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N", + kinetics = ArrheniusBM(A=(0.406399,'m^3/(mol*s)'), n=2.17041, w0=(459,'kJ/mol'), E0=(38.5677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47112112063928796, var=0.03336341951024247, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N + Total Standard Deviation in ln(k): 1.5498994248778621"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 1.5498994248778621""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 1.5498994248778621 +""", +) + +entry( + index = 7497, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(0.308635,'m^3/(mol*s)'), n=2.20054, w0=(459,'kJ/mol'), E0=(37.219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6490107333372086, var=4.880277524112331, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R + Total Standard Deviation in ln(k): 8.571973508217974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 8.571973508217974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 8.571973508217974 +""", +) + +entry( + index = 7498, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R", + kinetics = ArrheniusBM(A=(0.0018877,'m^3/(mol*s)'), n=2.73049, w0=(459,'kJ/mol'), E0=(15.122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7499, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N", + kinetics = ArrheniusBM(A=(193657,'m^3/(mol*s)'), n=0.436425, w0=(459,'kJ/mol'), E0=(31.3559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9200258814674186, var=1.683276880929163, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N + Total Standard Deviation in ln(k): 4.912589378408316"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 4.912589378408316""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 4.912589378408316 +""", +) + +entry( + index = 7500, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R", + kinetics = ArrheniusBM(A=(60957.8,'m^3/(mol*s)'), n=0.603941, w0=(459,'kJ/mol'), E0=(32.6872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.413555803683474, var=3.3356372268372785, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R + Total Standard Deviation in ln(k): 7.213041157190647"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R +Total Standard Deviation in ln(k): 7.213041157190647""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R +Total Standard Deviation in ln(k): 7.213041157190647 +""", +) + +entry( + index = 7501, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_4BrCClO->C", + kinetics = ArrheniusBM(A=(0.127732,'m^3/(mol*s)'), n=2.33942, w0=(459,'kJ/mol'), E0=(32.6902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_4BrCClO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_4BrCClO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_4BrCClO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_4BrCClO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7502, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_N-4BrCClO->C", + kinetics = ArrheniusBM(A=(493885,'m^3/(mol*s)'), n=0.326265, w0=(459,'kJ/mol'), E0=(29.7985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_N-4BrCClO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_N-4BrCClO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_N-4BrCClO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_Ext-4BrCClO-R_N-4BrCClO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7503, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->Cl", + kinetics = ArrheniusBM(A=(2.69629,'m^3/(mol*s)'), n=2.24635, w0=(459,'kJ/mol'), E0=(-0.690096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7504, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl", + kinetics = ArrheniusBM(A=(1183.65,'m^3/(mol*s)'), n=1.04262, w0=(459,'kJ/mol'), E0=(21.6909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3427101543116569, var=2.0016707651962995, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl + Total Standard Deviation in ln(k): 3.697388284363074"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl +Total Standard Deviation in ln(k): 3.697388284363074""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl +Total Standard Deviation in ln(k): 3.697388284363074 +""", +) + +entry( + index = 7505, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_4BrCO->Br", + kinetics = ArrheniusBM(A=(1.79987,'m^3/(mol*s)'), n=2.29111, w0=(459,'kJ/mol'), E0=(-11.2049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_4BrCO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_4BrCO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_4BrCO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_4BrCO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7506, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_N-4BrCO->Br", + kinetics = ArrheniusBM(A=(174.1,'m^3/(mol*s)'), n=1.28003, w0=(459,'kJ/mol'), E0=(17.5015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9137713507337669, var=3.0307858996940835, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_N-4BrCO->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_N-4BrCO->Br + Total Standard Deviation in ln(k): 5.785981780262348"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_N-4BrCO->Br +Total Standard Deviation in ln(k): 5.785981780262348""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->Cl_N-4BrCO->Br +Total Standard Deviation in ln(k): 5.785981780262348 +""", +) + +entry( + index = 7507, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(2.325e+06,'m^3/(mol*s)'), n=3.66032e-08, w0=(459,'kJ/mol'), E0=(113.553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_3O-u1_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7508, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_N-3O-u1", + kinetics = ArrheniusBM(A=(2630,'m^3/(mol*s)'), n=1.2, w0=(459,'kJ/mol'), E0=(32.1409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_N-3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_N-3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_1O-u0_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7509, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0", + kinetics = ArrheniusBM(A=(4.9593e-09,'m^3/(mol*s)'), n=4.11837, w0=(459,'kJ/mol'), E0=(-17.5511,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.442726503164232, var=54.955932934445656, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0 + Total Standard Deviation in ln(k): 23.511622575528445"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0 +Total Standard Deviation in ln(k): 23.511622575528445""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0 +Total Standard Deviation in ln(k): 23.511622575528445 +""", +) + +entry( + index = 7510, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R", + kinetics = ArrheniusBM(A=(4.97974e-09,'m^3/(mol*s)'), n=4.11776, w0=(459,'kJ/mol'), E0=(-17.5268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.7002529542674556, var=54.2432926767747, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R + Total Standard Deviation in ln(k): 24.062001031277983"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R +Total Standard Deviation in ln(k): 24.062001031277983""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R +Total Standard Deviation in ln(k): 24.062001031277983 +""", +) + +entry( + index = 7511, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N", + kinetics = ArrheniusBM(A=(0.360469,'m^3/(mol*s)'), n=1.94409, w0=(459,'kJ/mol'), E0=(142.172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28394019982205726, var=3.2637440495764487, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N + Total Standard Deviation in ln(k): 4.335138959609927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N +Total Standard Deviation in ln(k): 4.335138959609927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N +Total Standard Deviation in ln(k): 4.335138959609927 +""", +) + +entry( + index = 7512, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(2.41437,'m^3/(mol*s)'), n=1.7089, w0=(459,'kJ/mol'), E0=(138.985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7513, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N", + kinetics = ArrheniusBM(A=(2.60345,'m^3/(mol*s)'), n=1.60835, w0=(459,'kJ/mol'), E0=(7.08596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.777092821404848, var=1.5478563917320947, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N + Total Standard Deviation in ln(k): 6.959205922513535"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N +Total Standard Deviation in ln(k): 6.959205922513535""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N +Total Standard Deviation in ln(k): 6.959205922513535 +""", +) + +entry( + index = 7514, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R", + kinetics = ArrheniusBM(A=(438518,'m^3/(mol*s)'), n=0.230287, w0=(459,'kJ/mol'), E0=(47.8499,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.593692271038102, var=4.650565056846266, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R + Total Standard Deviation in ln(k): 8.327496973061042"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R +Total Standard Deviation in ln(k): 8.327496973061042""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R +Total Standard Deviation in ln(k): 8.327496973061042 +""", +) + +entry( + index = 7515, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi", + kinetics = ArrheniusBM(A=(1.50651e+06,'m^3/(mol*s)'), n=0.078402, w0=(459,'kJ/mol'), E0=(47.8732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.2999922067726883, var=6.72229305211092, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi + Total Standard Deviation in ln(k): 13.489191570366874"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi +Total Standard Deviation in ln(k): 13.489191570366874""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi +Total Standard Deviation in ln(k): 13.489191570366874 +""", +) + +entry( + index = 7516, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_4BrCClFIOPSSi->C", + kinetics = ArrheniusBM(A=(1.40612e-07,'m^3/(mol*s)'), n=3.65515, w0=(459,'kJ/mol'), E0=(1.61688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_4BrCClFIOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_4BrCClFIOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_4BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_4BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7517, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_N-4BrCClFIOPSSi->C", + kinetics = ArrheniusBM(A=(3.61264e+06,'m^3/(mol*s)'), n=-0.0276486, w0=(459,'kJ/mol'), E0=(49.1586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_N-4BrCClFIOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_N-4BrCClFIOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_N-4BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_Sp-5R!H-4BrCClFIOPSSi_N-4BrCClFIOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7518, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_N-Sp-5R!H-4BrCClFIOPSSi", + kinetics = ArrheniusBM(A=(48.3739,'m^3/(mol*s)'), n=1.35343, w0=(459,'kJ/mol'), E0=(46.1467,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_N-Sp-5R!H-4BrCClFIOPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_N-Sp-5R!H-4BrCClFIOPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_N-Sp-5R!H-4BrCClFIOPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_Ext-4BrCClFIOPSSi-R_N-Sp-5R!H-4BrCClFIOPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7519, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_4BrCClFIOPSSi->Br", + kinetics = ArrheniusBM(A=(1.61447e+09,'m^3/(mol*s)'), n=-0.558876, w0=(459,'kJ/mol'), E0=(13.1154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_4BrCClFIOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_4BrCClFIOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_4BrCClFIOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_4BrCClFIOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7520, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br", + kinetics = ArrheniusBM(A=(8.98347e+08,'m^3/(mol*s)'), n=-0.97818, w0=(459,'kJ/mol'), E0=(20.1874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6379242613185763, var=5.033720881225961, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br + Total Standard Deviation in ln(k): 8.613202240341774"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br +Total Standard Deviation in ln(k): 8.613202240341774""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br +Total Standard Deviation in ln(k): 8.613202240341774 +""", +) + +entry( + index = 7521, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_4CClO->C", + kinetics = ArrheniusBM(A=(7.29567e+08,'m^3/(mol*s)'), n=-0.953356, w0=(459,'kJ/mol'), E0=(19.9342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.205297173942093, var=2.4151223009433673, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_4CClO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_4CClO->C + Total Standard Deviation in ln(k): 6.1438762356715575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_4CClO->C +Total Standard Deviation in ln(k): 6.1438762356715575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_4CClO->C +Total Standard Deviation in ln(k): 6.1438762356715575 +""", +) + +entry( + index = 7522, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_N-4CClO->C", + kinetics = ArrheniusBM(A=(3523.39,'m^3/(mol*s)'), n=0.999173, w0=(459,'kJ/mol'), E0=(16.9213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_N-4CClO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_N-4CClO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_N-4CClO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_3BrClHINOS->O_N-1O-u0_Ext-3O-R_N-4R!H->N_N-4BrCClFIOPSSi->Br_N-4CClO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7523, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O", + kinetics = ArrheniusBM(A=(1.20203e+10,'m^3/(mol*s)'), n=-0.958191, w0=(420.238,'kJ/mol'), E0=(93.7482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08505359670344341, var=24.508795360839255, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O + Total Standard Deviation in ln(k): 10.138415856589432"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 10.138415856589432""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 10.138415856589432 +""", +) + +entry( + index = 7524, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl", + kinetics = ArrheniusBM(A=(48755.3,'m^3/(mol*s)'), n=1.09295, w0=(443.5,'kJ/mol'), E0=(30.5894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21358216292855628, var=2.5624348854098837, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl + Total Standard Deviation in ln(k): 3.745739767921758"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl +Total Standard Deviation in ln(k): 3.745739767921758""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl +Total Standard Deviation in ln(k): 3.745739767921758 +""", +) + +entry( + index = 7525, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_1O-u0", + kinetics = ArrheniusBM(A=(5.80362,'m^3/(mol*s)'), n=2.28222, w0=(443.5,'kJ/mol'), E0=(14.9583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_1O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_1O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7526, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_N-1O-u0", + kinetics = ArrheniusBM(A=(6.91345,'m^3/(mol*s)'), n=2.13065, w0=(443.5,'kJ/mol'), E0=(18.4948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_N-1O-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_N-1O-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_N-1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_3BrClHINS->Cl_N-1O-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7527, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl", + kinetics = ArrheniusBM(A=(1.38394e+10,'m^3/(mol*s)'), n=-0.976081, w0=(419.075,'kJ/mol'), E0=(93.9555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08605659897456301, var=24.467331999916475, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl + Total Standard Deviation in ln(k): 10.132537219418804"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl +Total Standard Deviation in ln(k): 10.132537219418804""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl +Total Standard Deviation in ln(k): 10.132537219418804 +""", +) + +entry( + index = 7528, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0", + kinetics = ArrheniusBM(A=(4.30384e+20,'m^3/(mol*s)'), n=-3.83352, w0=(420.022,'kJ/mol'), E0=(144.272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7263150263423637, var=18.357442498837823, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0 + Total Standard Deviation in ln(k): 10.41431706692274"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0 +Total Standard Deviation in ln(k): 10.41431706692274""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0 +Total Standard Deviation in ln(k): 10.41431706692274 +""", +) + +entry( + index = 7529, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1", + kinetics = ArrheniusBM(A=(6.96605e+18,'m^3/(mol*s)'), n=-3.38709, w0=(419.909,'kJ/mol'), E0=(123.648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5368577408688452, var=15.525507013641986, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1 + Total Standard Deviation in ln(k): 9.248030145722373"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1 +Total Standard Deviation in ln(k): 9.248030145722373""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1 +Total Standard Deviation in ln(k): 9.248030145722373 +""", +) + +entry( + index = 7530, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_3BrHINS->I", + kinetics = ArrheniusBM(A=(775.495,'m^3/(mol*s)'), n=2.18232, w0=(377,'kJ/mol'), E0=(45.0722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.7194804212306853, var=1.1377941283542146, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_3BrHINS->I',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_3BrHINS->I + Total Standard Deviation in ln(k): 8.971264827431757"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_3BrHINS->I +Total Standard Deviation in ln(k): 8.971264827431757""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_3BrHINS->I +Total Standard Deviation in ln(k): 8.971264827431757 +""", +) + +entry( + index = 7531, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I", + kinetics = ArrheniusBM(A=(1.33514e+18,'m^3/(mol*s)'), n=-3.21345, w0=(424.2,'kJ/mol'), E0=(121.913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.49441393746135054, var=12.204423717185295, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I + Total Standard Deviation in ln(k): 8.245754056957374"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I +Total Standard Deviation in ln(k): 8.245754056957374""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I +Total Standard Deviation in ln(k): 8.245754056957374 +""", +) + +entry( + index = 7532, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N", + kinetics = ArrheniusBM(A=(2.22675e+18,'m^3/(mol*s)'), n=-3.27951, w0=(422.5,'kJ/mol'), E0=(122.716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.49007003142069827, var=11.983946534333016, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N + Total Standard Deviation in ln(k): 8.171290994049322"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N +Total Standard Deviation in ln(k): 8.171290994049322""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N +Total Standard Deviation in ln(k): 8.171290994049322 +""", +) + +entry( + index = 7533, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R", + kinetics = ArrheniusBM(A=(3.74059e+14,'m^3/(mol*s)'), n=-2.19881, w0=(422.5,'kJ/mol'), E0=(107.778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.48876652788021085, var=9.499537807419555, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R + Total Standard Deviation in ln(k): 7.406914782452671"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R +Total Standard Deviation in ln(k): 7.406914782452671""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R +Total Standard Deviation in ln(k): 7.406914782452671 +""", +) + +entry( + index = 7534, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.1173e+24,'m^3/(mol*s)'), n=-5.16017, w0=(422.5,'kJ/mol'), E0=(125.877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0261193000558628, var=79.1680451090545, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 20.415605565722704"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 20.415605565722704""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 20.415605565722704 +""", +) + +entry( + index = 7535, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(101.282,'m^3/(mol*s)'), n=1.19129, w0=(422.5,'kJ/mol'), E0=(12.3085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7536, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1.84024e+24,'m^3/(mol*s)'), n=-5.22294, w0=(422.5,'kJ/mol'), E0=(127.101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9693374742352158, var=84.44456029240031, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 20.857777956516053"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 20.857777956516053""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 20.857777956516053 +""", +) + +entry( + index = 7537, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->N", + kinetics = ArrheniusBM(A=(711.903,'m^3/(mol*s)'), n=1.63497, w0=(422.5,'kJ/mol'), E0=(9.46684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_5R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7538, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N", + kinetics = ArrheniusBM(A=(3.30492e+22,'m^3/(mol*s)'), n=-4.76294, w0=(422.5,'kJ/mol'), E0=(123.518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3221578022273683, var=141.62036256254834, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N + Total Standard Deviation in ln(k): 27.179224798468532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N +Total Standard Deviation in ln(k): 27.179224798468532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N +Total Standard Deviation in ln(k): 27.179224798468532 +""", +) + +entry( + index = 7539, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_4R!H->N", + kinetics = ArrheniusBM(A=(0.433482,'m^3/(mol*s)'), n=2.01247, w0=(422.5,'kJ/mol'), E0=(22.8258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7540, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_N-4R!H->N", + kinetics = ArrheniusBM(A=(34068.1,'m^3/(mol*s)'), n=0.171192, w0=(422.5,'kJ/mol'), E0=(95.4231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_N-4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_N-4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-5R!H->N_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7541, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N", + kinetics = ArrheniusBM(A=(1.48844e+06,'m^3/(mol*s)'), n=0.223933, w0=(422.5,'kJ/mol'), E0=(77.3914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5710306141182901, var=6.591452297798206, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N + Total Standard Deviation in ln(k): 6.581671805943235"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N +Total Standard Deviation in ln(k): 6.581671805943235""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N +Total Standard Deviation in ln(k): 6.581671805943235 +""", +) + +entry( + index = 7542, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C", + kinetics = ArrheniusBM(A=(1.31754,'m^3/(mol*s)'), n=1.95142, w0=(422.5,'kJ/mol'), E0=(26.3584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7543, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C", + kinetics = ArrheniusBM(A=(4.79186e+09,'m^3/(mol*s)'), n=-0.780272, w0=(422.5,'kJ/mol'), E0=(93.601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03659661717553641, var=4.923287434576908, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C + Total Standard Deviation in ln(k): 4.540154162534019"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 4.540154162534019""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 4.540154162534019 +""", +) + +entry( + index = 7544, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R", + kinetics = ArrheniusBM(A=(5.94705,'m^3/(mol*s)'), n=1.71791, w0=(422.5,'kJ/mol'), E0=(42.8129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7545, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N", + kinetics = ArrheniusBM(A=(66.5206,'m^3/(mol*s)'), n=1.41361, w0=(422.5,'kJ/mol'), E0=(52.4452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7546, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + kinetics = ArrheniusBM(A=(891.078,'m^3/(mol*s)'), n=1.54038, w0=(422.5,'kJ/mol'), E0=(65.4009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7547, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N", + kinetics = ArrheniusBM(A=(7.15239e+21,'m^3/(mol*s)'), n=-4.1575, w0=(422.5,'kJ/mol'), E0=(132.997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.764913203006296, var=52.28055925933941, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N + Total Standard Deviation in ln(k): 16.41718892060327"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N +Total Standard Deviation in ln(k): 16.41718892060327""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N +Total Standard Deviation in ln(k): 16.41718892060327 +""", +) + +entry( + index = 7548, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C", + kinetics = ArrheniusBM(A=(0.132577,'m^3/(mol*s)'), n=2.25635, w0=(422.5,'kJ/mol'), E0=(113.868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7549, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C", + kinetics = ArrheniusBM(A=(665.518,'m^3/(mol*s)'), n=1.34482, w0=(422.5,'kJ/mol'), E0=(51.1417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1733628481073973, var=0.9950346387187559, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C + Total Standard Deviation in ln(k): 2.4353368122414123"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 2.4353368122414123""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 2.4353368122414123 +""", +) + +entry( + index = 7550, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N", + kinetics = ArrheniusBM(A=(16.7903,'m^3/(mol*s)'), n=1.83259, w0=(422.5,'kJ/mol'), E0=(34.7295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7551, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + kinetics = ArrheniusBM(A=(1.3137,'m^3/(mol*s)'), n=2.08986, w0=(422.5,'kJ/mol'), E0=(34.9036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_3BrHNS->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7552, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N", + kinetics = ArrheniusBM(A=(3.39038e+21,'m^3/(mol*s)'), n=-3.83014, w0=(428.167,'kJ/mol'), E0=(106.879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08958773700340661, var=30.529625935589674, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N + Total Standard Deviation in ln(k): 11.301981961105193"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N +Total Standard Deviation in ln(k): 11.301981961105193""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N +Total Standard Deviation in ln(k): 11.301981961105193 +""", +) + +entry( + index = 7553, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_3BrHS->H", + kinetics = ArrheniusBM(A=(12.558,'m^3/(mol*s)'), n=1.99933, w0=(445.5,'kJ/mol'), E0=(105.745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.3808663307458233, var=29.190043764648205, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_3BrHS->H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_3BrHS->H + Total Standard Deviation in ln(k): 16.813221022409657"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_3BrHS->H +Total Standard Deviation in ln(k): 16.813221022409657""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_3BrHS->H +Total Standard Deviation in ln(k): 16.813221022409657 +""", +) + +entry( + index = 7554, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H", + kinetics = ArrheniusBM(A=(6.18057e+07,'m^3/(mol*s)'), n=0.113226, w0=(410.833,'kJ/mol'), E0=(48.1496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03645335069304847, var=4.708597776427252, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H + Total Standard Deviation in ln(k): 4.441726845833522"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H +Total Standard Deviation in ln(k): 4.441726845833522""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H +Total Standard Deviation in ln(k): 4.441726845833522 +""", +) + +entry( + index = 7555, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_3BrS->Br", + kinetics = ArrheniusBM(A=(5.3285e+07,'m^3/(mol*s)'), n=0.00316516, w0=(410.5,'kJ/mol'), E0=(24.3449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_3BrS->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_3BrS->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_3BrS->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_3BrS->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7556, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br", + kinetics = ArrheniusBM(A=(5.98738e+07,'m^3/(mol*s)'), n=0.119229, w0=(411,'kJ/mol'), E0=(48.2523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03526759864803587, var=5.091445532995396, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br + Total Standard Deviation in ln(k): 4.612142740082818"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br +Total Standard Deviation in ln(k): 4.612142740082818""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br +Total Standard Deviation in ln(k): 4.612142740082818 +""", +) + +entry( + index = 7557, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br_Ext-3S-R", + kinetics = ArrheniusBM(A=(4.21072e+06,'m^3/(mol*s)'), n=0.48475, w0=(411,'kJ/mol'), E0=(22.6948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br_Ext-3S-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br_Ext-3S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br_Ext-3S-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_3BrHINS-u1_N-3BrHINS->I_N-3BrHNS->N_N-3BrHS->H_N-3BrS->Br_Ext-3S-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7558, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_N-3BrHINS-u1", + kinetics = ArrheniusBM(A=(4.38326,'m^3/(mol*s)'), n=2.06662, w0=(422.5,'kJ/mol'), E0=(129.965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_N-3BrHINS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_N-3BrHINS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_N-3BrHINS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_1O-u0_N-3BrHINS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7559, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0", + kinetics = ArrheniusBM(A=(1.06205,'m^3/(mol*s)'), n=1.77152, w0=(417.794,'kJ/mol'), E0=(42.8582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.564073822320439, var=38.83839760287422, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0 + Total Standard Deviation in ln(k): 13.910872171783872"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0 +Total Standard Deviation in ln(k): 13.910872171783872""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0 +Total Standard Deviation in ln(k): 13.910872171783872 +""", +) + +entry( + index = 7560, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1", + kinetics = ArrheniusBM(A=(4.96325e+16,'m^3/(mol*s)'), n=-2.98888, w0=(417.5,'kJ/mol'), E0=(112.974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17801896393193528, var=10.85825545626385, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1 + Total Standard Deviation in ln(k): 7.053260213836143"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1 +Total Standard Deviation in ln(k): 7.053260213836143""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1 +Total Standard Deviation in ln(k): 7.053260213836143 +""", +) + +entry( + index = 7561, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_3BrHINS->Br", + kinetics = ArrheniusBM(A=(46087.6,'m^3/(mol*s)'), n=0.975099, w0=(410.5,'kJ/mol'), E0=(27.7679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_3BrHINS->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_3BrHINS->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_3BrHINS->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_3BrHINS->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7562, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br", + kinetics = ArrheniusBM(A=(5.58554e+16,'m^3/(mol*s)'), n=-3.00409, w0=(417.967,'kJ/mol'), E0=(113.162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17643293908063917, var=10.768028868023178, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br + Total Standard Deviation in ln(k): 7.021771818362784"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br +Total Standard Deviation in ln(k): 7.021771818362784""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br +Total Standard Deviation in ln(k): 7.021771818362784 +""", +) + +entry( + index = 7563, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N", + kinetics = ArrheniusBM(A=(2.31748e+16,'m^3/(mol*s)'), n=-2.92289, w0=(422.5,'kJ/mol'), E0=(112.739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1140346016979284, var=7.684741681562253, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N + Total Standard Deviation in ln(k): 5.84391870855191"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N +Total Standard Deviation in ln(k): 5.84391870855191""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N +Total Standard Deviation in ln(k): 5.84391870855191 +""", +) + +entry( + index = 7564, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R", + kinetics = ArrheniusBM(A=(7.04678e+14,'m^3/(mol*s)'), n=-2.48712, w0=(422.5,'kJ/mol'), E0=(106.177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09216789569329574, var=6.594675299614736, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R + Total Standard Deviation in ln(k): 5.379757329859877"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R +Total Standard Deviation in ln(k): 5.379757329859877""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R +Total Standard Deviation in ln(k): 5.379757329859877 +""", +) + +entry( + index = 7565, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5543.86,'m^3/(mol*s)'), n=0.656926, w0=(422.5,'kJ/mol'), E0=(69.6308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1597557241930307, var=0.7585261615799139, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.147388380562691"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.147388380562691""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.147388380562691 +""", +) + +entry( + index = 7566, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_5R!H->O", + kinetics = ArrheniusBM(A=(49.7081,'m^3/(mol*s)'), n=1.37967, w0=(422.5,'kJ/mol'), E0=(72.1006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7567, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(627580,'m^3/(mol*s)'), n=-0.0540584, w0=(422.5,'kJ/mol'), E0=(67.886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.076643843439947, var=12.666615142325588, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O + Total Standard Deviation in ln(k): 12.352588019691881"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O +Total Standard Deviation in ln(k): 12.352588019691881""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O +Total Standard Deviation in ln(k): 12.352588019691881 +""", +) + +entry( + index = 7568, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_4R!H->N", + kinetics = ArrheniusBM(A=(485.438,'m^3/(mol*s)'), n=0.887864, w0=(422.5,'kJ/mol'), E0=(64.6924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7569, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_N-4R!H->N", + kinetics = ArrheniusBM(A=(1.07027e+18,'m^3/(mol*s)'), n=-4.01246, w0=(422.5,'kJ/mol'), E0=(55.5311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_N-4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_N-4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Ext-4R!H-R_N-5R!H->O_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7570, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N", + kinetics = ArrheniusBM(A=(3.91732e+17,'m^3/(mol*s)'), n=-3.29318, w0=(422.5,'kJ/mol'), E0=(112.075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5327586096193189, var=17.072460824047923, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N + Total Standard Deviation in ln(k): 9.621921154391242"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N +Total Standard Deviation in ln(k): 9.621921154391242""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N +Total Standard Deviation in ln(k): 9.621921154391242 +""", +) + +entry( + index = 7571, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->N", + kinetics = ArrheniusBM(A=(1001.94,'m^3/(mol*s)'), n=0.82515, w0=(422.5,'kJ/mol'), E0=(88.5035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7572, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N", + kinetics = ArrheniusBM(A=(1.6326e+21,'m^3/(mol*s)'), n=-4.32275, w0=(422.5,'kJ/mol'), E0=(119.613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3349928206817907, var=17.52961500035006, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N + Total Standard Deviation in ln(k): 9.235192119584047"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N +Total Standard Deviation in ln(k): 9.235192119584047""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N +Total Standard Deviation in ln(k): 9.235192119584047 +""", +) + +entry( + index = 7573, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_Ext-3N-R", + kinetics = ArrheniusBM(A=(300.949,'m^3/(mol*s)'), n=0.982365, w0=(422.5,'kJ/mol'), E0=(56.3165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_Ext-3N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_Ext-3N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7574, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_4CO->C", + kinetics = ArrheniusBM(A=(1534.32,'m^3/(mol*s)'), n=0.825662, w0=(422.5,'kJ/mol'), E0=(117.221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7575, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_N-4CO->C", + kinetics = ArrheniusBM(A=(9.32764e+06,'m^3/(mol*s)'), n=0.16557, w0=(422.5,'kJ/mol'), E0=(69.1866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_N-4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_N-4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->N_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7576, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N", + kinetics = ArrheniusBM(A=(1.93815e+08,'m^3/(mol*s)'), n=-0.520703, w0=(422.5,'kJ/mol'), E0=(100.635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08932685262276996, var=5.949352303534827, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N + Total Standard Deviation in ln(k): 5.114247624923444"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N +Total Standard Deviation in ln(k): 5.114247624923444""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N +Total Standard Deviation in ln(k): 5.114247624923444 +""", +) + +entry( + index = 7577, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C", + kinetics = ArrheniusBM(A=(446.16,'m^3/(mol*s)'), n=0.994826, w0=(422.5,'kJ/mol'), E0=(94.6541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7578, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C", + kinetics = ArrheniusBM(A=(18960,'m^3/(mol*s)'), n=0.677991, w0=(422.5,'kJ/mol'), E0=(86.0584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.056430506496824503, var=4.411267024257342, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C + Total Standard Deviation in ln(k): 4.352333584624891"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 4.352333584624891""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 4.352333584624891 +""", +) + +entry( + index = 7579, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N", + kinetics = ArrheniusBM(A=(2500.95,'m^3/(mol*s)'), n=0.960868, w0=(422.5,'kJ/mol'), E0=(78.9192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7580, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + kinetics = ArrheniusBM(A=(549.168,'m^3/(mol*s)'), n=1.08787, w0=(422.5,'kJ/mol'), E0=(86.7648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_3HIN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7581, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N", + kinetics = ArrheniusBM(A=(74.6016,'m^3/(mol*s)'), n=2.12485, w0=(399.833,'kJ/mol'), E0=(46.4028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.2448511768250294, var=1.0931164544654466, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N + Total Standard Deviation in ln(k): 7.736324411244456"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N +Total Standard Deviation in ln(k): 7.736324411244456""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N +Total Standard Deviation in ln(k): 7.736324411244456 +""", +) + +entry( + index = 7582, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_3HI->I", + kinetics = ArrheniusBM(A=(0.692694,'m^3/(mol*s)'), n=2.7087, w0=(377,'kJ/mol'), E0=(20.2022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.7562045612256285, var=0.0024860318292229434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_3HI->I',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_3HI->I + Total Standard Deviation in ln(k): 7.02509342531708"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_3HI->I +Total Standard Deviation in ln(k): 7.02509342531708""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_3HI->I +Total Standard Deviation in ln(k): 7.02509342531708 +""", +) + +entry( + index = 7583, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_N-3HI->I", + kinetics = ArrheniusBM(A=(71.5509,'m^3/(mol*s)'), n=1.50483, w0=(445.5,'kJ/mol'), E0=(93.057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_N-3HI->I',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_N-3HI->I + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_N-3HI->I +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_3BrHINS-u1_N-3BrHINS->Br_N-3HIN->N_N-3HI->I +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7584, + label = "Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_N-3BrHINS-u1", + kinetics = ArrheniusBM(A=(3.129e+08,'m^3/(mol*s)'), n=-0.694901, w0=(422.5,'kJ/mol'), E0=(16.0011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_N-3BrHINS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_N-3BrHINS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_N-3BrHINS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_1R->O_N-3BrClHINOS->O_N-3BrClHINS->Cl_N-1O-u0_N-3BrHINS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7585, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O", + kinetics = ArrheniusBM(A=(3.4859e-06,'m^3/(mol*s)'), n=3.65078, w0=(411.739,'kJ/mol'), E0=(21.0005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3431467535327746, var=14.076212838732753, Tref=1000.0, N=213, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O',), comment="""BM rule fitted to 213 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O + Total Standard Deviation in ln(k): 8.383598834299244"""), + rank = 11, + shortDesc = """BM rule fitted to 213 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O +Total Standard Deviation in ln(k): 8.383598834299244""", + longDesc = +""" +BM rule fitted to 213 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O +Total Standard Deviation in ln(k): 8.383598834299244 +""", +) + +entry( + index = 7586, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I", + kinetics = ArrheniusBM(A=(3.60724e+23,'m^3/(mol*s)'), n=-4.84075, w0=(373.143,'kJ/mol'), E0=(97.3764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.44339453067271, var=12.675672709542441, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I + Total Standard Deviation in ln(k): 10.76405987567874"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I +Total Standard Deviation in ln(k): 10.76405987567874""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I +Total Standard Deviation in ln(k): 10.76405987567874 +""", +) + +entry( + index = 7587, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(1.65663e+27,'m^3/(mol*s)'), n=-5.93882, w0=(371.6,'kJ/mol'), E0=(108.961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9194091423920998, var=23.6675874266796, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1 + Total Standard Deviation in ln(k): 14.575540823427842"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 14.575540823427842""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 14.575540823427842 +""", +) + +entry( + index = 7588, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O", + kinetics = ArrheniusBM(A=(1.70407e+36,'m^3/(mol*s)'), n=-8.68996, w0=(377,'kJ/mol'), E0=(138.271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.661404052639263, var=33.48254078000767, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O + Total Standard Deviation in ln(k): 18.287163970982704"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O +Total Standard Deviation in ln(k): 18.287163970982704""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O +Total Standard Deviation in ln(k): 18.287163970982704 +""", +) + +entry( + index = 7589, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(34235.1,'m^3/(mol*s)'), n=-0.255434, w0=(377,'kJ/mol'), E0=(44.8311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7590, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_N-3BrClHINOS->O", + kinetics = ArrheniusBM(A=(7.37582e+07,'m^3/(mol*s)'), n=-0.140881, w0=(363.5,'kJ/mol'), E0=(32.8682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017264992398235916, var=0.15410406158454915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_N-3BrClHINOS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_N-3BrClHINOS->O + Total Standard Deviation in ln(k): 0.8303599876412471"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 0.8303599876412471""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_3BrClHINOS-u1_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 0.8303599876412471 +""", +) + +entry( + index = 7591, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_N-3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(4.65365e+07,'m^3/(mol*s)'), n=-0.166092, w0=(377,'kJ/mol'), E0=(42.1335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23406149103950216, var=0.010005442716076162, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_N-3BrClHINOS-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_N-3BrClHINOS-u1 + Total Standard Deviation in ln(k): 0.7886222549289946"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 0.7886222549289946""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_1BrCClFHINS->I_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 0.7886222549289946 +""", +) + +entry( + index = 7592, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I", + kinetics = ArrheniusBM(A=(4.07464e-06,'m^3/(mol*s)'), n=3.62641, w0=(413.051,'kJ/mol'), E0=(20.8639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3481926979321946, var=14.051785116586492, Tref=1000.0, N=206, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I',), comment="""BM rule fitted to 206 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I + Total Standard Deviation in ln(k): 8.38974795239108"""), + rank = 11, + shortDesc = """BM rule fitted to 206 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I +Total Standard Deviation in ln(k): 8.38974795239108""", + longDesc = +""" +BM rule fitted to 206 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I +Total Standard Deviation in ln(k): 8.38974795239108 +""", +) + +entry( + index = 7593, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F", + kinetics = ArrheniusBM(A=(55.1309,'m^3/(mol*s)'), n=1.85075, w0=(504.955,'kJ/mol'), E0=(34.47,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34847761630900875, var=11.286823337407037, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F + Total Standard Deviation in ln(k): 7.6106533651980905"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F +Total Standard Deviation in ln(k): 7.6106533651980905""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F +Total Standard Deviation in ln(k): 7.6106533651980905 +""", +) + +entry( + index = 7594, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_3BrClHINOS->Br", + kinetics = ArrheniusBM(A=(1.59949e+07,'m^3/(mol*s)'), n=0.229493, w0=(463.5,'kJ/mol'), E0=(49.4512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_3BrClHINOS->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_3BrClHINOS->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_3BrClHINOS->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_3BrClHINOS->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7595, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br", + kinetics = ArrheniusBM(A=(178.235,'m^3/(mol*s)'), n=1.68586, w0=(509.1,'kJ/mol'), E0=(34.4699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.37875811159456135, var=11.765471308444612, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br + Total Standard Deviation in ln(k): 7.8280618167263345"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br +Total Standard Deviation in ln(k): 7.8280618167263345""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br +Total Standard Deviation in ln(k): 7.8280618167263345 +""", +) + +entry( + index = 7596, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1", + kinetics = ArrheniusBM(A=(146.863,'m^3/(mol*s)'), n=1.71091, w0=(508.778,'kJ/mol'), E0=(34.47,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3783776259276088, var=12.227058346563833, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1 + Total Standard Deviation in ln(k): 7.960696967625445"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1 +Total Standard Deviation in ln(k): 7.960696967625445""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1 +Total Standard Deviation in ln(k): 7.960696967625445 +""", +) + +entry( + index = 7597, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O", + kinetics = ArrheniusBM(A=(1.48295,'m^3/(mol*s)'), n=2.0817, w0=(512,'kJ/mol'), E0=(-10.169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49096909849288906, var=18.215108803941323, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O + Total Standard Deviation in ln(k): 9.789632039957699"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O +Total Standard Deviation in ln(k): 9.789632039957699""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O +Total Standard Deviation in ln(k): 9.789632039957699 +""", +) + +entry( + index = 7598, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(5.70559e+09,'m^3/(mol*s)'), n=-0.650883, w0=(512,'kJ/mol'), E0=(86.3584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4391170753198945, var=15.272724872647904, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R + Total Standard Deviation in ln(k): 11.45044364224677"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 11.45044364224677""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 11.45044364224677 +""", +) + +entry( + index = 7599, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0", + kinetics = ArrheniusBM(A=(0.0179182,'m^3/(mol*s)'), n=2.62276, w0=(512,'kJ/mol'), E0=(24.8152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2940152726293475, var=9.33262945463618, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0 + Total Standard Deviation in ln(k): 9.375630533624259"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 9.375630533624259""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 9.375630533624259 +""", +) + +entry( + index = 7600, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C", + kinetics = ArrheniusBM(A=(2.26096e+07,'m^3/(mol*s)'), n=-0.0900371, w0=(512,'kJ/mol'), E0=(42.3976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17495480475998573, var=3.7891960062494183, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C + Total Standard Deviation in ln(k): 4.341973631703657"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C +Total Standard Deviation in ln(k): 4.341973631703657""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C +Total Standard Deviation in ln(k): 4.341973631703657 +""", +) + +entry( + index = 7601, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.08575e+07,'m^3/(mol*s)'), n=-0.153068, w0=(512,'kJ/mol'), E0=(31.0763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16599669669135497, var=0.504192638738683, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 1.8405698123132586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.8405698123132586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 1.8405698123132586 +""", +) + +entry( + index = 7602, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C", + kinetics = ArrheniusBM(A=(39.816,'m^3/(mol*s)'), n=1.68769, w0=(512,'kJ/mol'), E0=(66.2981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0214742301500044, var=13.911473206405516, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C + Total Standard Deviation in ln(k): 12.556359385108765"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C +Total Standard Deviation in ln(k): 12.556359385108765""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C +Total Standard Deviation in ln(k): 12.556359385108765 +""", +) + +entry( + index = 7603, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_4FO->O", + kinetics = ArrheniusBM(A=(36973.5,'m^3/(mol*s)'), n=0.804198, w0=(512,'kJ/mol'), E0=(42.2404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_4FO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_4FO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_4FO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_4FO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7604, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_N-4FO->O", + kinetics = ArrheniusBM(A=(6.88883e-05,'m^3/(mol*s)'), n=3.34126, w0=(512,'kJ/mol'), E0=(37.6071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_N-4FO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_N-4FO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_N-4FO->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->C_N-4FO->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7605, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(2.96712e+06,'m^3/(mol*s)'), n=0.649673, w0=(512,'kJ/mol'), E0=(80.4866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_3ClHINOS->O_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7606, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O", + kinetics = ArrheniusBM(A=(6371.63,'m^3/(mol*s)'), n=1.45079, w0=(497.5,'kJ/mol'), E0=(26.6524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03730632332214197, var=0.7338658079150238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O + Total Standard Deviation in ln(k): 1.8111101912696508"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O +Total Standard Deviation in ln(k): 1.8111101912696508""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O +Total Standard Deviation in ln(k): 1.8111101912696508 +""", +) + +entry( + index = 7607, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_3ClH->Cl", + kinetics = ArrheniusBM(A=(17100.1,'m^3/(mol*s)'), n=1.26748, w0=(496.5,'kJ/mol'), E0=(34.3097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_3ClH->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_3ClH->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_3ClH->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_3ClH->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7608, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_N-3ClH->Cl", + kinetics = ArrheniusBM(A=(2374.12,'m^3/(mol*s)'), n=1.63411, w0=(498.5,'kJ/mol'), E0=(30.2582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_N-3ClH->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_N-3ClH->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_N-3ClH->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_3ClHINOS-u1_N-3ClHINOS->O_N-3ClH->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7609, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_N-3ClHINOS-u1", + kinetics = ArrheniusBM(A=(2.96486e+06,'m^3/(mol*s)'), n=0.439683, w0=(512,'kJ/mol'), E0=(31.7828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_N-3ClHINOS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_N-3ClHINOS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_N-3ClHINOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_1BrCClFHNS->F_N-3BrClHINOS->Br_N-3ClHINOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7610, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F", + kinetics = ArrheniusBM(A=(4.01563e-06,'m^3/(mol*s)'), n=3.62815, w0=(407.867,'kJ/mol'), E0=(20.8402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3491917177133792, var=14.056195634556945, Tref=1000.0, N=195, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F',), comment="""BM rule fitted to 195 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F + Total Standard Deviation in ln(k): 8.393437331887442"""), + rank = 11, + shortDesc = """BM rule fitted to 195 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F +Total Standard Deviation in ln(k): 8.393437331887442""", + longDesc = +""" +BM rule fitted to 195 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F +Total Standard Deviation in ln(k): 8.393437331887442 +""", +) + +entry( + index = 7611, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S", + kinetics = ArrheniusBM(A=(884578,'m^3/(mol*s)'), n=0.478931, w0=(373.761,'kJ/mol'), E0=(31.6799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04913935245339981, var=0.46113963410112524, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S + Total Standard Deviation in ln(k): 1.4848264271351206"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S +Total Standard Deviation in ln(k): 1.4848264271351206""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S +Total Standard Deviation in ln(k): 1.4848264271351206 +""", +) + +entry( + index = 7612, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S", + kinetics = ArrheniusBM(A=(40517.5,'m^3/(mol*s)'), n=0.861404, w0=(363,'kJ/mol'), E0=(37.2524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.159604729394592, var=5.948699485077175, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S + Total Standard Deviation in ln(k): 5.2905569196917925"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S +Total Standard Deviation in ln(k): 5.2905569196917925""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S +Total Standard Deviation in ln(k): 5.2905569196917925 +""", +) + +entry( + index = 7613, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0", + kinetics = ArrheniusBM(A=(0.000144908,'m^3/(mol*s)'), n=3.42574, w0=(363,'kJ/mol'), E0=(12.6371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.26214803937808, var=8.870593945590825, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0 + Total Standard Deviation in ln(k): 9.142037436207739"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0 +Total Standard Deviation in ln(k): 9.142037436207739""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0 +Total Standard Deviation in ln(k): 9.142037436207739 +""", +) + +entry( + index = 7614, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1", + kinetics = ArrheniusBM(A=(525.719,'m^3/(mol*s)'), n=1.45045, w0=(363,'kJ/mol'), E0=(37.2699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3449074989697134, var=26.075527306852518, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1 + Total Standard Deviation in ln(k): 13.616184274529141"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1 +Total Standard Deviation in ln(k): 13.616184274529141""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1 +Total Standard Deviation in ln(k): 13.616184274529141 +""", +) + +entry( + index = 7615, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R", + kinetics = ArrheniusBM(A=(458.312,'m^3/(mol*s)'), n=1.47183, w0=(363,'kJ/mol'), E0=(37.2965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.357484852733083, var=30.235098774371863, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R + Total Standard Deviation in ln(k): 14.434092824626912"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R +Total Standard Deviation in ln(k): 14.434092824626912""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R +Total Standard Deviation in ln(k): 14.434092824626912 +""", +) + +entry( + index = 7616, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.3294e-10,'m^3/(mol*s)'), n=4.57945, w0=(363,'kJ/mol'), E0=(-22.3658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11730329970516205, var=104.64697005276489, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 20.802590707458208"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 20.802590707458208""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 20.802590707458208 +""", +) + +entry( + index = 7617, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(3.07689e-07,'m^3/(mol*s)'), n=3.08158, w0=(363,'kJ/mol'), E0=(13.9233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15387687513227788, var=879.4654975220977, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_Sp-5R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 59.83861482974408"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 59.83861482974408""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 59.83861482974408 +""", +) + +entry( + index = 7618, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(2.31259e-10,'m^3/(mol*s)'), n=5.03668, w0=(363,'kJ/mol'), E0=(8.14515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3340934969902533, var=35.67610187889656, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 12.813608272548116"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 12.813608272548116""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 12.813608272548116 +""", +) + +entry( + index = 7619, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000190539,'m^3/(mol*s)'), n=3.27938, w0=(363,'kJ/mol'), E0=(26.5412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16092651376084785, var=34.59336529080622, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 12.195412811942646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 12.195412811942646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 12.195412811942646 +""", +) + +entry( + index = 7620, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000132636,'m^3/(mol*s)'), n=3.44908, w0=(363,'kJ/mol'), E0=(25.8574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36044995085472115, var=164.8344131490541, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 26.644016788498156"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 26.644016788498156""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_Ext-4R!H-R_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 26.644016788498156 +""", +) + +entry( + index = 7621, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_4R!H->C", + kinetics = ArrheniusBM(A=(0.00112528,'m^3/(mol*s)'), n=3.16828, w0=(363,'kJ/mol'), E0=(20.1124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03314503718695479, var=41.49856380437718, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_4R!H->C + Total Standard Deviation in ln(k): 12.997657846392467"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_4R!H->C +Total Standard Deviation in ln(k): 12.997657846392467""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_4R!H->C +Total Standard Deviation in ln(k): 12.997657846392467 +""", +) + +entry( + index = 7622, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.0376255,'m^3/(mol*s)'), n=2.69316, w0=(363,'kJ/mol'), E0=(12.6126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.494696168689987, var=9.395895688553319, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_N-4R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_N-4R!H->C + Total Standard Deviation in ln(k): 9.900577376207085"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_N-4R!H->C +Total Standard Deviation in ln(k): 9.900577376207085""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_3S-u1_Ext-3S-R_N-4R!H->C +Total Standard Deviation in ln(k): 9.900577376207085 +""", +) + +entry( + index = 7623, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_N-3S-u1", + kinetics = ArrheniusBM(A=(1.85,'m^3/(mol*s)'), n=2.297, w0=(363,'kJ/mol'), E0=(25.3219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_N-3S-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_N-3S-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_1S-u0_N-3S-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7624, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0", + kinetics = ArrheniusBM(A=(1.94471e+10,'m^3/(mol*s)'), n=-0.89198, w0=(363,'kJ/mol'), E0=(51.9538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36293777201497357, var=5.637284904652559, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0 + Total Standard Deviation in ln(k): 5.671739864311484"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0 +Total Standard Deviation in ln(k): 5.671739864311484""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0 +Total Standard Deviation in ln(k): 5.671739864311484 +""", +) + +entry( + index = 7625, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R", + kinetics = ArrheniusBM(A=(2.11502e+12,'m^3/(mol*s)'), n=-1.40782, w0=(363,'kJ/mol'), E0=(61.3339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.703252307738443, var=24.32466630829035, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R + Total Standard Deviation in ln(k): 11.654327597669681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R +Total Standard Deviation in ln(k): 11.654327597669681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R +Total Standard Deviation in ln(k): 11.654327597669681 +""", +) + +entry( + index = 7626, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_4R!H-u0", + kinetics = ArrheniusBM(A=(0.038766,'m^3/(mol*s)'), n=2.31956, w0=(363,'kJ/mol'), E0=(10.7576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7627, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(145.234,'m^3/(mol*s)'), n=1.7125, w0=(363,'kJ/mol'), E0=(26.8408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_3BrClHINOS->S_N-1S-u0_Ext-3S-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7628, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S", + kinetics = ArrheniusBM(A=(257632,'m^3/(mol*s)'), n=0.632461, w0=(404.25,'kJ/mol'), E0=(29.4662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06782778055856421, var=0.2773173220846594, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S + Total Standard Deviation in ln(k): 1.2261336326242662"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S +Total Standard Deviation in ln(k): 1.2261336326242662""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S +Total Standard Deviation in ln(k): 1.2261336326242662 +""", +) + +entry( + index = 7629, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0", + kinetics = ArrheniusBM(A=(314.479,'m^3/(mol*s)'), n=1.57737, w0=(405.6,'kJ/mol'), E0=(28.4443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.9244957822423396, var=20.568914754559025, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0 + Total Standard Deviation in ln(k): 16.44004742328055"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0 +Total Standard Deviation in ln(k): 16.44004742328055""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0 +Total Standard Deviation in ln(k): 16.44004742328055 +""", +) + +entry( + index = 7630, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O", + kinetics = ArrheniusBM(A=(6.88976e+11,'m^3/(mol*s)'), n=-1.2669, w0=(411,'kJ/mol'), E0=(73.7689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08781196358825545, var=6.479652146365594, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O + Total Standard Deviation in ln(k): 5.323718462915714"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O +Total Standard Deviation in ln(k): 5.323718462915714""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O +Total Standard Deviation in ln(k): 5.323718462915714 +""", +) + +entry( + index = 7631, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(5.47995,'m^3/(mol*s)'), n=1.86293, w0=(411,'kJ/mol'), E0=(48.3679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020378269172021672, var=5.1470264127668095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R + Total Standard Deviation in ln(k): 4.59935595818205"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 4.59935595818205""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R +Total Standard Deviation in ln(k): 4.59935595818205 +""", +) + +entry( + index = 7632, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(4.01558e-10,'m^3/(mol*s)'), n=4.88266, w0=(411,'kJ/mol'), E0=(34.9787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_3BrClHINO->O_Ext-3O-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7633, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_N-3BrClHINO->O", + kinetics = ArrheniusBM(A=(17.4743,'m^3/(mol*s)'), n=1.94023, w0=(397.5,'kJ/mol'), E0=(23.5867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1509197137092662, var=2.6414779224200595, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_N-3BrClHINO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_N-3BrClHINO->O + Total Standard Deviation in ln(k): 6.149978650932758"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_N-3BrClHINO->O +Total Standard Deviation in ln(k): 6.149978650932758""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_1S-u0_N-3BrClHINO->O +Total Standard Deviation in ln(k): 6.149978650932758 +""", +) + +entry( + index = 7634, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_N-1S-u0", + kinetics = ArrheniusBM(A=(4.76397e+07,'m^3/(mol*s)'), n=-0.129376, w0=(397.5,'kJ/mol'), E0=(27.6784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_N-1S-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_N-1S-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_N-1S-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_1BrCClHNS->S_N-3BrClHINOS->S_N-1S-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7635, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S", + kinetics = ArrheniusBM(A=(7.81788e-07,'m^3/(mol*s)'), n=3.82618, w0=(412.427,'kJ/mol'), E0=(20.0862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3683666411583683, var=14.379929602387747, Tref=1000.0, N=172, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S',), comment="""BM rule fitted to 172 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S + Total Standard Deviation in ln(k): 8.527675679586356"""), + rank = 11, + shortDesc = """BM rule fitted to 172 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S +Total Standard Deviation in ln(k): 8.527675679586356""", + longDesc = +""" +BM rule fitted to 172 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S +Total Standard Deviation in ln(k): 8.527675679586356 +""", +) + +entry( + index = 7636, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br", + kinetics = ArrheniusBM(A=(491.435,'m^3/(mol*s)'), n=1.52185, w0=(408.571,'kJ/mol'), E0=(27.9881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3128305453212009, var=5.061324040857416, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br + Total Standard Deviation in ln(k): 5.296136403091153"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br +Total Standard Deviation in ln(k): 5.296136403091153""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br +Total Standard Deviation in ln(k): 5.296136403091153 +""", +) + +entry( + index = 7637, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(519.409,'m^3/(mol*s)'), n=1.4748, w0=(408.25,'kJ/mol'), E0=(31.3702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.862193449388698, var=21.815231122156206, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1 + Total Standard Deviation in ln(k): 14.042349636711124"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 14.042349636711124""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 14.042349636711124 +""", +) + +entry( + index = 7638, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O", + kinetics = ArrheniusBM(A=(3.45003e+10,'m^3/(mol*s)'), n=-1.10738, w0=(410.5,'kJ/mol'), E0=(61.0812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.152198739014358, var=1.9273473489123625, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O + Total Standard Deviation in ln(k): 3.1655612708772733"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O +Total Standard Deviation in ln(k): 3.1655612708772733""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O +Total Standard Deviation in ln(k): 3.1655612708772733 +""", +) + +entry( + index = 7639, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(7.53705e+08,'m^3/(mol*s)'), n=-0.626519, w0=(410.5,'kJ/mol'), E0=(58.1605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7028613183757733, var=7.523444885837094, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R + Total Standard Deviation in ln(k): 7.264750764952492"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 7.264750764952492""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 7.264750764952492 +""", +) + +entry( + index = 7640, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0", + kinetics = ArrheniusBM(A=(8.17133e-05,'m^3/(mol*s)'), n=3.0212, w0=(410.5,'kJ/mol'), E0=(18.1415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5742560210017329, var=4.621242740147186, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 + Total Standard Deviation in ln(k): 5.752448544165228"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 5.752448544165228""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 5.752448544165228 +""", +) + +entry( + index = 7641, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O", + kinetics = ArrheniusBM(A=(0.00042,'m^3/(mol*s)'), n=2.93, w0=(410.5,'kJ/mol'), E0=(31.1248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7642, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O", + kinetics = ArrheniusBM(A=(0.00487522,'m^3/(mol*s)'), n=2.45619, w0=(410.5,'kJ/mol'), E0=(9.61086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0026151047089884726, var=10.969719298053468, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O + Total Standard Deviation in ln(k): 6.646366773111021"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O +Total Standard Deviation in ln(k): 6.646366773111021""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O +Total Standard Deviation in ln(k): 6.646366773111021 +""", +) + +entry( + index = 7643, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4BrC->Br", + kinetics = ArrheniusBM(A=(1.6e+06,'m^3/(mol*s)'), n=4.59894e-08, w0=(410.5,'kJ/mol'), E0=(34.1847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4BrC->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4BrC->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7644, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4BrC->Br", + kinetics = ArrheniusBM(A=(0.485,'m^3/(mol*s)'), n=1.9, w0=(410.5,'kJ/mol'), E0=(38.5099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4BrC->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4BrC->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4BrC->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7645, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(4883.92,'m^3/(mol*s)'), n=1.06077, w0=(410.5,'kJ/mol'), E0=(44.6892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7646, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_N-3BrClHINOS->O", + kinetics = ArrheniusBM(A=(387.177,'m^3/(mol*s)'), n=1.65053, w0=(397,'kJ/mol'), E0=(29.7649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_N-3BrClHINOS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_N-3BrClHINOS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_3BrClHINOS-u1_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7647, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_N-3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(512.65,'m^3/(mol*s)'), n=1.57315, w0=(410.5,'kJ/mol'), E0=(23.4958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_N-3BrClHINOS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_N-3BrClHINOS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_1BrCClHN->Br_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7648, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br", + kinetics = ArrheniusBM(A=(7.76966e-07,'m^3/(mol*s)'), n=3.82695, w0=(412.591,'kJ/mol'), E0=(20.0862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3678383706275687, var=14.39314524640906, Tref=1000.0, N=165, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br',), comment="""BM rule fitted to 165 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br + Total Standard Deviation in ln(k): 8.529840872986972"""), + rank = 11, + shortDesc = """BM rule fitted to 165 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br +Total Standard Deviation in ln(k): 8.529840872986972""", + longDesc = +""" +BM rule fitted to 165 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br +Total Standard Deviation in ln(k): 8.529840872986972 +""", +) + +entry( + index = 7649, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2", + kinetics = ArrheniusBM(A=(106965,'m^3/(mol*s)'), n=0.666494, w0=(411.917,'kJ/mol'), E0=(83.9421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.3963647057729642, var=226.41182601501467, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2 + Total Standard Deviation in ln(k): 38.69880285944398"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2 +Total Standard Deviation in ln(k): 38.69880285944398""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2 +Total Standard Deviation in ln(k): 38.69880285944398 +""", +) + +entry( + index = 7650, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_3BrClHINOS->N", + kinetics = ArrheniusBM(A=(0.92,'m^3/(mol*s)'), n=1.94, w0=(386,'kJ/mol'), E0=(153.492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_3BrClHINOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_3BrClHINOS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_3BrClHINOS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_3BrClHINOS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7651, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N", + kinetics = ArrheniusBM(A=(5.10061e+08,'m^3/(mol*s)'), n=-0.370066, w0=(417.1,'kJ/mol'), E0=(85.6987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.737695531387494, var=239.50399133926382, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N + Total Standard Deviation in ln(k): 40.416307453473244"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N +Total Standard Deviation in ln(k): 40.416307453473244""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N +Total Standard Deviation in ln(k): 40.416307453473244 +""", +) + +entry( + index = 7652, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1", + kinetics = ArrheniusBM(A=(0.188642,'m^3/(mol*s)'), n=2.34139, w0=(413.5,'kJ/mol'), E0=(25.2169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.147440192271776, var=163.71039083946548, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1 + Total Standard Deviation in ln(k): 38.58372410863088"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1 +Total Standard Deviation in ln(k): 38.58372410863088""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1 +Total Standard Deviation in ln(k): 38.58372410863088 +""", +) + +entry( + index = 7653, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_3BrClHIOS->O", + kinetics = ArrheniusBM(A=(8.15565,'m^3/(mol*s)'), n=1.76154, w0=(422.5,'kJ/mol'), E0=(39.2177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_3BrClHIOS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_3BrClHIOS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_3BrClHIOS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_3BrClHIOS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7654, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_N-3BrClHIOS->O", + kinetics = ArrheniusBM(A=(309723,'m^3/(mol*s)'), n=0.575941, w0=(409,'kJ/mol'), E0=(54.381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-10.55630864157035, var=426.11507105977057, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_N-3BrClHIOS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_N-3BrClHIOS->O + Total Standard Deviation in ln(k): 67.90624235724432"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_N-3BrClHIOS->O +Total Standard Deviation in ln(k): 67.90624235724432""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_3BrClHIOS-u1_N-3BrClHIOS->O +Total Standard Deviation in ln(k): 67.90624235724432 +""", +) + +entry( + index = 7655, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_N-3BrClHIOS-u1", + kinetics = ArrheniusBM(A=(2167.27,'m^3/(mol*s)'), n=1.13163, w0=(422.5,'kJ/mol'), E0=(147.14,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07172587524458154, var=1538.9307182990972, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_N-3BrClHIOS-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_N-3BrClHIOS-u1 + Total Standard Deviation in ln(k): 78.82438402956248"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_N-3BrClHIOS-u1 +Total Standard Deviation in ln(k): 78.82438402956248""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_1CCCClClClHHHNNN-u2_N-3BrClHINOS->N_N-3BrClHIOS-u1 +Total Standard Deviation in ln(k): 78.82438402956248 +""", +) + +entry( + index = 7656, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2", + kinetics = ArrheniusBM(A=(1.83581e-06,'m^3/(mol*s)'), n=3.7211, w0=(412.616,'kJ/mol'), E0=(21.0002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35613571138070715, var=10.385656145312247, Tref=1000.0, N=159, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2',), comment="""BM rule fitted to 159 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2 + Total Standard Deviation in ln(k): 7.355429800296792"""), + rank = 11, + shortDesc = """BM rule fitted to 159 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2 +Total Standard Deviation in ln(k): 7.355429800296792""", + longDesc = +""" +BM rule fitted to 159 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2 +Total Standard Deviation in ln(k): 7.355429800296792 +""", +) + +entry( + index = 7657, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl", + kinetics = ArrheniusBM(A=(0.0188898,'m^3/(mol*s)'), n=2.65797, w0=(442,'kJ/mol'), E0=(5.48478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08070377567202325, var=6.192880944682245, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl + Total Standard Deviation in ln(k): 5.1916567189900755"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl +Total Standard Deviation in ln(k): 5.1916567189900755""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl +Total Standard Deviation in ln(k): 5.1916567189900755 +""", +) + +entry( + index = 7658, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(2.46448,'m^3/(mol*s)'), n=1.98026, w0=(441.812,'kJ/mol'), E0=(12.1369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03658912851062793, var=9.786951926593627, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1 + Total Standard Deviation in ln(k): 6.363566643825263"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 6.363566643825263""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1 +Total Standard Deviation in ln(k): 6.363566643825263 +""", +) + +entry( + index = 7659, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O", + kinetics = ArrheniusBM(A=(42235.7,'m^3/(mol*s)'), n=0.746454, w0=(443.5,'kJ/mol'), E0=(35.0952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14076657430878253, var=1.914474610491689, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O + Total Standard Deviation in ln(k): 3.1275273408416537"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O +Total Standard Deviation in ln(k): 3.1275273408416537""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O +Total Standard Deviation in ln(k): 3.1275273408416537 +""", +) + +entry( + index = 7660, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R", + kinetics = ArrheniusBM(A=(25376.8,'m^3/(mol*s)'), n=0.73754, w0=(443.5,'kJ/mol'), E0=(33.7822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08395922518877412, var=1.6717253700554338, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R + Total Standard Deviation in ln(k): 2.802979439228136"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 2.802979439228136""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R +Total Standard Deviation in ln(k): 2.802979439228136 +""", +) + +entry( + index = 7661, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0", + kinetics = ArrheniusBM(A=(0.14653,'m^3/(mol*s)'), n=2.23709, w0=(443.5,'kJ/mol'), E0=(18.1022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6742740645361092, var=1.9781179474750823, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 + Total Standard Deviation in ln(k): 4.513727239577192"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 4.513727239577192""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 4.513727239577192 +""", +) + +entry( + index = 7662, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O", + kinetics = ArrheniusBM(A=(0.0219621,'m^3/(mol*s)'), n=2.5111, w0=(443.5,'kJ/mol'), E0=(19.0977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7663, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O", + kinetics = ArrheniusBM(A=(3.86626,'m^3/(mol*s)'), n=1.79732, w0=(443.5,'kJ/mol'), E0=(19.7283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.6360719538941448, var=6.450711761200232, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O + Total Standard Deviation in ln(k): 9.202410108769278"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O +Total Standard Deviation in ln(k): 9.202410108769278""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O +Total Standard Deviation in ln(k): 9.202410108769278 +""", +) + +entry( + index = 7664, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4CCl->C", + kinetics = ArrheniusBM(A=(7.80955e-05,'m^3/(mol*s)'), n=3.13311, w0=(443.5,'kJ/mol'), E0=(8.68221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_4CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7665, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4CCl->C", + kinetics = ArrheniusBM(A=(0.531401,'m^3/(mol*s)'), n=2.10121, w0=(443.5,'kJ/mol'), E0=(5.27743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11177806519189772, var=10.51805373529496, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4CCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4CCl->C + Total Standard Deviation in ln(k): 6.7825158087240975"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4CCl->C +Total Standard Deviation in ln(k): 6.7825158087240975""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_4R!H-u0_N-4R!H->O_N-4CCl->C +Total Standard Deviation in ln(k): 6.7825158087240975 +""", +) + +entry( + index = 7666, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(8.0115e+07,'m^3/(mol*s)'), n=-0.247132, w0=(443.5,'kJ/mol'), E0=(45.2079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13834151252503527, var=0.16731942670015323, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 1.1676225565081713"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 1.1676225565081713""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_3BrClHINOS->O_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 1.1676225565081713 +""", +) + +entry( + index = 7667, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_N-3BrClHINOS->O", + kinetics = ArrheniusBM(A=(2620.67,'m^3/(mol*s)'), n=1.182, w0=(430,'kJ/mol'), E0=(8.0398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_N-3BrClHINOS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_N-3BrClHINOS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_3BrClHINOS-u1_N-3BrClHINOS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7668, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_N-3BrClHINOS-u1", + kinetics = ArrheniusBM(A=(0.023859,'m^3/(mol*s)'), n=2.93866, w0=(443.5,'kJ/mol'), E0=(15.3304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_N-3BrClHINOS-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_N-3BrClHINOS-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_1CClHN->Cl_N-3BrClHINOS-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7669, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl", + kinetics = ArrheniusBM(A=(1.43466e-06,'m^3/(mol*s)'), n=3.75541, w0=(410.853,'kJ/mol'), E0=(21.0005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35803466214223645, var=10.385566888941968, Tref=1000.0, N=150, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl',), comment="""BM rule fitted to 150 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl + Total Standard Deviation in ln(k): 7.360173271402468"""), + rank = 11, + shortDesc = """BM rule fitted to 150 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl +Total Standard Deviation in ln(k): 7.360173271402468""", + longDesc = +""" +BM rule fitted to 150 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl +Total Standard Deviation in ln(k): 7.360173271402468 +""", +) + +entry( + index = 7670, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl", + kinetics = ArrheniusBM(A=(676.301,'m^3/(mol*s)'), n=1.5057, w0=(423,'kJ/mol'), E0=(6.70534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06269862098516044, var=2.857184112017791, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl + Total Standard Deviation in ln(k): 3.5461794485157956"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl +Total Standard Deviation in ln(k): 3.5461794485157956""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl +Total Standard Deviation in ln(k): 3.5461794485157956 +""", +) + +entry( + index = 7671, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0", + kinetics = ArrheniusBM(A=(15696.4,'m^3/(mol*s)'), n=1.12405, w0=(424.75,'kJ/mol'), E0=(10.5917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07164418764661377, var=3.072114722119331, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0 + Total Standard Deviation in ln(k): 3.6937997260064632"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0 +Total Standard Deviation in ln(k): 3.6937997260064632""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0 +Total Standard Deviation in ln(k): 3.6937997260064632 +""", +) + +entry( + index = 7672, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_1CHN->C", + kinetics = ArrheniusBM(A=(0.377794,'m^3/(mol*s)'), n=2.61187, w0=(419.5,'kJ/mol'), E0=(1.17036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_1CHN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_1CHN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_1CHN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_1CHN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7673, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_N-1CHN->C", + kinetics = ArrheniusBM(A=(1.80422e+06,'m^3/(mol*s)'), n=0.369161, w0=(430,'kJ/mol'), E0=(11.2579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_N-1CHN->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_N-1CHN->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_N-1CHN->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_1CHN-u0_N-1CHN->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7674, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_N-1CHN-u0", + kinetics = ArrheniusBM(A=(6.18693e+08,'m^3/(mol*s)'), n=-0.438316, w0=(419.5,'kJ/mol'), E0=(17.2266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_N-1CHN-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_N-1CHN-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_N-1CHN-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_3BrClHINOS->Cl_N-1CHN-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7675, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl", + kinetics = ArrheniusBM(A=(1.44526e-06,'m^3/(mol*s)'), n=3.75424, w0=(410.605,'kJ/mol'), E0=(21.0003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3586084631482574, var=10.37660630108635, Tref=1000.0, N=147, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl',), comment="""BM rule fitted to 147 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl + Total Standard Deviation in ln(k): 7.358827307736357"""), + rank = 11, + shortDesc = """BM rule fitted to 147 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl +Total Standard Deviation in ln(k): 7.358827307736357""", + longDesc = +""" +BM rule fitted to 147 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl +Total Standard Deviation in ln(k): 7.358827307736357 +""", +) + +entry( + index = 7676, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I", + kinetics = ArrheniusBM(A=(7.99895,'m^3/(mol*s)'), n=2.72998, w0=(358.25,'kJ/mol'), E0=(39.7602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.836128975263899, var=1.4631529707603725, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I + Total Standard Deviation in ln(k): 9.550896994105859"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I +Total Standard Deviation in ln(k): 9.550896994105859""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I +Total Standard Deviation in ln(k): 9.550896994105859 +""", +) + +entry( + index = 7677, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_1CHN->C", + kinetics = ArrheniusBM(A=(0.0932405,'m^3/(mol*s)'), n=3.42429, w0=(353,'kJ/mol'), E0=(-24.4982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.0550024819534083, var=2.132495390094796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_1CHN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_1CHN->C + Total Standard Deviation in ln(k): 10.603413514355369"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_1CHN->C +Total Standard Deviation in ln(k): 10.603413514355369""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_1CHN->C +Total Standard Deviation in ln(k): 10.603413514355369 +""", +) + +entry( + index = 7678, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_N-1CHN->C", + kinetics = ArrheniusBM(A=(45.3069,'m^3/(mol*s)'), n=2.37386, w0=(363.5,'kJ/mol'), E0=(-16.5222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.701994926118812, var=0.15410406082639438, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_N-1CHN->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_N-1CHN->C + Total Standard Deviation in ln(k): 7.575912582993249"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_N-1CHN->C +Total Standard Deviation in ln(k): 7.575912582993249""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_3BrHINOS->I_N-1CHN->C +Total Standard Deviation in ln(k): 7.575912582993249 +""", +) + +entry( + index = 7679, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I", + kinetics = ArrheniusBM(A=(1.57473e-06,'m^3/(mol*s)'), n=3.73178, w0=(412.07,'kJ/mol'), E0=(20.2885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3447145850963994, var=9.803940620537885, Tref=1000.0, N=143, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I',), comment="""BM rule fitted to 143 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I + Total Standard Deviation in ln(k): 7.143192160349297"""), + rank = 11, + shortDesc = """BM rule fitted to 143 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I +Total Standard Deviation in ln(k): 7.143192160349297""", + longDesc = +""" +BM rule fitted to 143 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I +Total Standard Deviation in ln(k): 7.143192160349297 +""", +) + +entry( + index = 7680, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O", + kinetics = ArrheniusBM(A=(112.668,'m^3/(mol*s)'), n=1.42261, w0=(436.7,'kJ/mol'), E0=(53.405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5770393536726214, var=21.9002291393766, Tref=1000.0, N=50, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O',), comment="""BM rule fitted to 50 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O + Total Standard Deviation in ln(k): 10.831542815663958"""), + rank = 11, + shortDesc = """BM rule fitted to 50 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O +Total Standard Deviation in ln(k): 10.831542815663958""", + longDesc = +""" +BM rule fitted to 50 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O +Total Standard Deviation in ln(k): 10.831542815663958 +""", +) + +entry( + index = 7681, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C", + kinetics = ArrheniusBM(A=(368735,'m^3/(mol*s)'), n=0.528856, w0=(435,'kJ/mol'), E0=(61.824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.164140954029309, var=17.946930448747224, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C + Total Standard Deviation in ln(k): 11.417800394574416"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C +Total Standard Deviation in ln(k): 11.417800394574416""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C +Total Standard Deviation in ln(k): 11.417800394574416 +""", +) + +entry( + index = 7682, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1", + kinetics = ArrheniusBM(A=(8.5421e+09,'m^3/(mol*s)'), n=-0.7442, w0=(435,'kJ/mol'), E0=(81.2334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3425140574950725, var=16.493589889789487, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1 + Total Standard Deviation in ln(k): 11.514841328341234"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1 +Total Standard Deviation in ln(k): 11.514841328341234""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1 +Total Standard Deviation in ln(k): 11.514841328341234 +""", +) + +entry( + index = 7683, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R", + kinetics = ArrheniusBM(A=(3.89402e+12,'m^3/(mol*s)'), n=-1.47977, w0=(435,'kJ/mol'), E0=(95.3846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.85287077802354, var=21.943155593562533, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R + Total Standard Deviation in ln(k): 14.046339399169245"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 14.046339399169245""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R +Total Standard Deviation in ln(k): 14.046339399169245 +""", +) + +entry( + index = 7684, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0", + kinetics = ArrheniusBM(A=(1.23303e-12,'m^3/(mol*s)'), n=5.47589, w0=(435,'kJ/mol'), E0=(4.79131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3100725469828551, var=7.7821438296178105, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0 + Total Standard Deviation in ln(k): 8.88414759074876"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 8.88414759074876""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 8.88414759074876 +""", +) + +entry( + index = 7685, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N", + kinetics = ArrheniusBM(A=(3.04593e-05,'m^3/(mol*s)'), n=3.44286, w0=(435,'kJ/mol'), E0=(110.883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5328612317678708, var=2.6021704159374797, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N + Total Standard Deviation in ln(k): 4.57273443835755"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 4.57273443835755""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 4.57273443835755 +""", +) + +entry( + index = 7686, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(0.000917908,'m^3/(mol*s)'), n=3.01977, w0=(435,'kJ/mol'), E0=(109.865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7687, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N", + kinetics = ArrheniusBM(A=(1.001e-09,'m^3/(mol*s)'), n=4.62988, w0=(435,'kJ/mol'), E0=(9.09055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7942854043121225, var=0.11647532128522624, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N + Total Standard Deviation in ln(k): 2.679877599883571"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 2.679877599883571""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 2.679877599883571 +""", +) + +entry( + index = 7688, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O", + kinetics = ArrheniusBM(A=(4.51998e-06,'m^3/(mol*s)'), n=3.56765, w0=(435,'kJ/mol'), E0=(35.7769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5253724892806033, var=0.007921456166778595, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O + Total Standard Deviation in ln(k): 1.4984579395203002"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O +Total Standard Deviation in ln(k): 1.4984579395203002""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O +Total Standard Deviation in ln(k): 1.4984579395203002 +""", +) + +entry( + index = 7689, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R", + kinetics = ArrheniusBM(A=(1.1125e-09,'m^3/(mol*s)'), n=4.691, w0=(435,'kJ/mol'), E0=(29.6073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7690, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O", + kinetics = ArrheniusBM(A=(8.59384e-14,'m^3/(mol*s)'), n=5.95127, w0=(435,'kJ/mol'), E0=(8.34017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.9407730824960592, var=7.473074077554317, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O + Total Standard Deviation in ln(k): 10.356643300617147"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O +Total Standard Deviation in ln(k): 10.356643300617147""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O +Total Standard Deviation in ln(k): 10.356643300617147 +""", +) + +entry( + index = 7691, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C", + kinetics = ArrheniusBM(A=(7.00948e-14,'m^3/(mol*s)'), n=5.9647, w0=(435,'kJ/mol'), E0=(8.37389,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.368945936808073, var=2.629730078105155, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C + Total Standard Deviation in ln(k): 6.690529769136807"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C +Total Standard Deviation in ln(k): 6.690529769136807""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C +Total Standard Deviation in ln(k): 6.690529769136807 +""", +) + +entry( + index = 7692, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0", + kinetics = ArrheniusBM(A=(6.96261e-14,'m^3/(mol*s)'), n=5.96595, w0=(435,'kJ/mol'), E0=(8.29731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4005569807331073, var=2.6816408229586974, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0 + Total Standard Deviation in ln(k): 6.8018846646826105"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0 +Total Standard Deviation in ln(k): 6.8018846646826105""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0 +Total Standard Deviation in ln(k): 6.8018846646826105 +""", +) + +entry( + index = 7693, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.44481e-13,'m^3/(mol*s)'), n=5.86059, w0=(435,'kJ/mol'), E0=(8.56645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.0660968934525745, var=15.298650364149504, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R + Total Standard Deviation in ln(k): 13.032416602086272"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R +Total Standard Deviation in ln(k): 13.032416602086272""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R +Total Standard Deviation in ln(k): 13.032416602086272 +""", +) + +entry( + index = 7694, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.00244425,'m^3/(mol*s)'), n=3.16516, w0=(435,'kJ/mol'), E0=(44.5665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4994371701430436, var=16.49703270072689, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 11.90997019468134"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.90997019468134""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.90997019468134 +""", +) + +entry( + index = 7695, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.14863e-09,'m^3/(mol*s)'), n=4.6523, w0=(435,'kJ/mol'), E0=(4.67168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_Sp-5R!H-4C_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7696, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.0186181,'m^3/(mol*s)'), n=2.6643, w0=(435,'kJ/mol'), E0=(58.7602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_1C-u0_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7697, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_N-1C-u0", + kinetics = ArrheniusBM(A=(0.00356551,'m^3/(mol*s)'), n=2.51633, w0=(435,'kJ/mol'), E0=(41.016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_N-1C-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_N-1C-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_N-1C-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_N-1C-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7698, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C", + kinetics = ArrheniusBM(A=(9.79061e-05,'m^3/(mol*s)'), n=3.8054, w0=(435,'kJ/mol'), E0=(28.1069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3146163251596408, var=1.6540092358931902, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C + Total Standard Deviation in ln(k): 3.3687487893283845"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C +Total Standard Deviation in ln(k): 3.3687487893283845""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C +Total Standard Deviation in ln(k): 3.3687487893283845 +""", +) + +entry( + index = 7699, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br", + kinetics = ArrheniusBM(A=(1.10771e-07,'m^3/(mol*s)'), n=4.56355, w0=(435,'kJ/mol'), E0=(18.355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7700, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br", + kinetics = ArrheniusBM(A=(2.13555e-07,'m^3/(mol*s)'), n=4.65392, w0=(435,'kJ/mol'), E0=(22.2657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7701, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(156111,'m^3/(mol*s)'), n=0.799791, w0=(435,'kJ/mol'), E0=(-9.93044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.1250800424945346, var=6.652793189770096, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_N-4R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 10.510212103241782"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 10.510212103241782""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_3O-u1_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 10.510212103241782 +""", +) + +entry( + index = 7702, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_N-3O-u1", + kinetics = ArrheniusBM(A=(0.11,'m^3/(mol*s)'), n=2.5, w0=(435,'kJ/mol'), E0=(22.4997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_N-3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_N-3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_1CHN->C_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7703, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C", + kinetics = ArrheniusBM(A=(1.45334e-11,'m^3/(mol*s)'), n=5.01597, w0=(437.833,'kJ/mol'), E0=(9.8512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3876376818165376, var=22.733431322390693, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C + Total Standard Deviation in ln(k): 10.532458321459169"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C +Total Standard Deviation in ln(k): 10.532458321459169""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C +Total Standard Deviation in ln(k): 10.532458321459169 +""", +) + +entry( + index = 7704, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0", + kinetics = ArrheniusBM(A=(9.84288e-07,'m^3/(mol*s)'), n=3.57705, w0=(438.929,'kJ/mol'), E0=(26.1614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6226304855316896, var=9.917894978316436, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0 + Total Standard Deviation in ln(k): 7.877848155808094"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0 +Total Standard Deviation in ln(k): 7.877848155808094""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0 +Total Standard Deviation in ln(k): 7.877848155808094 +""", +) + +entry( + index = 7705, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1", + kinetics = ArrheniusBM(A=(1.2015e-09,'m^3/(mol*s)'), n=4.39774, w0=(439.98,'kJ/mol'), E0=(8.53004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3577589647316995, var=9.289193376416932, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1 + Total Standard Deviation in ln(k): 7.008959135671487"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1 +Total Standard Deviation in ln(k): 7.008959135671487""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1 +Total Standard Deviation in ln(k): 7.008959135671487 +""", +) + +entry( + index = 7706, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N", + kinetics = ArrheniusBM(A=(2.40961e+13,'m^3/(mol*s)'), n=-1.75033, w0=(422.5,'kJ/mol'), E0=(107.076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3905851030466504, var=36.11838135328299, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N + Total Standard Deviation in ln(k): 13.029540775829778"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N +Total Standard Deviation in ln(k): 13.029540775829778""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N +Total Standard Deviation in ln(k): 13.029540775829778 +""", +) + +entry( + index = 7707, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(0.000474776,'m^3/(mol*s)'), n=3.03326, w0=(422.5,'kJ/mol'), E0=(38.2809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.306908586349618, var=0.2442310859873728, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R + Total Standard Deviation in ln(k): 1.76186199640646"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R +Total Standard Deviation in ln(k): 1.76186199640646""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R +Total Standard Deviation in ln(k): 1.76186199640646 +""", +) + +entry( + index = 7708, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.135662,'m^3/(mol*s)'), n=2.33348, w0=(422.5,'kJ/mol'), E0=(46.5392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3820841309718138, var=0.24910141154334345, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.9605748645624868"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.9605748645624868""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.9605748645624868 +""", +) + +entry( + index = 7709, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_4R!H->N", + kinetics = ArrheniusBM(A=(0.00325782,'m^3/(mol*s)'), n=2.78874, w0=(422.5,'kJ/mol'), E0=(38.0483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7710, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_N-4R!H->N", + kinetics = ArrheniusBM(A=(0.0652732,'m^3/(mol*s)'), n=2.43327, w0=(422.5,'kJ/mol'), E0=(47.8262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_N-4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_N-4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_1HN->N_Ext-3O-R_Ext-4R!H-R_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7711, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N", + kinetics = ArrheniusBM(A=(1.36646e-08,'m^3/(mol*s)'), n=4.0501, w0=(445.5,'kJ/mol'), E0=(8.5649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11463535972023187, var=2.7435082533893156, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N + Total Standard Deviation in ln(k): 3.6085793127842654"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N +Total Standard Deviation in ln(k): 3.6085793127842654""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N +Total Standard Deviation in ln(k): 3.6085793127842654 +""", +) + +entry( + index = 7712, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R", + kinetics = ArrheniusBM(A=(1.51532e-08,'m^3/(mol*s)'), n=4.03697, w0=(445.5,'kJ/mol'), E0=(8.66145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10597846527306136, var=2.7354794714738024, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R + Total Standard Deviation in ln(k): 3.5819660233356934"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R +Total Standard Deviation in ln(k): 3.5819660233356934""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R +Total Standard Deviation in ln(k): 3.5819660233356934 +""", +) + +entry( + index = 7713, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0", + kinetics = ArrheniusBM(A=(1.50664e-08,'m^3/(mol*s)'), n=4.03766, w0=(445.5,'kJ/mol'), E0=(8.65372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10672363348186145, var=2.730616639645954, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0 + Total Standard Deviation in ln(k): 3.5808898628312575"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 3.5808898628312575""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0 +Total Standard Deviation in ln(k): 3.5808898628312575 +""", +) + +entry( + index = 7714, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N", + kinetics = ArrheniusBM(A=(102.236,'m^3/(mol*s)'), n=1.41091, w0=(445.5,'kJ/mol'), E0=(65.5492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2294462844992989, var=0.3952221417012045, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N + Total Standard Deviation in ln(k): 1.8368089011664264"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 1.8368089011664264""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 1.8368089011664264 +""", +) + +entry( + index = 7715, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R", + kinetics = ArrheniusBM(A=(5495.34,'m^3/(mol*s)'), n=0.935794, w0=(445.5,'kJ/mol'), E0=(70.4839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12568393446737589, var=0.8216440394466618, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R + Total Standard Deviation in ln(k): 2.1329725276028415"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 2.1329725276028415""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R +Total Standard Deviation in ln(k): 2.1329725276028415 +""", +) + +entry( + index = 7716, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R", + kinetics = ArrheniusBM(A=(3151.05,'m^3/(mol*s)'), n=0.952835, w0=(445.5,'kJ/mol'), E0=(74.9669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_Ext-4N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7717, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_5R!H->C", + kinetics = ArrheniusBM(A=(6.74867,'m^3/(mol*s)'), n=1.75407, w0=(445.5,'kJ/mol'), E0=(61.36,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7718, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(87.4131,'m^3/(mol*s)'), n=1.64458, w0=(445.5,'kJ/mol'), E0=(70.1784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_4R!H->N_Ext-4N-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7719, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N", + kinetics = ArrheniusBM(A=(4.68532e-09,'m^3/(mol*s)'), n=4.16176, w0=(445.5,'kJ/mol'), E0=(5.89921,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12093109445492205, var=2.8713430087416625, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N + Total Standard Deviation in ln(k): 3.700878106956939"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 3.700878106956939""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 3.700878106956939 +""", +) + +entry( + index = 7720, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O", + kinetics = ArrheniusBM(A=(35396,'m^3/(mol*s)'), n=0.0201369, w0=(445.5,'kJ/mol'), E0=(35.795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.138434622774082, var=6.2232496029663995, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O + Total Standard Deviation in ln(k): 7.8614891999917305"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O +Total Standard Deviation in ln(k): 7.8614891999917305""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O +Total Standard Deviation in ln(k): 7.8614891999917305 +""", +) + +entry( + index = 7721, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.56431e-08,'m^3/(mol*s)'), n=4.25556, w0=(445.5,'kJ/mol'), E0=(26.4166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_4BrCClO->O_Ext-4O-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7722, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O", + kinetics = ArrheniusBM(A=(2.14761e-08,'m^3/(mol*s)'), n=4.17998, w0=(445.5,'kJ/mol'), E0=(19.362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05822269550347197, var=3.9962504800985137, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O + Total Standard Deviation in ln(k): 4.15387869534047"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O +Total Standard Deviation in ln(k): 4.15387869534047""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O +Total Standard Deviation in ln(k): 4.15387869534047 +""", +) + +entry( + index = 7723, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C", + kinetics = ArrheniusBM(A=(1.9591e-08,'m^3/(mol*s)'), n=4.19091, w0=(445.5,'kJ/mol'), E0=(19.263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06175212838046364, var=4.018638685031432, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C + Total Standard Deviation in ln(k): 4.173956805975329"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C +Total Standard Deviation in ln(k): 4.173956805975329""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C +Total Standard Deviation in ln(k): 4.173956805975329 +""", +) + +entry( + index = 7724, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.62903e-06,'m^3/(mol*s)'), n=3.56712, w0=(445.5,'kJ/mol'), E0=(26.0875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8344650995530419, var=1.0893772435279907, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R + Total Standard Deviation in ln(k): 4.189052856329551"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.189052856329551""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R +Total Standard Deviation in ln(k): 4.189052856329551 +""", +) + +entry( + index = 7725, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(0.0712488,'m^3/(mol*s)'), n=2.22576, w0=(445.5,'kJ/mol'), E0=(36.4319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_Sp-5R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_Sp-5R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7726, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-4C", + kinetics = ArrheniusBM(A=(162.258,'m^3/(mol*s)'), n=1.3486, w0=(445.5,'kJ/mol'), E0=(60.0023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_4BrCCl->C_Ext-4C-R_N-Sp-5R!H-4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7727, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C", + kinetics = ArrheniusBM(A=(0.000396813,'m^3/(mol*s)'), n=3.17588, w0=(445.5,'kJ/mol'), E0=(28.2301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01826064978434262, var=0.013881751529357486, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C + Total Standard Deviation in ln(k): 0.2820806105378848"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C +Total Standard Deviation in ln(k): 0.2820806105378848""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C +Total Standard Deviation in ln(k): 0.2820806105378848 +""", +) + +entry( + index = 7728, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br", + kinetics = ArrheniusBM(A=(0.000886111,'m^3/(mol*s)'), n=3.08033, w0=(445.5,'kJ/mol'), E0=(29.1017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7729, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br", + kinetics = ArrheniusBM(A=(0.000454126,'m^3/(mol*s)'), n=3.15467, w0=(445.5,'kJ/mol'), E0=(28.4179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_4R!H-u0_N-4R!H->N_N-4BrCClO->O_N-4BrCCl->C_N-4BrCl->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7730, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(7.24999e+07,'m^3/(mol*s)'), n=9.51157e-08, w0=(445.5,'kJ/mol'), E0=(76.2886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_3O-u1_N-1HN->N_Ext-3O-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7731, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1", + kinetics = ArrheniusBM(A=(9.97808,'m^3/(mol*s)'), n=1.93088, w0=(430.167,'kJ/mol'), E0=(106.651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08829358483442169, var=0.07720218582647816, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1 + Total Standard Deviation in ln(k): 0.7788644590347564"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1 +Total Standard Deviation in ln(k): 0.7788644590347564""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1 +Total Standard Deviation in ln(k): 0.7788644590347564 +""", +) + +entry( + index = 7732, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_1HN->N", + kinetics = ArrheniusBM(A=(9.96034,'m^3/(mol*s)'), n=1.9312, w0=(422.5,'kJ/mol'), E0=(106.67,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17980729093009962, var=0.04165858858876688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_1HN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_1HN->N + Total Standard Deviation in ln(k): 0.8609522770247197"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_1HN->N +Total Standard Deviation in ln(k): 0.8609522770247197""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_1HN->N +Total Standard Deviation in ln(k): 0.8609522770247197 +""", +) + +entry( + index = 7733, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_N-1HN->N", + kinetics = ArrheniusBM(A=(170,'m^3/(mol*s)'), n=1.5, w0=(445.5,'kJ/mol'), E0=(93.0695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_1HN-u0_N-3O-u1_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7734, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0", + kinetics = ArrheniusBM(A=(4.64841e-14,'m^3/(mol*s)'), n=5.85508, w0=(422.5,'kJ/mol'), E0=(1.66404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6923201740624034, var=327.8589879640432, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0 + Total Standard Deviation in ln(k): 40.55155183029998"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0 +Total Standard Deviation in ln(k): 40.55155183029998""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0 +Total Standard Deviation in ln(k): 40.55155183029998 +""", +) + +entry( + index = 7735, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_3O-u1", + kinetics = ArrheniusBM(A=(2.4,'m^3/(mol*s)'), n=2, w0=(422.5,'kJ/mol'), E0=(130.199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7736, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_N-3O-u1", + kinetics = ArrheniusBM(A=(7e+06,'m^3/(mol*s)'), n=-2.64857e-09, w0=(422.5,'kJ/mol'), E0=(9.73773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_N-3O-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_N-3O-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_3BrHNOS->O_N-1CHN->C_N-1HN-u0_N-3O-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7737, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O", + kinetics = ArrheniusBM(A=(0.000392788,'m^3/(mol*s)'), n=3.08081, w0=(398.828,'kJ/mol'), E0=(26.5598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21826832950766048, var=5.639746904170325, Tref=1000.0, N=93, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O',), comment="""BM rule fitted to 93 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O + Total Standard Deviation in ln(k): 5.309288082699936"""), + rank = 11, + shortDesc = """BM rule fitted to 93 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O +Total Standard Deviation in ln(k): 5.309288082699936""", + longDesc = +""" +BM rule fitted to 93 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O +Total Standard Deviation in ln(k): 5.309288082699936 +""", +) + +entry( + index = 7738, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C", + kinetics = ArrheniusBM(A=(1.52737e-05,'m^3/(mol*s)'), n=3.5313, w0=(397.076,'kJ/mol'), E0=(25.0647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47875537776548344, var=13.76756557674621, Tref=1000.0, N=33, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C',), comment="""BM rule fitted to 33 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C + Total Standard Deviation in ln(k): 8.641406366692491"""), + rank = 11, + shortDesc = """BM rule fitted to 33 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C +Total Standard Deviation in ln(k): 8.641406366692491""", + longDesc = +""" +BM rule fitted to 33 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C +Total Standard Deviation in ln(k): 8.641406366692491 +""", +) + +entry( + index = 7739, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_3BrHNS->H", + kinetics = ArrheniusBM(A=(0.00102083,'m^3/(mol*s)'), n=3.15661, w0=(421.5,'kJ/mol'), E0=(34.7936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.323116970286142, var=22.91767317937547, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_3BrHNS->H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_3BrHNS->H + Total Standard Deviation in ln(k): 17.946689410300074"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_3BrHNS->H +Total Standard Deviation in ln(k): 17.946689410300074""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_3BrHNS->H +Total Standard Deviation in ln(k): 17.946689410300074 +""", +) + +entry( + index = 7740, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H", + kinetics = ArrheniusBM(A=(6.23447e-05,'m^3/(mol*s)'), n=3.32546, w0=(393.707,'kJ/mol'), E0=(25.9817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4515728069184375, var=16.734537306816954, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H + Total Standard Deviation in ln(k): 9.335548997251648"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H +Total Standard Deviation in ln(k): 9.335548997251648""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H +Total Standard Deviation in ln(k): 9.335548997251648 +""", +) + +entry( + index = 7741, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1", + kinetics = ArrheniusBM(A=(4.71374e-09,'m^3/(mol*s)'), n=4.45692, w0=(393.596,'kJ/mol'), E0=(24.812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.045916844602196805, var=7.355736401844733, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1 + Total Standard Deviation in ln(k): 5.55250335361882"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1 +Total Standard Deviation in ln(k): 5.55250335361882""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1 +Total Standard Deviation in ln(k): 5.55250335361882 +""", +) + +entry( + index = 7742, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S", + kinetics = ArrheniusBM(A=(1.43073e-06,'m^3/(mol*s)'), n=3.85363, w0=(387,'kJ/mol'), E0=(4.40505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4611975632055744, var=21.69915148881591, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S + Total Standard Deviation in ln(k): 10.49731455748519"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S +Total Standard Deviation in ln(k): 10.49731455748519""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S +Total Standard Deviation in ln(k): 10.49731455748519 +""", +) + +entry( + index = 7743, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R", + kinetics = ArrheniusBM(A=(1.30446e-06,'m^3/(mol*s)'), n=3.86767, w0=(387,'kJ/mol'), E0=(4.41629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34745229069544503, var=27.757358949546646, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R + Total Standard Deviation in ln(k): 11.434993201775494"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R +Total Standard Deviation in ln(k): 11.434993201775494""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R +Total Standard Deviation in ln(k): 11.434993201775494 +""", +) + +entry( + index = 7744, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C", + kinetics = ArrheniusBM(A=(1.025e-06,'m^3/(mol*s)'), n=3.89023, w0=(387,'kJ/mol'), E0=(-3.78578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.71278738821216, var=31.236975121582756, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C + Total Standard Deviation in ln(k): 12.995397140027771"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C +Total Standard Deviation in ln(k): 12.995397140027771""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C +Total Standard Deviation in ln(k): 12.995397140027771 +""", +) + +entry( + index = 7745, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(8.83135e-07,'m^3/(mol*s)'), n=3.89981, w0=(387,'kJ/mol'), E0=(-4.73279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.282092084415884, var=38.391256240895686, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 15.64281136558559"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 15.64281136558559""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 15.64281136558559 +""", +) + +entry( + index = 7746, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(0.00490145,'m^3/(mol*s)'), n=2.87, w0=(387,'kJ/mol'), E0=(32.2551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.235289919460338, var=19.89258605756829, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C + Total Standard Deviation in ln(k): 14.557646385311813"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 14.557646385311813""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 14.557646385311813 +""", +) + +entry( + index = 7747, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C", + kinetics = ArrheniusBM(A=(0.000229422,'m^3/(mol*s)'), n=3.71783, w0=(387,'kJ/mol'), E0=(13.6626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7748, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.00128209,'m^3/(mol*s)'), n=3.02244, w0=(387,'kJ/mol'), E0=(30.5502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.679788441448177, var=14.706841502261058, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C + Total Standard Deviation in ln(k): 11.908632758478063"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.908632758478063""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.908632758478063 +""", +) + +entry( + index = 7749, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_5OS->O", + kinetics = ArrheniusBM(A=(5.15019e-07,'m^3/(mol*s)'), n=3.98834, w0=(387,'kJ/mol'), E0=(14.4675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_5OS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_5OS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_5OS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_5OS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7750, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_N-5OS->O", + kinetics = ArrheniusBM(A=(0.00134902,'m^3/(mol*s)'), n=3.23961, w0=(387,'kJ/mol'), E0=(-49.8278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_N-5OS->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_N-5OS->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_N-5OS->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H=4C_N-5R!H->C_N-5OS->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7751, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_4C-inRing", + kinetics = ArrheniusBM(A=(0.000565847,'m^3/(mol*s)'), n=3.49073, w0=(387,'kJ/mol'), E0=(13.515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7752, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(7.68064e-08,'m^3/(mol*s)'), n=2.37471, w0=(387,'kJ/mol'), E0=(0.514566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7753, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.00836836,'m^3/(mol*s)'), n=3.04731, w0=(387,'kJ/mol'), E0=(-3.41766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7754, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S", + kinetics = ArrheniusBM(A=(4.77427e-09,'m^3/(mol*s)'), n=4.45501, w0=(397.088,'kJ/mol'), E0=(24.9421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04679518850009093, var=7.3592383556055765, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S + Total Standard Deviation in ln(k): 5.556004362150067"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S +Total Standard Deviation in ln(k): 5.556004362150067""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S +Total Standard Deviation in ln(k): 5.556004362150067 +""", +) + +entry( + index = 7755, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0", + kinetics = ArrheniusBM(A=(5.87077e-09,'m^3/(mol*s)'), n=4.43848, w0=(397.7,'kJ/mol'), E0=(29.8098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03350598865704185, var=8.86981737636349, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0 + Total Standard Deviation in ln(k): 6.054735747037906"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0 +Total Standard Deviation in ln(k): 6.054735747037906""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0 +Total Standard Deviation in ln(k): 6.054735747037906 +""", +) + +entry( + index = 7756, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N", + kinetics = ArrheniusBM(A=(5.86986e-09,'m^3/(mol*s)'), n=4.43848, w0=(398.5,'kJ/mol'), E0=(29.8202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0345789562453619, var=8.877467782031635, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N + Total Standard Deviation in ln(k): 6.0600059534781465"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N +Total Standard Deviation in ln(k): 6.0600059534781465""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N +Total Standard Deviation in ln(k): 6.0600059534781465 +""", +) + +entry( + index = 7757, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R", + kinetics = ArrheniusBM(A=(5.77982e-09,'m^3/(mol*s)'), n=4.43991, w0=(398.5,'kJ/mol'), E0=(29.5278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03487162703291574, var=9.032596705041742, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R + Total Standard Deviation in ln(k): 6.112703834676629"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R +Total Standard Deviation in ln(k): 6.112703834676629""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R +Total Standard Deviation in ln(k): 6.112703834676629 +""", +) + +entry( + index = 7758, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(4.71358e-14,'m^3/(mol*s)'), n=5.8559, w0=(398.5,'kJ/mol'), E0=(-15.1174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.832418333160834, var=6.605916086216568, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 7.244068783639747"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.244068783639747""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.244068783639747 +""", +) + +entry( + index = 7759, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N", + kinetics = ArrheniusBM(A=(0.173579,'m^3/(mol*s)'), n=2.19966, w0=(398.5,'kJ/mol'), E0=(54.5553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2934082926526684, var=0.6803518842403318, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N + Total Standard Deviation in ln(k): 2.3907813378356675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N +Total Standard Deviation in ln(k): 2.3907813378356675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N +Total Standard Deviation in ln(k): 2.3907813378356675 +""", +) + +entry( + index = 7760, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_4R!H->N", + kinetics = ArrheniusBM(A=(0.187802,'m^3/(mol*s)'), n=2.19874, w0=(398.5,'kJ/mol'), E0=(55.3444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7761, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_N-4R!H->N", + kinetics = ArrheniusBM(A=(16557,'m^3/(mol*s)'), n=0.551025, w0=(398.5,'kJ/mol'), E0=(50.6532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_N-4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_N-4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_Sp-4R!H-3N_N-4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7762, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_N-Sp-4R!H-3N", + kinetics = ArrheniusBM(A=(3.541e+06,'m^3/(mol*s)'), n=0.190271, w0=(398.5,'kJ/mol'), E0=(44.4337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1791065610529323, var=0.3870230161617704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_N-Sp-4R!H-3N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_N-Sp-4R!H-3N + Total Standard Deviation in ln(k): 1.6971857108698953"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_N-Sp-4R!H-3N +Total Standard Deviation in ln(k): 1.6971857108698953""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Ext-4R!H-R_N-Sp-4R!H-3N +Total Standard Deviation in ln(k): 1.6971857108698953 +""", +) + +entry( + index = 7763, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N", + kinetics = ArrheniusBM(A=(2.63531e+07,'m^3/(mol*s)'), n=-0.0688542, w0=(398.5,'kJ/mol'), E0=(98.0579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12039084105096347, var=1.5924934144941254, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N + Total Standard Deviation in ln(k): 2.8323456098169686"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N +Total Standard Deviation in ln(k): 2.8323456098169686""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N +Total Standard Deviation in ln(k): 2.8323456098169686 +""", +) + +entry( + index = 7764, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C", + kinetics = ArrheniusBM(A=(0.590528,'m^3/(mol*s)'), n=2.13653, w0=(398.5,'kJ/mol'), E0=(88.1028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7765, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C", + kinetics = ArrheniusBM(A=(1.09984e+06,'m^3/(mol*s)'), n=0.324736, w0=(398.5,'kJ/mol'), E0=(92.5401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08631154208284898, var=2.6974428965954362, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C + Total Standard Deviation in ln(k): 3.509418784740356"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 3.509418784740356""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 3.509418784740356 +""", +) + +entry( + index = 7766, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R", + kinetics = ArrheniusBM(A=(0.114416,'m^3/(mol*s)'), n=2.29324, w0=(398.5,'kJ/mol'), E0=(70.2229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_Ext-3N-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7767, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N", + kinetics = ArrheniusBM(A=(0.387619,'m^3/(mol*s)'), n=2.13602, w0=(398.5,'kJ/mol'), E0=(74.7246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7768, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + kinetics = ArrheniusBM(A=(1.35623,'m^3/(mol*s)'), n=2.25644, w0=(398.5,'kJ/mol'), E0=(68.4685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7769, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N", + kinetics = ArrheniusBM(A=(1.23178e+06,'m^3/(mol*s)'), n=0.444243, w0=(398.5,'kJ/mol'), E0=(80.1157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07585472683017777, var=2.6985886056769828, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N + Total Standard Deviation in ln(k): 3.4838445436682624"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N +Total Standard Deviation in ln(k): 3.4838445436682624""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N +Total Standard Deviation in ln(k): 3.4838445436682624 +""", +) + +entry( + index = 7770, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C", + kinetics = ArrheniusBM(A=(0.172606,'m^3/(mol*s)'), n=2.3057, w0=(398.5,'kJ/mol'), E0=(66.8943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7771, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C", + kinetics = ArrheniusBM(A=(5.54089,'m^3/(mol*s)'), n=2.0263, w0=(398.5,'kJ/mol'), E0=(63.3549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3246674727830095, var=0.9502448531527314, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C + Total Standard Deviation in ln(k): 2.7699732631411886"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 2.7699732631411886""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C +Total Standard Deviation in ln(k): 2.7699732631411886 +""", +) + +entry( + index = 7772, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N", + kinetics = ArrheniusBM(A=(0.584297,'m^3/(mol*s)'), n=2.33828, w0=(398.5,'kJ/mol'), E0=(59.2647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.902220011902678, var=0.8659484207555633, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N + Total Standard Deviation in ln(k): 4.132417734909846"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 4.132417734909846""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_4NO->N +Total Standard Deviation in ln(k): 4.132417734909846 +""", +) + +entry( + index = 7773, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N", + kinetics = ArrheniusBM(A=(0.212457,'m^3/(mol*s)'), n=2.39874, w0=(398.5,'kJ/mol'), E0=(60.6396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_3BrN->N_Ext-3N-R_N-Sp-4R!H=3N_N-4R!H->C_N-4NO->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7774, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_N-3BrN->N", + kinetics = ArrheniusBM(A=(1.23625e+07,'m^3/(mol*s)'), n=0.316068, w0=(386.5,'kJ/mol'), E0=(18.2858,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_N-3BrN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_N-3BrN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_N-3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_1C-u0_N-3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7775, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0", + kinetics = ArrheniusBM(A=(8.18477,'m^3/(mol*s)'), n=1.6672, w0=(392.5,'kJ/mol'), E0=(26.634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.504549726960221, var=36.76077664418656, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0 + Total Standard Deviation in ln(k): 23.47280643564829"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0 +Total Standard Deviation in ln(k): 23.47280643564829""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0 +Total Standard Deviation in ln(k): 23.47280643564829 +""", +) + +entry( + index = 7776, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_3BrN->N", + kinetics = ArrheniusBM(A=(1.6,'m^3/(mol*s)'), n=1.87, w0=(398.5,'kJ/mol'), E0=(24.8836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_3BrN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_3BrN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7777, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_N-3BrN->N", + kinetics = ArrheniusBM(A=(6.00222e+07,'m^3/(mol*s)'), n=-0.0613255, w0=(386.5,'kJ/mol'), E0=(22.316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_N-3BrN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_N-3BrN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_N-3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_3BrNS-u1_N-3BrNS->S_N-1C-u0_N-3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7778, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1", + kinetics = ArrheniusBM(A=(5.78425e+17,'m^3/(mol*s)'), n=-2.90839, w0=(394.667,'kJ/mol'), E0=(75.119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34228507239976863, var=24.381080382187644, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1 + Total Standard Deviation in ln(k): 10.758833552585816"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1 +Total Standard Deviation in ln(k): 10.758833552585816""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1 +Total Standard Deviation in ln(k): 10.758833552585816 +""", +) + +entry( + index = 7779, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_3BrNS->N", + kinetics = ArrheniusBM(A=(2.99185e+06,'m^3/(mol*s)'), n=0.301513, w0=(398.5,'kJ/mol'), E0=(60.3699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.104693629803725, var=14.184770274701883, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_3BrNS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_3BrNS->N + Total Standard Deviation in ln(k): 12.838543355844767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_3BrNS->N +Total Standard Deviation in ln(k): 12.838543355844767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_3BrNS->N +Total Standard Deviation in ln(k): 12.838543355844767 +""", +) + +entry( + index = 7780, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_N-3BrNS->N", + kinetics = ArrheniusBM(A=(9.79995e+07,'m^3/(mol*s)'), n=-0.0812708, w0=(387,'kJ/mol'), E0=(17.8424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_N-3BrNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_N-3BrNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_N-3BrNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_1CHN->C_N-3BrHNS->H_N-3BrNS-u1_N-3BrNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7781, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C", + kinetics = ArrheniusBM(A=(0.00186187,'m^3/(mol*s)'), n=2.86753, w0=(399.792,'kJ/mol'), E0=(27.4152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09555635373866139, var=5.200135055123481, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C + Total Standard Deviation in ln(k): 4.811650044632898"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C +Total Standard Deviation in ln(k): 4.811650044632898""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C +Total Standard Deviation in ln(k): 4.811650044632898 +""", +) + +entry( + index = 7782, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H", + kinetics = ArrheniusBM(A=(1.07348e-11,'m^3/(mol*s)'), n=5.43224, w0=(420.5,'kJ/mol'), E0=(9.69253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03768202855563831, var=1.14701700737231, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H + Total Standard Deviation in ln(k): 2.241727276361526"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H +Total Standard Deviation in ln(k): 2.241727276361526""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H +Total Standard Deviation in ln(k): 2.241727276361526 +""", +) + +entry( + index = 7783, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0", + kinetics = ArrheniusBM(A=(0.0324513,'m^3/(mol*s)'), n=2.72655, w0=(422.143,'kJ/mol'), E0=(34.101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04580700841359167, var=0.7653442563807974, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0 + Total Standard Deviation in ln(k): 1.8689145397209181"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0 +Total Standard Deviation in ln(k): 1.8689145397209181""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0 +Total Standard Deviation in ln(k): 1.8689145397209181 +""", +) + +entry( + index = 7784, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_1HN->N", + kinetics = ArrheniusBM(A=(0.0325022,'m^3/(mol*s)'), n=2.72633, w0=(409,'kJ/mol'), E0=(34.1027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0460439299146312, var=0.7661674589721568, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_1HN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_1HN->N + Total Standard Deviation in ln(k): 1.8704527696780808"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_1HN->N +Total Standard Deviation in ln(k): 1.8704527696780808""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_1HN->N +Total Standard Deviation in ln(k): 1.8704527696780808 +""", +) + +entry( + index = 7785, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_N-1HN->N", + kinetics = ArrheniusBM(A=(0.0106433,'m^3/(mol*s)'), n=2.92, w0=(432,'kJ/mol'), E0=(31.1708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.0834724112676986e-09, var=1.3938323493794698, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_N-1HN->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_N-1HN->N + Total Standard Deviation in ln(k): 2.3668038155796984"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_N-1HN->N +Total Standard Deviation in ln(k): 2.3668038155796984""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_1HN-u0_N-1HN->N +Total Standard Deviation in ln(k): 2.3668038155796984 +""", +) + +entry( + index = 7786, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_N-1HN-u0", + kinetics = ArrheniusBM(A=(480,'m^3/(mol*s)'), n=1.5, w0=(409,'kJ/mol'), E0=(53.1881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_N-1HN-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_N-1HN-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_N-1HN-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_3BrHNS->H_N-1HN-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7787, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H", + kinetics = ArrheniusBM(A=(0.0319537,'m^3/(mol*s)'), n=2.45651, w0=(396.606,'kJ/mol'), E0=(29.8999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04008102428084595, var=6.552089488933667, Tref=1000.0, N=52, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H',), comment="""BM rule fitted to 52 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H + Total Standard Deviation in ln(k): 5.232236414867491"""), + rank = 11, + shortDesc = """BM rule fitted to 52 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H +Total Standard Deviation in ln(k): 5.232236414867491""", + longDesc = +""" +BM rule fitted to 52 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H +Total Standard Deviation in ln(k): 5.232236414867491 +""", +) + +entry( + index = 7788, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0", + kinetics = ArrheniusBM(A=(0.0361828,'m^3/(mol*s)'), n=2.4444, w0=(397.989,'kJ/mol'), E0=(29.1812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03311444306047085, var=6.413992689708939, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0',), comment="""BM rule fitted to 46 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0 + Total Standard Deviation in ln(k): 5.160366442337161"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0 +Total Standard Deviation in ln(k): 5.160366442337161""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0 +Total Standard Deviation in ln(k): 5.160366442337161 +""", +) + +entry( + index = 7789, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1", + kinetics = ArrheniusBM(A=(0.00683663,'m^3/(mol*s)'), n=2.60078, w0=(398.61,'kJ/mol'), E0=(28.917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0025163803803601513, var=4.114638700161455, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1 + Total Standard Deviation in ln(k): 4.072841909053091"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1 +Total Standard Deviation in ln(k): 4.072841909053091""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1 +Total Standard Deviation in ln(k): 4.072841909053091 +""", +) + +entry( + index = 7790, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S", + kinetics = ArrheniusBM(A=(5.57747,'m^3/(mol*s)'), n=1.90681, w0=(397.5,'kJ/mol'), E0=(17.5341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.239156807258528, var=4.475855985099992, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S + Total Standard Deviation in ln(k): 4.842157915766124"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S +Total Standard Deviation in ln(k): 4.842157915766124""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S +Total Standard Deviation in ln(k): 4.842157915766124 +""", +) + +entry( + index = 7791, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R", + kinetics = ArrheniusBM(A=(1.11434,'m^3/(mol*s)'), n=2.09153, w0=(397.5,'kJ/mol'), E0=(-0.304816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.1653839930333216, var=45.01953538216854, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R + Total Standard Deviation in ln(k): 18.891753769628398"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R +Total Standard Deviation in ln(k): 18.891753769628398""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R +Total Standard Deviation in ln(k): 18.891753769628398 +""", +) + +entry( + index = 7792, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C", + kinetics = ArrheniusBM(A=(17.1917,'m^3/(mol*s)'), n=1.88958, w0=(397.5,'kJ/mol'), E0=(11.8827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6477841229812253, var=32.81110487610766, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C + Total Standard Deviation in ln(k): 15.62347978162325"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C +Total Standard Deviation in ln(k): 15.62347978162325""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C +Total Standard Deviation in ln(k): 15.62347978162325 +""", +) + +entry( + index = 7793, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.438509,'m^3/(mol*s)'), n=2.07604, w0=(397.5,'kJ/mol'), E0=(0.230052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2086723990383914, var=129.52146395220865, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 23.33969065999395"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 23.33969065999395""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 23.33969065999395 +""", +) + +entry( + index = 7794, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H#4C", + kinetics = ArrheniusBM(A=(0.000504724,'m^3/(mol*s)'), n=1.2572, w0=(397.5,'kJ/mol'), E0=(-32.5142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H#4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H#4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_Sp-5R!H#4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7795, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C", + kinetics = ArrheniusBM(A=(4.1843,'m^3/(mol*s)'), n=2.34899, w0=(397.5,'kJ/mol'), E0=(-0.192881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36200410946444267, var=1.3427291406972748, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C + Total Standard Deviation in ln(k): 3.232568691090779"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C +Total Standard Deviation in ln(k): 3.232568691090779""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C +Total Standard Deviation in ln(k): 3.232568691090779 +""", +) + +entry( + index = 7796, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C", + kinetics = ArrheniusBM(A=(2.87719,'m^3/(mol*s)'), n=2.46244, w0=(397.5,'kJ/mol'), E0=(5.71255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3232626457369831, var=1.5675404777601312, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C + Total Standard Deviation in ln(k): 3.3221752241550915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C +Total Standard Deviation in ln(k): 3.3221752241550915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C +Total Standard Deviation in ln(k): 3.3221752241550915 +""", +) + +entry( + index = 7797, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_4C-inRing", + kinetics = ArrheniusBM(A=(3.71707,'m^3/(mol*s)'), n=2.37322, w0=(397.5,'kJ/mol'), E0=(19.881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7798, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_N-4C-inRing", + kinetics = ArrheniusBM(A=(2.22708,'m^3/(mol*s)'), n=2.55165, w0=(397.5,'kJ/mol'), E0=(1.49918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_N-4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_N-4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_5R!H->C_N-4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7799, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-5R!H->C", + kinetics = ArrheniusBM(A=(8.84976,'m^3/(mol*s)'), n=2.1221, w0=(397.5,'kJ/mol'), E0=(22.6606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_4R!H->C_Ext-4C-R_N-Sp-5R!H#4C_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7800, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.000461929,'m^3/(mol*s)'), n=2.66637, w0=(397.5,'kJ/mol'), E0=(12.7983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=6.044145827343417, var=93.65368518734812, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C + Total Standard Deviation in ln(k): 34.58708650531129"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C +Total Standard Deviation in ln(k): 34.58708650531129""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_3BrNS->S_Ext-3S-R_N-4R!H->C +Total Standard Deviation in ln(k): 34.58708650531129 +""", +) + +entry( + index = 7801, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S", + kinetics = ArrheniusBM(A=(0.00672876,'m^3/(mol*s)'), n=2.58192, w0=(398.968,'kJ/mol'), E0=(32.7687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005010821134995427, var=2.8533852437388747, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S + Total Standard Deviation in ln(k): 3.398981733063055"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S +Total Standard Deviation in ln(k): 3.398981733063055""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S +Total Standard Deviation in ln(k): 3.398981733063055 +""", +) + +entry( + index = 7802, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N", + kinetics = ArrheniusBM(A=(0.00674018,'m^3/(mol*s)'), n=2.58153, w0=(399.033,'kJ/mol'), E0=(32.7834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005596826661632879, var=2.842162692415059, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N + Total Standard Deviation in ln(k): 3.3937880974375685"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N +Total Standard Deviation in ln(k): 3.3937880974375685""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N +Total Standard Deviation in ln(k): 3.3937880974375685 +""", +) + +entry( + index = 7803, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R", + kinetics = ArrheniusBM(A=(0.0351996,'m^3/(mol*s)'), n=2.38388, w0=(397.926,'kJ/mol'), E0=(37.5397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03009959803293274, var=4.466640271777579, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R + Total Standard Deviation in ln(k): 4.312519952483857"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R +Total Standard Deviation in ln(k): 4.312519952483857""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R +Total Standard Deviation in ln(k): 4.312519952483857 +""", +) + +entry( + index = 7804, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C", + kinetics = ArrheniusBM(A=(2.05163e-10,'m^3/(mol*s)'), n=4.76783, w0=(398.545,'kJ/mol'), E0=(0.00126101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05935629348591018, var=2.682445571456844, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C + Total Standard Deviation in ln(k): 3.432526246193461"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C +Total Standard Deviation in ln(k): 3.432526246193461""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C +Total Standard Deviation in ln(k): 3.432526246193461 +""", +) + +entry( + index = 7805, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.982778,'m^3/(mol*s)'), n=2.03609, w0=(399.143,'kJ/mol'), E0=(29.6169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011582860276697835, var=2.7798204605278243, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 3.3715560785620315"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.3715560785620315""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 3.3715560785620315 +""", +) + +entry( + index = 7806, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.54397e+10,'m^3/(mol*s)'), n=-1.37366, w0=(401.333,'kJ/mol'), E0=(55.4421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.042488101255454644, var=3.7696406596917775, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C + Total Standard Deviation in ln(k): 3.9990599360537247"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 3.9990599360537247""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C +Total Standard Deviation in ln(k): 3.9990599360537247 +""", +) + +entry( + index = 7807, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N", + kinetics = ArrheniusBM(A=(1.23032e+07,'m^3/(mol*s)'), n=-0.559644, w0=(397.5,'kJ/mol'), E0=(44.6127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08963637325025786, var=3.7054686199990683, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N + Total Standard Deviation in ln(k): 4.084250612646975"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N +Total Standard Deviation in ln(k): 4.084250612646975""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N +Total Standard Deviation in ln(k): 4.084250612646975 +""", +) + +entry( + index = 7808, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_1HN->N", + kinetics = ArrheniusBM(A=(49649.7,'m^3/(mol*s)'), n=0.249993, w0=(386,'kJ/mol'), E0=(39.966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7809, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_N-1HN->N", + kinetics = ArrheniusBM(A=(1.20931e+06,'m^3/(mol*s)'), n=-0.394678, w0=(409,'kJ/mol'), E0=(40.6002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_Sp-4C-3N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7810, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_N-Sp-4C-3N", + kinetics = ArrheniusBM(A=(28.481,'m^3/(mol*s)'), n=1.46275, w0=(409,'kJ/mol'), E0=(35.7871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_N-Sp-4C-3N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_N-Sp-4C-3N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_N-Sp-4C-3N +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -If a biradical CH2JJ can abstract from RCH4 to make RCH3J and CH3J -then a Y_rad CH3J should be able to abstract from RCH3J which means X_H needs -to include Xrad_H. I.e. you can abstract from a radical. To make this possible -a head node has been created X_H_or_Xrad_H which is a union of X_H and Xrad_H. -The kinetics for it have just been copied from X_H and are only defined for -abstraction by Y_rad_birad. I.e. the top level very approximate guess. +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_5R!H->C_N-Sp-4C-3N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) -Do better kinetics for this exist? Do we in fact use the reverse kinetics anyway? +entry( + index = 7811, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(7.59432,'m^3/(mol*s)'), n=1.79444, w0=(397.5,'kJ/mol'), E0=(31.91,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03941944076251086, var=2.195983619886008, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C + Total Standard Deviation in ln(k): 3.0698309768314926"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.0698309768314926""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C +Total Standard Deviation in ln(k): 3.0698309768314926 """, ) entry( - index = 1, - label = "X_H;Y_rad_birad_trirad_quadrad", - kinetics = ArrheniusEP( - A = (100000, 'cm^3/(mol*s)'), - n = 0, - alpha = 0, - E0 = (10, 'kcal/mol'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), - rank = 0, - shortDesc = u"""Default""", + index = 7812, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_1HN->N", + kinetics = ArrheniusBM(A=(334.583,'m^3/(mol*s)'), n=1.27975, w0=(386,'kJ/mol'), E0=(33.9684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0587085211417517, var=14.286451986341064, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_1HN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_1HN->N + Total Standard Deviation in ln(k): 7.724890854397815"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_1HN->N +Total Standard Deviation in ln(k): 7.724890854397815""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_1HN->N +Total Standard Deviation in ln(k): 7.724890854397815 +""", +) + +entry( + index = 7813, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_N-1HN->N", + kinetics = ArrheniusBM(A=(0.0721925,'m^3/(mol*s)'), n=2.41742, w0=(409,'kJ/mol'), E0=(28.8092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018031308500686714, var=1.1104701707310058, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_N-1HN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_N-1HN->N + Total Standard Deviation in ln(k): 2.157871534892702"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_N-1HN->N +Total Standard Deviation in ln(k): 2.157871534892702""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Ext-4C-R_N-5R!H->C_N-1HN->N +Total Standard Deviation in ln(k): 2.157871534892702 +""", +) + +entry( + index = 7814, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N", + kinetics = ArrheniusBM(A=(116.116,'m^3/(mol*s)'), n=1.36634, w0=(397.5,'kJ/mol'), E0=(50.5362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029904861840922708, var=0.5464422731998403, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N + Total Standard Deviation in ln(k): 1.5570727716703696"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N +Total Standard Deviation in ln(k): 1.5570727716703696""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N +Total Standard Deviation in ln(k): 1.5570727716703696 +""", +) + +entry( + index = 7815, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_1HN->N", + kinetics = ArrheniusBM(A=(0.606785,'m^3/(mol*s)'), n=2.07466, w0=(386,'kJ/mol'), E0=(45.4304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7816, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_N-1HN->N", + kinetics = ArrheniusBM(A=(1541.88,'m^3/(mol*s)'), n=0.989994, w0=(409,'kJ/mol'), E0=(52.6331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_Sp-4C-3N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7817, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N", + kinetics = ArrheniusBM(A=(5522.51,'m^3/(mol*s)'), n=0.867965, w0=(397.5,'kJ/mol'), E0=(61.3413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08620597409371583, var=1.5397933143648113, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N + Total Standard Deviation in ln(k): 2.7042417786202733"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N +Total Standard Deviation in ln(k): 2.7042417786202733""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N +Total Standard Deviation in ln(k): 2.7042417786202733 +""", +) + +entry( + index = 7818, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_1HN->N", + kinetics = ArrheniusBM(A=(2.07033,'m^3/(mol*s)'), n=1.9055, w0=(386,'kJ/mol'), E0=(50.8364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7819, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_N-1HN->N", + kinetics = ArrheniusBM(A=(5146.5,'m^3/(mol*s)'), n=0.820829, w0=(409,'kJ/mol'), E0=(61.9282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_4R!H->C_N-Sp-4C-3N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7820, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(873784,'m^3/(mol*s)'), n=0.258432, w0=(397.5,'kJ/mol'), E0=(71.6015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19938936811342556, var=3.0876500985585165, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C + Total Standard Deviation in ln(k): 4.023640752531318"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C +Total Standard Deviation in ln(k): 4.023640752531318""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C +Total Standard Deviation in ln(k): 4.023640752531318 +""", +) + +entry( + index = 7821, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N", + kinetics = ArrheniusBM(A=(2.43447e+12,'m^3/(mol*s)'), n=-1.6113, w0=(397.5,'kJ/mol'), E0=(95.4293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35704932993120064, var=2.1583250660438162, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N + Total Standard Deviation in ln(k): 3.842313106711301"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N +Total Standard Deviation in ln(k): 3.842313106711301""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N +Total Standard Deviation in ln(k): 3.842313106711301 +""", +) + +entry( + index = 7822, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R", + kinetics = ArrheniusBM(A=(81595.5,'m^3/(mol*s)'), n=0.486895, w0=(397.5,'kJ/mol'), E0=(71.7186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06397371619484668, var=3.4944880570536045, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R + Total Standard Deviation in ln(k): 3.908299489370099"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R +Total Standard Deviation in ln(k): 3.908299489370099""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R +Total Standard Deviation in ln(k): 3.908299489370099 +""", +) + +entry( + index = 7823, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_1HN->N", + kinetics = ArrheniusBM(A=(0.406085,'m^3/(mol*s)'), n=2.0622, w0=(386,'kJ/mol'), E0=(46.9784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7824, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_N-1HN->N", + kinetics = ArrheniusBM(A=(1009.46,'m^3/(mol*s)'), n=0.977532, w0=(409,'kJ/mol'), E0=(68.4173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-3N-R_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7825, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N", + kinetics = ArrheniusBM(A=(1.55657e+09,'m^3/(mol*s)'), n=-0.562586, w0=(386,'kJ/mol'), E0=(90.0275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017877643511394405, var=7.0562981708837835, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N + Total Standard Deviation in ln(k): 5.370235534584558"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N +Total Standard Deviation in ln(k): 5.370235534584558""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N +Total Standard Deviation in ln(k): 5.370235534584558 +""", +) + +entry( + index = 7826, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_4BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(129.068,'m^3/(mol*s)'), n=1.33871, w0=(386,'kJ/mol'), E0=(42.8288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_4BrClFINOPSSi->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_4BrClFINOPSSi->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7827, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_N-4BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(578.12,'m^3/(mol*s)'), n=1.39459, w0=(386,'kJ/mol'), E0=(51.9932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5191373305504425, var=7.0286847113238675, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_N-4BrClFINOPSSi->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_N-4BrClFINOPSSi->N + Total Standard Deviation in ln(k): 9.131814785273754"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_N-4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 9.131814785273754""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_1HN->N_N-4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 9.131814785273754 +""", +) + +entry( + index = 7828, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N", + kinetics = ArrheniusBM(A=(9.80363e+19,'m^3/(mol*s)'), n=-3.66665, w0=(409,'kJ/mol'), E0=(121.243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4519494281923015, var=22.568460196302826, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N + Total Standard Deviation in ln(k): 10.659300610591387"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N +Total Standard Deviation in ln(k): 10.659300610591387""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N +Total Standard Deviation in ln(k): 10.659300610591387 +""", +) + +entry( + index = 7829, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_4BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(3462.59,'m^3/(mol*s)'), n=0.820318, w0=(409,'kJ/mol'), E0=(67.8498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_4BrClFINOPSSi->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_4BrClFINOPSSi->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7830, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_N-4BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(2.2142e+07,'m^3/(mol*s)'), n=0.160737, w0=(409,'kJ/mol'), E0=(70.4255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01570212616821331, var=8.227109979409712e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_N-4BrClFINOPSSi->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_N-4BrClFINOPSSi->N + Total Standard Deviation in ln(k): 0.057636210618994314"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_N-4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 0.057636210618994314""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-1HN->N_N-4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 0.057636210618994314 +""", +) + +entry( + index = 7831, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N", + kinetics = ArrheniusBM(A=(2.06018e+08,'m^3/(mol*s)'), n=-0.357653, w0=(397.5,'kJ/mol'), E0=(71.3473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11707599921147166, var=1.6720361075358645, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N + Total Standard Deviation in ln(k): 2.8864283037243292"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N +Total Standard Deviation in ln(k): 2.8864283037243292""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N +Total Standard Deviation in ln(k): 2.8864283037243292 +""", +) + +entry( + index = 7832, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R", + kinetics = ArrheniusBM(A=(1257.77,'m^3/(mol*s)'), n=0.973416, w0=(397.5,'kJ/mol'), E0=(56.6195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053426368047238125, var=1.343723450807404, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R + Total Standard Deviation in ln(k): 2.4581076848611243"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R +Total Standard Deviation in ln(k): 2.4581076848611243""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R +Total Standard Deviation in ln(k): 2.4581076848611243 +""", +) + +entry( + index = 7833, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_1HN->N", + kinetics = ArrheniusBM(A=(0.660203,'m^3/(mol*s)'), n=1.9677, w0=(386,'kJ/mol'), E0=(46.94,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7834, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_N-1HN->N", + kinetics = ArrheniusBM(A=(1677.62,'m^3/(mol*s)'), n=0.883032, w0=(409,'kJ/mol'), E0=(57.4457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_Ext-4BrClFINOPSSi-R_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7835, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(152324,'m^3/(mol*s)'), n=0.645664, w0=(397.5,'kJ/mol'), E0=(60.4814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07148268480226407, var=2.5991727870792687, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N + Total Standard Deviation in ln(k): 3.4116286467173778"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 3.4116286467173778""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 3.4116286467173778 +""", +) + +entry( + index = 7836, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_1HN->N", + kinetics = ArrheniusBM(A=(2.46898,'m^3/(mol*s)'), n=2.07494, w0=(386,'kJ/mol'), E0=(42.2822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9824312499231784, var=8.306052342236342, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_1HN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_1HN->N + Total Standard Deviation in ln(k): 10.758674170668776"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_1HN->N +Total Standard Deviation in ln(k): 10.758674170668776""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_1HN->N +Total Standard Deviation in ln(k): 10.758674170668776 +""", +) + +entry( + index = 7837, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_N-1HN->N", + kinetics = ArrheniusBM(A=(7511.86,'m^3/(mol*s)'), n=0.963344, w0=(409,'kJ/mol'), E0=(58.5346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.431453355674302, var=4.6275294232977195, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_N-1HN->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_N-1HN->N + Total Standard Deviation in ln(k): 7.909141055436899"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_N-1HN->N +Total Standard Deviation in ln(k): 7.909141055436899""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_4BrClFINOPSSi->N_N-1HN->N +Total Standard Deviation in ln(k): 7.909141055436899 +""", +) + +entry( + index = 7838, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N", + kinetics = ArrheniusBM(A=(6300.82,'m^3/(mol*s)'), n=0.988266, w0=(397.5,'kJ/mol'), E0=(61.7214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1039261494873518, var=1.9283922052819278, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N + Total Standard Deviation in ln(k): 3.045027658599333"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 3.045027658599333""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N +Total Standard Deviation in ln(k): 3.045027658599333 +""", +) + +entry( + index = 7839, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_1HN->N", + kinetics = ArrheniusBM(A=(0.746878,'m^3/(mol*s)'), n=2.16771, w0=(386,'kJ/mol'), E0=(48.4973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7840, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_N-1HN->N", + kinetics = ArrheniusBM(A=(1897.87,'m^3/(mol*s)'), n=1.08303, w0=(409,'kJ/mol'), E0=(61.4862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_3BrN->N_Ext-3N-R_N-4R!H->C_N-Sp-4BrBrClClFFIINNOOPPSSSiSi=3N_N-4BrClFINOPSSi->N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7841, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_N-3BrN->N", + kinetics = ArrheniusBM(A=(82700.1,'m^3/(mol*s)'), n=1.04765, w0=(397,'kJ/mol'), E0=(33.5462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_N-3BrN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_N-3BrN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_N-3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_3BrNS-u1_N-3BrNS->S_N-3BrN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7842, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1", + kinetics = ArrheniusBM(A=(6.9308e+15,'m^3/(mol*s)'), n=-2.3257, w0=(392.9,'kJ/mol'), E0=(71.2508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008261920619899917, var=27.248124894619366, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1 + Total Standard Deviation in ln(k): 10.485422871431753"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1 +Total Standard Deviation in ln(k): 10.485422871431753""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1 +Total Standard Deviation in ln(k): 10.485422871431753 +""", +) + +entry( + index = 7843, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N", + kinetics = ArrheniusBM(A=(2695.59,'m^3/(mol*s)'), n=1.18976, w0=(391.75,'kJ/mol'), E0=(52.6394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.019940678849096, var=4.990428555588708, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N + Total Standard Deviation in ln(k): 7.041096262557462"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N +Total Standard Deviation in ln(k): 7.041096262557462""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N +Total Standard Deviation in ln(k): 7.041096262557462 +""", +) + +entry( + index = 7844, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N", + kinetics = ArrheniusBM(A=(1.40132e-07,'m^3/(mol*s)'), n=4.23502, w0=(386,'kJ/mol'), E0=(7.58445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2598434100384028, var=9.16201632990085, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N + Total Standard Deviation in ln(k): 9.233532783129176"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N +Total Standard Deviation in ln(k): 9.233532783129176""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N +Total Standard Deviation in ln(k): 9.233532783129176 +""", +) + +entry( + index = 7845, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N_Ext-3N-R", + kinetics = ArrheniusBM(A=(0.000138736,'m^3/(mol*s)'), n=3.01793, w0=(386,'kJ/mol'), E0=(6.51326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10742795295187114, var=3.1640869224837838, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N_Ext-3N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N_Ext-3N-R + Total Standard Deviation in ln(k): 3.8359182764179947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N_Ext-3N-R +Total Standard Deviation in ln(k): 3.8359182764179947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_1HN->N_Ext-3N-R +Total Standard Deviation in ln(k): 3.8359182764179947 +""", +) + +entry( + index = 7846, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_N-1HN->N", + kinetics = ArrheniusBM(A=(50977.9,'m^3/(mol*s)'), n=0.800266, w0=(409,'kJ/mol'), E0=(55.8172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_N-1HN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_N-1HN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_3BrNS->N_N-1HN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7847, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_N-3BrNS->N", + kinetics = ArrheniusBM(A=(7.9e+07,'m^3/(mol*s)'), n=7.49019e-08, w0=(397.5,'kJ/mol'), E0=(26.7276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_N-3BrNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_N-3BrNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_N-3BrNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_1HN-u0_N-3BrNS-u1_N-3BrNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7848, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0", + kinetics = ArrheniusBM(A=(8030.15,'m^3/(mol*s)'), n=0.837662, w0=(386,'kJ/mol'), E0=(63.326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020723539383102375, var=11.273897275164318, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0 + Total Standard Deviation in ln(k): 6.783292929885402"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0 +Total Standard Deviation in ln(k): 6.783292929885402""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0 +Total Standard Deviation in ln(k): 6.783292929885402 +""", +) + +entry( + index = 7849, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R", + kinetics = ArrheniusBM(A=(3.08094e+10,'m^3/(mol*s)'), n=-1.17346, w0=(386,'kJ/mol'), E0=(85.017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37526662829282453, var=6.366226202853553, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R + Total Standard Deviation in ln(k): 6.001104561358409"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R +Total Standard Deviation in ln(k): 6.001104561358409""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R +Total Standard Deviation in ln(k): 6.001104561358409 +""", +) + +entry( + index = 7850, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS", + kinetics = ArrheniusBM(A=(0.00743795,'m^3/(mol*s)'), n=2.47891, w0=(386,'kJ/mol'), E0=(61.4696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09305706678649911, var=6.203359820034933, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS + Total Standard Deviation in ln(k): 5.226914160034692"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS +Total Standard Deviation in ln(k): 5.226914160034692""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS +Total Standard Deviation in ln(k): 5.226914160034692 +""", +) + +entry( + index = 7851, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_4R!H-u0", + kinetics = ArrheniusBM(A=(2.68059e-07,'m^3/(mol*s)'), n=3.84788, w0=(386,'kJ/mol'), E0=(43.4245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.069060282258751, var=0.276312230716013, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_4R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_4R!H-u0 + Total Standard Deviation in ln(k): 1.2273155059153764"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_4R!H-u0 +Total Standard Deviation in ln(k): 1.2273155059153764""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_4R!H-u0 +Total Standard Deviation in ln(k): 1.2273155059153764 +""", +) + +entry( + index = 7852, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_N-4R!H-u0", + kinetics = ArrheniusBM(A=(3.73482e-08,'m^3/(mol*s)'), n=3.90127, w0=(386,'kJ/mol'), E0=(54.5127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0014150133408099765, var=8.738798063680472, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_N-4R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_N-4R!H-u0 + Total Standard Deviation in ln(k): 5.929844513745584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_N-4R!H-u0 +Total Standard Deviation in ln(k): 5.929844513745584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_Sp-4R!H-3BrNS_N-4R!H-u0 +Total Standard Deviation in ln(k): 5.929844513745584 +""", +) + +entry( + index = 7853, + label = "Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_N-Sp-4R!H-3BrNS", + kinetics = ArrheniusBM(A=(29.5525,'m^3/(mol*s)'), n=1.373, w0=(386,'kJ/mol'), E0=(24.5742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_N-Sp-4R!H-3BrNS',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_N-Sp-4R!H-3BrNS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_N-Sp-4R!H-3BrNS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->F_N-3BrCClHINOS->C_N-1R->O_N-1BrCClFHINS->I_N-1BrCClFHNS->F_N-1BrCClHNS->S_N-1BrCClHN->Br_N-1CCCClClClHHHNNN-u2_N-1CClHN->Cl_N-3BrClHINOS->Cl_N-3BrHINOS->I_N-3BrHNOS->O_N-1CHN->C_N-3BrHNS->H_N-1HN-u0_Ext-3BrNS-R_N-Sp-4R!H-3BrNS +Total Standard Deviation in ln(k): 11.540182761524994 +""", ) diff --git a/input/kinetics/families/H_Abstraction/training/dictionary.txt b/input/kinetics/families/H_Abstraction/training/dictionary.txt index af04932154..789b6ad79e 100644 --- a/input/kinetics/families/H_Abstraction/training/dictionary.txt +++ b/input/kinetics/families/H_Abstraction/training/dictionary.txt @@ -6,321 +6,321 @@ H2O2 C4H9O multiplicity 2 -1 O u0 p2 c0 {4,S} {14,S} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -5 *3 C u1 p0 c0 {3,S} {12,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 *3 C u1 p0 c0 {2,S} {12,S} {13,S} +5 O u0 p2 c0 {3,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} HO2 multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 O u1 p2 c0 {1,S} -3 H u0 p0 c0 {1,S} +1 O u0 p2 c0 {2,S} {3,S} +2 *1 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} C4H10O -1 O u0 p2 c0 {4,S} {15,S} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -5 *1 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 *2 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 *3 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {3,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 *2 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} C4H9O-2 multiplicity 2 -1 O u0 p2 c0 {3,S} {14,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} -4 C u0 p0 c0 {5,S} {10,S} {11,S} {12,S} -5 *3 C u1 p0 c0 {2,S} {4,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 *3 C u1 p0 c0 {1,S} {3,S} {13,S} +5 O u0 p2 c0 {2,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} C4H10O-2 -1 O u0 p2 c0 {4,S} {15,S} -2 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -3 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {9,S} -4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 *2 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {3,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} +9 *2 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} C4H9O-3 multiplicity 2 -1 O u0 p2 c0 {3,S} {14,S} -2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -5 *3 C u1 p0 c0 {2,S} {3,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} - -C4H10O-3 -1 O u0 p2 c0 {4,S} {15,S} -2 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 *2 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {13,S} +5 O u0 p2 c0 {2,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} + +C4H10O-3 +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {3,S} {15,S} +6 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} C4H9O-4 multiplicity 2 -1 O u0 p2 c0 {5,S} {14,S} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 *3 C u1 p0 c0 {1,S} {3,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 *3 C u1 p0 c0 {2,S} {5,S} {13,S} +5 O u0 p2 c0 {4,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} C4H10O-4 -1 O u0 p2 c0 {4,S} {15,S} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 *1 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 *2 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 *3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {3,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 *2 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} C4H9O-5 multiplicity 2 -1 O u0 p2 c0 {2,S} {14,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {6,S} -3 C u0 p0 c0 {2,S} {5,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 *3 C u1 p0 c0 {3,S} {12,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} - -C4H10O-5 -1 O u0 p2 c0 {2,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {6,S} -3 C u0 p0 c0 {2,S} {5,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 *1 C u0 p0 c0 {3,S} {9,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 *2 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *3 C u1 p0 c0 {2,S} {12,S} {13,S} +5 O u0 p2 c0 {1,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} -C4H9O-6 -multiplicity 2 -1 O u0 p2 c0 {2,S} {14,S} -2 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {5,S} {10,S} {11,S} {12,S} -5 *3 C u1 p0 c0 {2,S} {4,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +C4H10O-5 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *3 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {1,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 *2 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} -C4H10O-6 -1 O u0 p2 c0 {2,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {6,S} -3 *1 C u0 p0 c0 {2,S} {5,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 *2 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} +C4H9O-6 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 *3 C u1 p0 c0 {1,S} {3,S} {13,S} +5 O u0 p2 c0 {1,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} -C4H9O-7 -multiplicity 2 -1 O u0 p2 c0 {5,S} {14,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -5 *3 C u1 p0 c0 {1,S} {2,S} {4,S} -6 H u0 p0 c0 {2,S} +C4H10O-6 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {1,S} {15,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} +8 *2 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} -C4H10O-7 -1 O u0 p2 c0 {2,S} {15,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {6,S} -3 C u0 p0 c0 {2,S} {5,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 *2 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} +C4H9O-7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *3 C u1 p0 c0 {1,S} {3,S} {5,S} +5 O u0 p2 c0 {4,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} + +C4H10O-7 +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {1,S} {15,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} C4H9O-8 multiplicity 2 -1 O u0 p2 c0 {3,S} {14,S} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {2,S} {5,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 *3 C u1 p0 c0 {3,S} {12,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *3 C u1 p0 c0 {2,S} {12,S} {13,S} +5 O u0 p2 c0 {2,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} C4H10O-8 -1 O u0 p2 c0 {2,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {6,S} -3 C u0 p0 c0 {2,S} {5,S} {7,S} {8,S} -4 *1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 *2 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {1,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 *2 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} C4H9O-9 multiplicity 2 -1 O u0 p2 c0 {2,S} {14,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 *3 C u1 p0 c0 {2,S} {12,S} {13,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *3 C u1 p0 c0 {1,S} {12,S} {13,S} +5 O u0 p2 c0 {1,S} {14,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} C4H10O-9 -1 O u0 p2 c0 {2,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -6 *2 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {1,S} {15,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 *2 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} CH2O -1 O u0 p2 c0 {2,D} -2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} -3 *2 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 O u0 p2 c0 {1,D} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} C4H7 multiplicity 2 @@ -336,20 +336,20 @@ multiplicity 2 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} -HCO_r3 +CHO multiplicity 2 -1 O u0 p2 c0 {2,D} -2 *3 C u1 p0 c0 {1,D} {3,S} -3 H u0 p0 c0 {2,S} +1 *1 C u1 p0 c0 {2,D} {3,S} +2 O u0 p2 c0 {1,D} +3 H u0 p0 c0 {1,S} C4H8 -1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +1 *3 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} 3 C u0 p0 c0 {1,S} {2,S} {4,D} 4 C u0 p0 c0 {3,D} {11,S} {12,S} -5 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} @@ -371,22 +371,69 @@ C3H8 C4H9O-10 multiplicity 2 -1 O u0 p2 c0 {2,S} {14,S} -2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {5,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -5 *3 C u1 p0 c0 {2,S} {3,S} {4,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} +5 O u0 p2 c0 {1,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} + +C3H7 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} + +C4H10O-10 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {2,S} {15,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} -C3H7 +C4H10O-11 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {2,S} {15,S} +6 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} + +C3H7-2 multiplicity 2 1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} 2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} @@ -399,124 +446,165 @@ multiplicity 2 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -C4H10O-10 -1 O u0 p2 c0 {3,S} {15,S} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -6 *2 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} - -C4H10O-11 -1 O u0 p2 c0 {3,S} {15,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 *2 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} - C4H9O-11 multiplicity 2 -1 O u0 p2 c0 {5,S} {14,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 *3 C u1 p0 c0 {1,S} {2,S} {13,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 *1 C u1 p0 c0 {1,S} {5,S} {13,S} +5 O u0 p2 c0 {4,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} + +C3H8-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C4H8-2 +1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} C4H9O-12 multiplicity 2 -1 O u0 p2 c0 {3,S} {14,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 *3 C u1 p0 c0 {2,S} {12,S} {13,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {1,S} - -C4H10O-12 -1 O u0 p2 c0 {3,S} {15,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 *1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 *2 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *3 C u1 p0 c0 {1,S} {12,S} {13,S} +5 O u0 p2 c0 {2,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {1,S} -C4H9O-13 +C4H7-2 multiplicity 2 -1 *3 O u1 p2 c0 {4,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 *1 C u1 p0 c0 {2,S} {8,S} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} + +C4H10O-12 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {2,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 *2 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} + +C4H9O-13 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 *3 C u1 p0 c0 {1,S} {5,S} {13,S} +5 O u0 p2 c0 {4,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} C4H10O-13 -1 *1 O u0 p2 c0 {3,S} {15,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 *2 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {2,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} + +C4H9O-14 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 H u0 p0 c0 {1,S} +6 *3 O u1 p2 c0 {3,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} + +C4H10O-14 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 *3 O u0 p2 c0 {2,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 *2 H u0 p0 c0 {5,S} C3H6 1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} @@ -532,7 +620,7 @@ C3H6 C3H5 multiplicity 2 1 C u0 p0 c0 {2,S} {3,D} {4,S} -2 *3 C u1 p0 c0 {1,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {1,S} {5,S} {6,S} 3 C u0 p0 c0 {1,D} {7,S} {8,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} @@ -553,6 +641,33 @@ C2H6 C2H5 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C4H10O-15 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {2,S} {15,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} + +C2H5-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} @@ -560,6 +675,33 @@ multiplicity 2 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} +C4H9O-15 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {3,S} +5 O u0 p2 c0 {1,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} + +C2H6-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + C2H3 multiplicity 2 1 C u0 p0 c0 {2,D} {3,S} {4,S} @@ -569,13 +711,30 @@ multiplicity 2 5 H u0 p0 c0 {2,S} C2H4 -1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +1 *3 C u0 p0 c0 {2,D} {3,S} {4,S} 2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 *2 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 *2 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} 6 H u0 p0 c0 {2,S} +C4H10O-16 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {2,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 *2 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} + C3H5-2 multiplicity 2 1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} @@ -587,9 +746,26 @@ multiplicity 2 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} +C4H9O-16 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *1 C u1 p0 c0 {1,S} {12,S} {13,S} +5 O u0 p2 c0 {2,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} + C3H6-2 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *1 C u0 p0 c0 {1,S} {3,D} {7,S} +2 *3 C u0 p0 c0 {1,S} {3,D} {7,S} 3 C u0 p0 c0 {2,D} {8,S} {9,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} @@ -599,92 +775,116 @@ C3H6-2 9 H u0 p0 c0 {3,S} C3H6O -1 O u0 p2 c0 {4,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {1,D} {2,S} {10,S} -5 *2 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 O u0 p2 c0 {3,D} +10 H u0 p0 c0 {3,S} C3H5O multiplicity 2 -1 O u0 p2 c0 {4,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 *3 C u1 p0 c0 {2,S} {4,S} {8,S} -4 C u0 p0 c0 {1,D} {3,S} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {7,S} +3 C u0 p0 c0 {2,S} {8,D} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} - -C4H8O -1 O u0 p2 c0 {5,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 C u0 p0 c0 {1,D} {2,S} {13,S} -6 *2 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} +8 O u0 p2 c0 {3,D} +9 H u0 p0 c0 {3,S} -H +C3H5O-2 multiplicity 2 -1 *3 H u1 p0 c0 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {7,S} +3 C u0 p0 c0 {2,S} {8,D} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 O u0 p2 c0 {3,D} +9 H u0 p0 c0 {3,S} -C4H7O -multiplicity 2 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -4 *3 C u1 p0 c0 {2,S} {3,S} {5,S} -5 C u0 p0 c0 {1,D} {4,S} {12,S} +C3H6O-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 O u0 p2 c0 {3,D} +10 H u0 p0 c0 {3,S} + +C4H8O +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,D} {13,S} +5 *2 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} +12 O u0 p2 c0 {4,D} +13 H u0 p0 c0 {4,S} + +H +multiplicity 2 +1 *3 H u1 p0 c0 + +C4H7O +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {4,S} +4 C u0 p0 c0 {3,S} {11,D} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 O u0 p2 c0 {4,D} +12 H u0 p0 c0 {4,S} H2 -1 *1 H u0 p0 c0 {2,S} +1 *3 H u0 p0 c0 {2,S} 2 *2 H u0 p0 c0 {1,S} -C3H5O-2 +C3H5O-3 multiplicity 2 -1 *3 O u1 p2 c0 {4,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 C u0 p0 c0 {1,S} {3,D} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +8 *3 O u1 p2 c0 {3,S} +9 H u0 p0 c0 {3,S} -C3H6O-2 -1 *1 O u0 p2 c0 {4,S} {10,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 C u0 p0 c0 {1,S} {3,D} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 *2 H u0 p0 c0 {1,S} +C3H6O-3 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,D} {8,S} +3 C u0 p0 c0 {2,D} {4,S} {9,S} +4 *3 O u0 p2 c0 {3,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 *2 H u0 p0 c0 {4,S} -C4H8-2 +C4H8-3 1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} 3 C u0 p0 c0 {1,S} {4,D} {11,S} @@ -698,18 +898,18 @@ C4H8-2 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} -HO2_r3 +HO2-2 multiplicity 2 1 O u0 p2 c0 {2,S} {3,S} 2 *3 O u1 p2 c0 {1,S} 3 H u0 p0 c0 {1,S} -C4H7-2 +C4H7-3 multiplicity 2 1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {3,D} {8,S} 3 C u0 p0 c0 {2,D} {4,S} {9,S} -4 *3 C u1 p0 c0 {3,S} {10,S} {11,S} +4 *1 C u1 p0 c0 {3,S} {10,S} {11,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} @@ -718,7 +918,13 @@ multiplicity 2 10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {4,S} -C4H7-3 +H2O2-2 +1 O u0 p2 c0 {2,S} {3,S} +2 *3 O u0 p2 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 *2 H u0 p0 c0 {2,S} + +C4H7-4 multiplicity 2 1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} @@ -732,21 +938,21 @@ multiplicity 2 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -C4H8-3 +C4H8-4 1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} -4 C u0 p0 c0 {2,S} {3,D} {12,S} +3 C u0 p0 c0 {1,S} {4,D} {11,S} +4 *3 C u0 p0 c0 {2,S} {3,D} {12,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} -11 *2 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 *2 H u0 p0 c0 {4,S} -C4H8-4 +C4H8-5 1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} 3 C u0 p0 c0 {1,S} {4,D} {10,S} @@ -760,10 +966,10 @@ C4H8-4 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {4,S} -C4H7-4 +C4H7-5 multiplicity 2 1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *3 C u1 p0 c0 {1,S} {3,S} {8,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {8,S} 3 C u0 p0 c0 {2,S} {4,D} {9,S} 4 C u0 p0 c0 {3,D} {10,S} {11,S} 5 H u0 p0 c0 {1,S} @@ -774,7 +980,7 @@ multiplicity 2 10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {4,S} -C4H7-5 +C4H7-6 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} @@ -788,284 +994,287 @@ multiplicity 2 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} -C4H8-5 +C4H8-6 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} 3 C u0 p0 c0 {1,S} {4,D} {10,S} -4 *1 C u0 p0 c0 {3,D} {11,S} {12,S} +4 *3 C u0 p0 c0 {3,D} {11,S} {12,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 *2 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 *2 H u0 p0 c0 {4,S} C4H7O-2 multiplicity 2 -1 *3 O u1 p2 c0 {5,S} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {5,D} {11,S} -5 C u0 p0 c0 {1,S} {4,D} {12,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,D} {10,S} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +11 *3 O u1 p2 c0 {4,S} +12 H u0 p0 c0 {4,S} C4H8O-2 -1 *1 O u0 p2 c0 {5,S} {13,S} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {5,D} {11,S} -5 C u0 p0 c0 {1,S} {4,D} {12,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 *2 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,D} {11,S} +4 C u0 p0 c0 {3,D} {5,S} {12,S} +5 *3 O u0 p2 c0 {4,S} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 *2 H u0 p0 c0 {5,S} CH3O2 multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 *3 O u1 p2 c0 {1,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 O u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *3 O u1 p2 c0 {2,S} CH4O2 -1 O u0 p2 c0 {2,S} {3,S} -2 *1 O u0 p2 c0 {1,S} {7,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 *2 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 O u0 p2 c0 {1,S} {3,S} +3 *3 O u0 p2 c0 {2,S} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {3,S} + +C3H5-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *3 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C3H6-3 +1 *3 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} C4H8O-3 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 *1 C u0 p0 c0 {1,D} {3,S} {13,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *1 C u0 p0 c0 {2,S} {12,D} {13,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 *2 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 O u0 p2 c0 {4,D} +13 *2 H u0 p0 c0 {4,S} C4H7O-3 multiplicity 2 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 *3 C u1 p0 c0 {1,D} {3,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 *1 C u1 p0 c0 {2,S} {12,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 O u0 p2 c0 {4,D} -C3H6O-3 -1 O u0 p2 c0 {4,D} -2 *1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {1,D} {2,S} {3,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +C3H6O-4 +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {10,D} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 O u0 p2 c0 {3,D} -OH +HO multiplicity 2 1 *3 O u1 p2 c0 {2,S} 2 H u0 p0 c0 {1,S} -C3H5O-3 +C3H5O-4 multiplicity 2 -1 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {1,D} {2,S} {4,S} -4 *3 C u1 p0 c0 {3,S} {8,S} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {7,D} +3 *1 C u1 p0 c0 {2,S} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 O u0 p2 c0 {2,D} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} H2O -1 *1 O u0 p2 c0 {2,S} {3,S} -2 *2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} +1 *3 O u0 p2 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} C4H8O-4 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 *1 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -5 C u0 p0 c0 {1,D} {2,S} {4,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 *1 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {3,S} {13,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 *2 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 *2 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 O u0 p2 c0 {4,D} C4H7O-4 multiplicity 2 -1 O u0 p2 c0 {4,D} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {1,D} {2,S} {5,S} -5 *3 C u1 p0 c0 {4,S} {11,S} {12,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,S} {10,D} +4 *1 C u1 p0 c0 {3,S} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 O u0 p2 c0 {3,D} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} C4H8O-5 -1 O u0 p2 c0 {5,D} -2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -5 C u0 p0 c0 {1,D} {2,S} {4,S} -6 *2 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {3,S} {13,D} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 O u0 p2 c0 {4,D} C4H7O-5 multiplicity 2 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {5,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -4 *3 C u1 p0 c0 {3,S} {5,S} {12,S} -5 C u0 p0 c0 {1,D} {2,S} {4,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 *1 C u1 p0 c0 {1,S} {4,S} {12,S} +4 C u0 p0 c0 {2,S} {3,S} {11,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 O u0 p2 c0 {4,D} +12 H u0 p0 c0 {3,S} C4H8O-6 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -5 C u0 p0 c0 {1,D} {2,S} {4,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 *2 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {3,S} {13,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 O u0 p2 c0 {4,D} C4H7O-6 multiplicity 2 -1 O u0 p2 c0 {4,D} -2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {1,D} {2,S} {3,S} -5 *3 C u1 p0 c0 {2,S} {11,S} {12,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {10,D} +4 *1 C u1 p0 c0 {1,S} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 O u0 p2 c0 {3,D} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} C5H10O -1 O u0 p2 c0 {6,D} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -5 *1 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -6 C u0 p0 c0 {1,D} {2,S} {5,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 *1 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {4,S} {16,D} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 *2 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 *2 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 O u0 p2 c0 {5,D} C5H9O multiplicity 2 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -5 C u0 p0 c0 {1,D} {2,S} {6,S} -6 *3 C u1 p0 c0 {5,S} {14,S} {15,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {5,S} {13,D} +5 *1 C u1 p0 c0 {4,S} {14,S} {15,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -C5H10O-2 -1 O u0 p2 c0 {6,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -5 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -6 C u0 p0 c0 {1,D} {2,S} {5,S} -7 *2 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 O u0 p2 c0 {4,D} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -C5H9O-2 -multiplicity 2 -1 O u0 p2 c0 {6,D} -2 C u0 p0 c0 {5,S} {7,S} {8,S} {9,S} -3 C u0 p0 c0 {5,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {6,S} {13,S} {14,S} {15,S} -5 *3 C u1 p0 c0 {2,S} {3,S} {6,S} -6 C u0 p0 c0 {1,D} {4,S} {5,S} +C5H10O-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {4,S} {16,D} +6 *2 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} @@ -1075,56 +1284,109 @@ multiplicity 2 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {4,S} +16 O u0 p2 c0 {5,D} + +C5H9O-2 +multiplicity 2 +1 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {5,S} +5 C u0 p0 c0 {3,S} {4,S} {15,D} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 O u0 p2 c0 {5,D} C5H10O-3 -1 O u0 p2 c0 {6,D} -2 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -4 *1 C u0 p0 c0 {2,S} {8,S} {12,S} {13,S} -5 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -6 C u0 p0 c0 {1,D} {2,S} {5,S} +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {1,S} {4,S} {16,D} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 *2 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 O u0 p2 c0 {5,D} + +C5H9O-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {3,S} {13,D} +5 *1 C u1 p0 c0 {1,S} {14,S} {15,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} -8 *2 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 O u0 p2 c0 {4,D} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} + +C4H10O-17 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 *1 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {3,S} {15,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 *2 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -C5H9O-3 +C4H9O-17 multiplicity 2 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -4 C u0 p0 c0 {5,S} {11,S} {12,S} {13,S} -5 C u0 p0 c0 {1,D} {2,S} {4,S} -6 *3 C u1 p0 c0 {2,S} {14,S} {15,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 *1 C u1 p0 c0 {2,S} {5,S} {13,S} +5 O u0 p2 c0 {4,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {5,S} -CH4b +CH4 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 *2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} -SH +HS multiplicity 2 1 *3 S u1 p2 c0 {2,S} 2 H u0 p0 c0 {1,S} -CH3_p1 +CH3 multiplicity 2 1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} 2 H u0 p0 c0 {1,S} @@ -1133,20 +1395,10 @@ multiplicity 2 H2S 1 *3 S u0 p2 c0 {2,S} {3,S} -2 *2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} - -C2H5b -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} +2 H u0 p0 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} -C3H8b +C3H8-3 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} 3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} @@ -1159,7 +1411,7 @@ C3H8b 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} -CH2CH2CH3 +C3H7-3 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} @@ -1172,20 +1424,7 @@ multiplicity 2 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {3,S} -CH3CHCH3 -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -3 *1 C u1 p0 c0 {1,S} {2,S} {10,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} - -C4H10b +C4H10 1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} 3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} @@ -1201,7 +1440,7 @@ C4H10b 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {4,S} -CH3CHCH2CH3 +C4H9 multiplicity 2 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} @@ -1217,40 +1456,23 @@ multiplicity 2 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} -CHCH2 -multiplicity 2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *1 C u1 p0 c0 {1,D} {5,S} -3 H u0 p0 c0 {1,S} +C2H4-2 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *2 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} -CH2CHCH2 +C2H3-2 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {4,S} -2 *1 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -CH2CHCHCH3 -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *1 C u1 p0 c0 {1,S} {3,S} {8,S} -3 C u0 p0 c0 {2,S} {4,D} {9,S} -4 C u0 p0 c0 {3,D} {10,S} {11,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} - -C4H8-6 +C4H8-7 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} 3 *1 C u0 p0 c0 {1,S} {4,D} {10,S} @@ -1264,7 +1486,7 @@ C4H8-6 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {4,S} -CH2CCH2CH3 +C4H7-7 multiplicity 2 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} @@ -1278,7 +1500,7 @@ multiplicity 2 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} -C3H4-1 +C3H4 1 *1 C u0 p0 c0 {3,D} {4,S} {5,S} 2 C u0 p0 c0 {3,D} {6,S} {7,S} 3 C u0 p0 c0 {1,D} {2,D} @@ -1287,7 +1509,7 @@ C3H4-1 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} -CH2CCH +C3H3 multiplicity 2 1 C u0 p0 c0 {2,D} {4,S} {5,S} 2 C u0 p0 c0 {1,D} {3,D} @@ -1308,7 +1530,7 @@ C4H6 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {4,S} -CHCCHCH3 +C4H5 multiplicity 2 1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} 2 *1 C u1 p0 c0 {1,S} {3,S} {8,S} @@ -1320,47 +1542,57 @@ multiplicity 2 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {4,S} -O_rad +O multiplicity 3 1 *3 O u2 p2 c0 -HNCN +CHN2 multiplicity 2 -1 *1 N u0 p1 c0 {3,D} {4,S} -2 N u1 p1 c0 {3,D} -3 C u0 p0 c0 {1,D} {2,D} +1 *1 N u0 p1 c0 {2,D} {4,S} +2 C u0 p0 c0 {1,D} {3,D} +3 N u1 p1 c0 {2,D} 4 *2 H u0 p0 c0 {1,S} -OH_p23 +HO-2 multiplicity 2 1 *3 O u1 p2 c0 {2,S} 2 *2 H u0 p0 c0 {1,S} -NCN +CN2 multiplicity 3 -1 N u1 p1 c0 {3,D} -2 N u1 p1 c0 {3,D} -3 C u0 p0 c0 {1,D} {2,D} +1 *1 N u1 p1 c0 {3,D} +2 N u1 p1 c0 {3,D} +3 C u0 p0 c0 {1,D} {2,D} O2 multiplicity 3 1 *3 O u1 p2 c0 {2,S} 2 O u1 p2 c0 {1,S} +HO2-3 +multiplicity 2 +1 *3 O u0 p2 c0 {2,S} {3,S} +2 O u1 p2 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} + N multiplicity 4 1 *3 N u3 p1 c0 -NH_p23 +H2-2 +1 *1 H u0 p0 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +HN multiplicity 3 1 *3 N u2 p1 c0 {2,S} 2 *2 H u0 p0 c0 {1,S} -H_p +H-2 multiplicity 2 1 *1 H u1 p0 c0 -N2H4_r12 +H4N2 1 *1 N u0 p1 c0 {2,S} {3,S} {4,S} 2 N u0 p1 c0 {1,S} {5,S} {6,S} 3 *2 H u0 p0 c0 {1,S} @@ -1373,7 +1605,7 @@ multiplicity 2 1 O u0 p2 c0 {2,D} 2 *3 N u1 p1 c0 {1,D} -N2H3_p1 +H3N2 multiplicity 2 1 N u0 p1 c0 {2,S} {3,S} {4,S} 2 *1 N u1 p1 c0 {1,S} {5,S} @@ -1381,201 +1613,202 @@ multiplicity 2 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} -HNO_p -1 O u0 p2 c0 {2,D} -2 *3 N u0 p1 c0 {1,D} {3,S} -3 *2 H u0 p0 c0 {2,S} - -H2O_p -1 *3 O u0 p2 c0 {2,S} {3,S} -2 *2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} +HNO +1 *3 N u0 p1 c0 {2,D} {3,S} +2 O u0 p2 c0 {1,D} +3 *2 H u0 p0 c0 {1,S} -NH3_r +H3N 1 *1 N u0 p1 c0 {2,S} {3,S} {4,S} 2 *2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -NH2_p1 +H2N multiplicity 2 1 *1 N u1 p1 c0 {2,S} {3,S} 2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} -NH2_r3 +H2N-2 multiplicity 2 1 *3 N u1 p1 c0 {2,S} {3,S} 2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} -NH3_p23 +H3N-2 1 *3 N u0 p1 c0 {2,S} {3,S} {4,S} 2 *2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -OH_p1 +H2O-2 +1 *1 O u0 p2 c0 {2,S} {3,S} +2 *2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +HO-3 multiplicity 2 1 *1 O u1 p2 c0 {2,S} 2 H u0 p0 c0 {1,S} -H2S_r +H2S-2 1 *1 S u0 p2 c0 {2,S} {3,S} 2 *2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} -SH_p1 +HS-2 multiplicity 2 1 *1 S u1 p2 c0 {2,S} 2 H u0 p0 c0 {1,S} -H2_p -1 *2 H u0 p0 c0 {2,S} -2 *3 H u0 p0 c0 {1,S} - -S_rad +S multiplicity 3 1 *3 S u2 p2 c0 -HSS_r12 +HS-3 +multiplicity 2 +1 *3 S u1 p2 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +HS2 multiplicity 2 1 *1 S u0 p2 c0 {2,S} {3,S} 2 S u1 p2 c0 {1,S} 3 *2 H u0 p0 c0 {1,S} -S2_p1 +S2 multiplicity 3 1 *1 S u1 p2 c0 {2,S} 2 S u1 p2 c0 {1,S} -HSS_r3 +HS2-2 multiplicity 2 1 S u0 p2 c0 {2,S} {3,S} 2 *3 S u1 p2 c0 {1,S} 3 H u0 p0 c0 {1,S} -HSSH_p23 -1 *3 S u0 p2 c0 {2,S} {3,S} -2 S u0 p2 c0 {1,S} {4,S} -3 *2 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} +H2S2 +1 S u0 p2 c0 {2,S} {3,S} +2 *3 S u0 p2 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 *2 H u0 p0 c0 {2,S} -HSSH_r12 +H2S2-2 1 *1 S u0 p2 c0 {2,S} {3,S} 2 S u0 p2 c0 {1,S} {4,S} 3 *2 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {2,S} -HSS_p1 +HS2-3 multiplicity 2 1 S u0 p2 c0 {2,S} {3,S} 2 *1 S u1 p2 c0 {1,S} 3 H u0 p0 c0 {1,S} -HONO_r -1 *1 O u0 p2 c0 {3,S} {4,S} -2 O u0 p2 c0 {3,D} -3 N u0 p1 c0 {1,S} {2,D} +HNO2 +1 *1 O u0 p2 c0 {2,S} {4,S} +2 N u0 p1 c0 {1,S} {3,D} +3 O u0 p2 c0 {2,D} 4 *2 H u0 p0 c0 {1,S} -NO2_p +NO2 multiplicity 2 -1 O u1 p2 c0 {3,S} -2 O u0 p2 c0 {3,D} -3 *1 N u0 p1 c0 {1,S} {2,D} +1 N u0 p1 c0 {2,S} {3,D} +2 *1 O u1 p2 c0 {1,S} +3 O u0 p2 c0 {1,D} -HNO_r -1 O u0 p2 c0 {2,D} -2 *1 N u0 p1 c0 {1,D} {3,S} -3 *2 H u0 p0 c0 {2,S} +HNO-2 +1 *1 N u0 p1 c0 {2,D} {3,S} +2 O u0 p2 c0 {1,D} +3 *2 H u0 p0 c0 {1,S} -NO_p +NO-2 multiplicity 2 1 O u0 p2 c0 {2,D} 2 *1 N u1 p1 c0 {1,D} -HNO3_r -1 *1 O u0 p2 c0 {4,S} {5,S} -2 O u0 p3 c-1 {4,S} -3 O u0 p2 c0 {4,D} -4 N u0 p0 c+1 {1,S} {2,S} {3,D} -5 *2 H u0 p0 c0 {1,S} +HNO3 +1 N u0 p0 c+1 {2,S} {3,S} {4,D} +2 *1 O u0 p2 c0 {1,S} {5,S} +3 O u0 p3 c-1 {1,S} +4 O u0 p2 c0 {1,D} +5 *2 H u0 p0 c0 {2,S} -NO3_p +NO3 multiplicity 2 -1 *1 O u1 p2 c0 {4,S} -2 O u0 p3 c-1 {4,S} -3 O u0 p2 c0 {4,D} -4 N u0 p0 c+1 {1,S} {2,S} {3,D} +1 N u0 p0 c+1 {2,S} {3,S} {4,D} +2 *1 O u1 p2 c0 {1,S} +3 O u0 p3 c-1 {1,S} +4 O u0 p2 c0 {1,D} -CH2O_p -1 O u0 p2 c0 {2,D} -2 *3 C u0 p0 c0 {1,D} {3,S} {4,S} -3 *1 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +CHO-2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,D} {3,S} +2 O u0 p2 c0 {1,D} +3 H u0 p0 c0 {1,S} -NO2 +CH2O-2 +1 *3 C u0 p0 c0 {2,D} {3,S} {4,S} +2 O u0 p2 c0 {1,D} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +NO2-2 multiplicity 2 1 *3 O u1 p2 c0 {3,S} 2 O u0 p2 c0 {3,D} 3 N u0 p1 c0 {1,S} {2,D} -CHO_p1 -multiplicity 2 -1 O u0 p2 c0 {2,D} -2 *1 C u1 p0 c0 {1,D} {3,S} -3 H u0 p0 c0 {2,S} - -HONO_p -1 *3 O u0 p2 c0 {3,S} {4,S} -2 O u0 p2 c0 {3,D} -3 N u0 p1 c0 {1,S} {2,D} +HNO2-2 +1 *3 O u0 p2 c0 {2,S} {4,S} +2 N u0 p1 c0 {1,S} {3,D} +3 O u0 p2 c0 {2,D} 4 *2 H u0 p0 c0 {1,S} -HCN_r -1 N u0 p1 c0 {2,T} -2 *1 C u0 p0 c0 {1,T} {3,S} -3 *2 H u0 p0 c0 {2,S} +CHN +1 *1 C u0 p0 c0 {2,T} {3,S} +2 N u0 p1 c0 {1,T} +3 *2 H u0 p0 c0 {1,S} -CN_p +CN multiplicity 2 1 N u0 p1 c0 {2,T} 2 *1 C u1 p0 c0 {1,T} -CH3SH_r1 -1 *1 S u0 p2 c0 {2,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *2 H u0 p0 c0 {1,S} +CH4S +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 S u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} -CH3S_p +CH3S multiplicity 2 -1 S u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 S u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} -CH3SH_r2 -1 S u0 p2 c0 {2,S} {6,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *2 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {1,S} +CH4S-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 S u0 p2 c0 {1,S} {6,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} -CH2SH_p +CH3S-2 multiplicity 2 -1 S u0 p2 c0 {2,S} {5,S} -2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {1,S} +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 S u0 p2 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} -C4H10 +C4H10-2 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} 3 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} @@ -1591,7 +1824,7 @@ C4H10 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {4,S} -pC4H9 +C4H9-2 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} @@ -1607,7 +1840,7 @@ multiplicity 2 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} -iC4H10 +C4H10-3 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} 3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} @@ -1623,7 +1856,7 @@ iC4H10 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {4,S} -ipC4H9 +C4H9-3 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} @@ -1639,7 +1872,7 @@ multiplicity 2 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} -iC4H10b +C4H10-4 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} 3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} @@ -1655,7 +1888,7 @@ iC4H10b 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {4,S} -tC4H9 +C4H9-4 multiplicity 2 1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} @@ -1690,7 +1923,7 @@ C5H12 16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {5,S} -tC5H11 +C5H11 multiplicity 2 1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} @@ -1709,7 +1942,7 @@ multiplicity 2 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {4,S} -C3H6-3 +C3H6-4 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {3,D} {7,S} 3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} @@ -1720,7 +1953,7 @@ C3H6-3 8 *2 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} -vC3H5 +C3H5-4 multiplicity 2 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {3,D} {7,S} @@ -1731,7 +1964,7 @@ multiplicity 2 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} -C4H8-7 +C4H8-8 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} 3 C u0 p0 c0 {1,S} {4,D} {10,S} @@ -1745,7 +1978,7 @@ C4H8-7 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {4,S} -pC4H7 +C4H7-8 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {4,D} {7,S} @@ -1759,21 +1992,7 @@ multiplicity 2 10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {4,S} -aC4H7 -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,S} {9,S} -4 *1 C u1 p0 c0 {3,S} {10,S} {11,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} - -C5H10-1 +C5H10 1 *1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} 3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} @@ -1790,7 +2009,7 @@ C5H10-1 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {5,S} -C5H9-1 +C5H9 multiplicity 2 1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} 2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} @@ -1809,15 +2028,15 @@ multiplicity 2 C5H10-2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 *1 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} 4 C u0 p0 c0 {1,S} {5,D} {13,S} 5 C u0 p0 c0 {4,D} {14,S} {15,S} 6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} +7 *2 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} -10 *2 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} @@ -1914,8 +2133,8 @@ C4H6-2 2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} 3 C u0 p0 c0 {1,S} {4,T} 4 C u0 p0 c0 {2,S} {3,T} -5 H u0 p0 c0 {1,S} -6 *2 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} @@ -1963,422 +2182,354 @@ multiplicity 2 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {5,S} -CH3CH2NH2_1 -1 N u0 p1 c0 {2,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *2 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} +C2H7N +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 N u0 p1 c0 {1,S} {9,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} -CH2CH2NH2 -multiplicity 2 -1 N u0 p1 c0 {2,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u1 p0 c0 {2,S} {6,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} - -CH3CH2NH2_2 -1 N u0 p1 c0 {2,S} {9,S} {10,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 *2 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} +C2H6N +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 N u0 p1 c0 {1,S} {8,S} {9,S} +3 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} -CH3CHNH2 -multiplicity 2 -1 N u0 p1 c0 {3,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u1 p0 c0 {1,S} {2,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} - -CH3CH2NH2_3 -1 *1 N u0 p1 c0 {2,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 *2 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} +C2H7N-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 N u0 p1 c0 {1,S} {9,S} {10,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} + +C2H6N-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {7,S} +3 N u0 p1 c0 {2,S} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C2H7N-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 N u0 p1 c0 {1,S} {9,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 *2 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} -CH3CH2NH +C2H6N-3 multiplicity 2 -1 N u1 p1 c0 {2,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 N u1 p1 c0 {1,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} -CH3_r3 +CH3-2 multiplicity 2 1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} 2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -CH4 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} - -CH3CHNH_1 -1 N u0 p1 c0 {3,D} {8,S} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {2,S} {7,S} -4 *2 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} +CH4-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} -CH2CHNH -multiplicity 2 -1 N u0 p1 c0 {2,D} {7,S} -2 C u0 p0 c0 {1,D} {3,S} {4,S} -3 C u1 p0 c0 {2,S} {5,S} {6,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {1,S} +C2H5N +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 N u0 p1 c0 {2,D} {8,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} -CH3CHNH_2 -1 *1 N u0 p1 c0 {3,D} {8,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {2,S} {7,S} -4 H u0 p0 c0 {2,S} +C2H4N +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *1 C u1 p0 c0 {1,S} {5,S} {6,S} +3 N u0 p1 c0 {1,D} {7,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {3,S} -8 *2 H u0 p0 c0 {1,S} -CH3CHN +C2H5N-2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 N u0 p1 c0 {2,D} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {3,S} + +C2H4N-2 multiplicity 2 -1 N u1 p1 c0 {3,D} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {2,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,D} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *1 N u1 p1 c0 {2,D} +7 H u0 p0 c0 {2,S} -NH_r3 +HN-2 multiplicity 3 1 *3 N u2 p1 c0 {2,S} 2 H u0 p0 c0 {1,S} -NH2_p23 +H2N-3 multiplicity 2 1 *3 N u1 p1 c0 {2,S} {3,S} -2 *2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} +2 H u0 p0 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} -HNCO -1 O u0 p2 c0 {3,D} -2 *1 N u0 p1 c0 {3,D} {4,S} -3 C u0 p0 c0 {1,D} {2,D} -4 *2 H u0 p0 c0 {2,S} +CHNO +1 *1 N u0 p1 c0 {2,D} {4,S} +2 C u0 p0 c0 {1,D} {3,D} +3 O u0 p2 c0 {2,D} +4 *2 H u0 p0 c0 {1,S} -NCO +CNO multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *1 N u1 p1 c0 {3,D} -3 C u0 p0 c0 {1,D} {2,D} +1 C u0 p0 c0 {2,D} {3,D} +2 O u0 p2 c0 {1,D} +3 *1 N u1 p1 c0 {1,D} Cl multiplicity 2 1 *3 Cl u1 p3 c0 -HCl -1 *1 Cl u0 p3 c0 {2,S} +ClH +1 *3 Cl u0 p3 c0 {2,S} 2 *2 H u0 p0 c0 {1,S} -CH3_p23 -multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} -2 *2 H u0 p0 c0 {1,S} +C2H4O +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,D} {7,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} - -C3H7-2 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 *3 C u1 p0 c0 {1,S} {9,S} {10,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} - -C4H9 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 *3 C u1 p0 c0 {2,S} {12,S} {13,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} - -C4H9-2 -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -4 *3 C u1 p0 c0 {1,S} {3,S} {13,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} - -C2H4O -1 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,D} {2,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 *2 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} +6 O u0 p2 c0 {2,D} +7 *2 H u0 p0 c0 {2,S} C2H3O multiplicity 2 -1 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *3 C u1 p0 c0 {1,D} {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 O u0 p2 c0 {2,D} CH4O -1 O u0 p2 c0 {2,S} {6,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *2 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {1,S} - -CH3O -multiplicity 2 -1 O u0 p2 c0 {2,S} {5,S} -2 *3 C u1 p0 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 O u0 p2 c0 {1,S} {6,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} -CH4O-2 -1 *1 O u0 p2 c0 {2,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *2 H u0 p0 c0 {1,S} - -CH3O-2 +CH3O multiplicity 2 -1 *3 O u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 O u0 p2 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} C2H6O -1 O u0 p2 c0 {2,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 *2 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 O u0 p2 c0 {1,S} {9,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} C2H5O multiplicity 2 -1 O u0 p2 c0 {3,S} {8,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *3 C u1 p0 c0 {1,S} {2,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {7,S} +3 O u0 p2 c0 {2,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} C2H6O-2 -1 O u0 p2 c0 {2,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *2 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 O u0 p2 c0 {1,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} C2H5O-2 multiplicity 2 -1 O u0 p2 c0 {2,S} {8,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *3 C u1 p0 c0 {2,S} {6,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 O u0 p2 c0 {1,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} C5H10O2 -1 O u0 p2 c0 {5,S} {7,S} -2 O u0 p2 c0 {7,D} -3 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {3,S} {6,S} {8,S} {9,S} -5 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} -6 *1 C u0 p0 c0 {4,S} {14,S} {15,S} {16,S} -7 C u0 p0 c0 {1,S} {2,D} {17,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 *1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {6,S} {16,D} {17,S} +6 O u0 p2 c0 {3,S} {5,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 *2 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {3,S} +13 *2 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 O u0 p2 c0 {5,D} +17 H u0 p0 c0 {5,S} C5H9O2 multiplicity 2 -1 O u0 p2 c0 {5,S} {7,S} -2 O u0 p2 c0 {7,D} -3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {3,S} {6,S} {10,S} {11,S} -5 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} -6 *3 C u1 p0 c0 {4,S} {14,S} {15,S} -7 C u0 p0 c0 {1,S} {2,D} {16,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 *1 C u1 p0 c0 {2,S} {13,S} {14,S} +5 C u0 p0 c0 {6,S} {15,D} {16,S} +6 O u0 p2 c0 {3,S} {5,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 O u0 p2 c0 {5,D} +16 H u0 p0 c0 {5,S} C5H10O2-2 -1 O u0 p2 c0 {5,S} {7,S} -2 O u0 p2 c0 {7,D} -3 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} -4 *1 C u0 p0 c0 {3,S} {6,S} {8,S} {9,S} -5 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} -6 C u0 p0 c0 {4,S} {14,S} {15,S} {16,S} -7 C u0 p0 c0 {1,S} {2,D} {17,S} -8 *2 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {6,S} {16,D} {17,S} +6 O u0 p2 c0 {3,S} {5,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 O u0 p2 c0 {5,D} +17 H u0 p0 c0 {5,S} C5H9O2-2 multiplicity 2 -1 O u0 p2 c0 {4,S} {7,S} -2 O u0 p2 c0 {7,D} -3 C u0 p0 c0 {4,S} {6,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -5 C u0 p0 c0 {6,S} {12,S} {13,S} {14,S} -6 *3 C u1 p0 c0 {3,S} {5,S} {15,S} -7 C u0 p0 c0 {1,S} {2,D} {16,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *1 C u1 p0 c0 {1,S} {3,S} {14,S} +5 C u0 p0 c0 {6,S} {15,D} {16,S} +6 O u0 p2 c0 {2,S} {5,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 O u0 p2 c0 {5,D} +16 H u0 p0 c0 {5,S} C5H10O2-3 -1 O u0 p2 c0 {5,S} {7,S} -2 O u0 p2 c0 {7,D} -3 *1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {3,S} {6,S} {8,S} {9,S} -5 C u0 p0 c0 {1,S} {3,S} {12,S} {13,S} -6 C u0 p0 c0 {4,S} {14,S} {15,S} {16,S} -7 C u0 p0 c0 {1,S} {2,D} {17,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 *2 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {6,S} {16,D} {17,S} +6 O u0 p2 c0 {3,S} {5,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 *2 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 O u0 p2 c0 {5,D} +17 H u0 p0 c0 {5,S} C5H9O2-3 multiplicity 2 -1 O u0 p2 c0 {4,S} {7,S} -2 O u0 p2 c0 {7,D} -3 C u0 p0 c0 {5,S} {6,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -5 C u0 p0 c0 {3,S} {12,S} {13,S} {14,S} -6 *3 C u1 p0 c0 {3,S} {4,S} {15,S} -7 C u0 p0 c0 {1,S} {2,D} {16,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {14,S} +5 C u0 p0 c0 {6,S} {15,D} {16,S} +6 O u0 p2 c0 {2,S} {5,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 O u0 p2 c0 {5,D} +16 H u0 p0 c0 {5,S} C5H12-2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} @@ -2399,13 +2550,13 @@ C5H12-2 16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {5,S} -C5H11 +C5H11-2 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} 3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} 4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -5 *3 C u1 p0 c0 {1,S} {15,S} {16,S} +5 *1 C u1 p0 c0 {1,S} {15,S} {16,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} @@ -2418,16 +2569,7 @@ multiplicity 2 15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {5,S} -C3H3 -multiplicity 2 -1 C u0 p0 c0 {2,D} {4,S} {5,S} -2 C u0 p0 c0 {1,D} {3,D} -3 *3 C u1 p0 c0 {2,D} {6,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {3,S} - -C5H10 +C5H10-5 1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} 3 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} @@ -2444,13 +2586,13 @@ C5H10 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {5,S} -C5H9 +C5H9-5 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} 3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} 4 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -5 *3 C u1 p0 c0 {3,S} {4,S} {14,S} +5 *1 C u1 p0 c0 {3,S} {4,S} {14,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} @@ -2461,7 +2603,7 @@ multiplicity 2 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -C4H8-8 +C4H8-9 1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} 3 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} @@ -2475,12 +2617,12 @@ C4H8-8 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {4,S} -C4H7-6 +C4H7-9 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} 3 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -4 *3 C u1 p0 c0 {2,S} {3,S} {11,S} +4 *1 C u1 p0 c0 {2,S} {3,S} {11,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {2,S} @@ -2512,7 +2654,7 @@ multiplicity 2 3 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} 4 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} 5 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} -6 *3 C u1 p0 c0 {2,S} {5,S} {13,S} +6 *1 C u1 p0 c0 {2,S} {5,S} {13,S} 7 H u0 p0 c0 {4,S} 8 H u0 p0 c0 {4,S} 9 H u0 p0 c0 {3,S} @@ -2522,202 +2664,202 @@ multiplicity 2 13 H u0 p0 c0 {6,S} C6H12O2 -1 O u0 p2 c0 {5,S} {8,S} -2 O u0 p2 c0 {8,D} -3 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {3,S} {6,S} {9,S} {10,S} -5 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -6 *1 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -7 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {1,S} {2,D} {7,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 *1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {5,S} {7,S} {20,D} +7 O u0 p2 c0 {3,S} {6,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 *2 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {3,S} +14 *2 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 O u0 p2 c0 {6,D} C6H11O2 multiplicity 2 -1 O u0 p2 c0 {5,S} {7,S} -2 O u0 p2 c0 {7,D} -3 C u0 p0 c0 {4,S} {5,S} {9,S} {10,S} -4 C u0 p0 c0 {3,S} {8,S} {11,S} {12,S} -5 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -6 C u0 p0 c0 {7,S} {15,S} {16,S} {17,S} -7 C u0 p0 c0 {1,S} {2,D} {6,S} -8 *3 C u1 p0 c0 {4,S} {18,S} {19,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {4,S} {7,S} {17,D} +6 *1 C u1 p0 c0 {2,S} {18,S} {19,S} +7 O u0 p2 c0 {3,S} {5,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 O u0 p2 c0 {5,D} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} C6H12O2-2 -1 O u0 p2 c0 {5,S} {8,S} -2 O u0 p2 c0 {8,D} -3 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -4 *1 C u0 p0 c0 {3,S} {6,S} {9,S} {10,S} -5 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -6 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -7 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {1,S} {2,D} {7,S} -9 *2 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {5,S} {7,S} {20,D} +7 O u0 p2 c0 {3,S} {6,S} +8 *2 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 O u0 p2 c0 {6,D} C6H11O2-2 multiplicity 2 -1 O u0 p2 c0 {4,S} {8,S} -2 O u0 p2 c0 {8,D} -3 C u0 p0 c0 {4,S} {7,S} {9,S} {10,S} -4 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} -5 C u0 p0 c0 {7,S} {16,S} {17,S} {18,S} -6 C u0 p0 c0 {8,S} {13,S} {14,S} {15,S} -7 *3 C u1 p0 c0 {3,S} {5,S} {19,S} -8 C u0 p0 c0 {1,S} {2,D} {6,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} +1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {6,S} {12,S} {13,S} {14,S} +5 *1 C u1 p0 c0 {1,S} {3,S} {18,S} +6 C u0 p0 c0 {4,S} {7,S} {19,D} +7 O u0 p2 c0 {2,S} {6,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} 18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {7,S} +19 O u0 p2 c0 {6,D} C6H12O2-3 -1 O u0 p2 c0 {5,S} {8,S} -2 O u0 p2 c0 {8,D} -3 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {3,S} {6,S} {9,S} {10,S} -5 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -6 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -7 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {1,S} {2,D} {7,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 *2 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {5,S} {7,S} {20,D} +7 O u0 p2 c0 {3,S} {6,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 *2 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 O u0 p2 c0 {6,D} C6H11O2-3 multiplicity 2 -1 O u0 p2 c0 {4,S} {8,S} -2 O u0 p2 c0 {8,D} -3 C u0 p0 c0 {5,S} {7,S} {9,S} {10,S} -4 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} -5 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} -6 C u0 p0 c0 {8,S} {16,S} {17,S} {18,S} -7 *3 C u1 p0 c0 {3,S} {4,S} {19,S} -8 C u0 p0 c0 {1,S} {2,D} {6,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {3,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {5,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 *1 C u1 p0 c0 {1,S} {2,S} {18,S} +6 C u0 p0 c0 {4,S} {7,S} {19,D} +7 O u0 p2 c0 {2,S} {6,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 O u0 p2 c0 {6,D} C6H12O2-4 -1 O u0 p2 c0 {5,S} {8,S} -2 O u0 p2 c0 {8,D} -3 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {3,S} {6,S} {9,S} {10,S} -5 *1 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -6 C u0 p0 c0 {4,S} {15,S} {16,S} {17,S} -7 C u0 p0 c0 {8,S} {18,S} {19,S} {20,S} -8 C u0 p0 c0 {1,S} {2,D} {7,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 *2 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 *1 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} +6 C u0 p0 c0 {5,S} {7,S} {20,D} +7 O u0 p2 c0 {3,S} {6,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 *2 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 O u0 p2 c0 {6,D} C6H11O2-4 multiplicity 2 -1 O u0 p2 c0 {7,S} {8,S} -2 O u0 p2 c0 {8,D} -3 C u0 p0 c0 {4,S} {5,S} {9,S} {10,S} -4 C u0 p0 c0 {3,S} {7,S} {11,S} {12,S} -5 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} -6 C u0 p0 c0 {8,S} {16,S} {17,S} {18,S} -7 *3 C u1 p0 c0 {1,S} {4,S} {19,S} -8 C u0 p0 c0 {1,S} {2,D} {6,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 *1 C u1 p0 c0 {2,S} {7,S} {19,S} +6 C u0 p0 c0 {4,S} {7,S} {18,D} +7 O u0 p2 c0 {5,S} {6,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 O u0 p2 c0 {6,D} +19 H u0 p0 c0 {5,S} C2H6O-3 -1 O u0 p2 c0 {2,S} {3,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -4 *2 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 O u0 p2 c0 {1,S} {2,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} C2H5O-3 multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 *3 C u1 p0 c0 {1,S} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {3,S} {7,S} {8,S} +3 O u0 p2 c0 {1,S} {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} C6H12 1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} @@ -2746,7 +2888,7 @@ multiplicity 2 3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} 4 C u0 p0 c0 {2,S} {6,S} {13,S} {14,S} 5 C u0 p0 c0 {3,S} {6,S} {15,S} {16,S} -6 *3 C u1 p0 c0 {4,S} {5,S} {17,S} +6 *1 C u1 p0 c0 {4,S} {5,S} {17,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {1,S} @@ -2784,7 +2926,7 @@ multiplicity 2 4 C u0 p0 c0 {2,B} {5,B} {9,S} 5 C u0 p0 c0 {4,B} {6,B} {11,S} 6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 *3 C u1 p0 c0 {1,S} {13,S} {14,S} +7 *1 C u1 p0 c0 {1,S} {13,S} {14,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {3,S} @@ -2818,7 +2960,7 @@ multiplicity 2 4 C u0 p0 c0 {3,B} {5,B} {12,S} 5 C u0 p0 c0 {4,B} {6,B} {13,S} 6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 *3 C u1 p0 c0 {2,B} {6,B} +7 *1 C u1 p0 c0 {2,B} {6,B} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} @@ -2852,7 +2994,7 @@ multiplicity 2 4 C u0 p0 c0 {3,B} {6,B} {12,S} 5 C u0 p0 c0 {2,B} {7,B} {13,S} 6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 *3 C u1 p0 c0 {5,B} {6,B} +7 *1 C u1 p0 c0 {5,B} {6,B} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} @@ -2886,7 +3028,7 @@ multiplicity 2 4 C u0 p0 c0 {2,B} {6,B} {12,S} 5 C u0 p0 c0 {3,B} {7,B} {13,S} 6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 *3 C u1 p0 c0 {5,B} {6,B} +7 *1 C u1 p0 c0 {5,B} {6,B} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} @@ -2895,61 +3037,29 @@ multiplicity 2 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} -C4H9-3 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -4 *3 C u1 p0 c0 {1,S} {12,S} {13,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} - -C4H9-4 -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} - -C3H6-4 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} -4 *2 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C3H5-3 +C3H6-5 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {2,S} {8,S} {9,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3H5-5 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} -3 *3 C u1 p0 c0 {1,S} {2,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {8,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} -C3H4 +C3H4-2 1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 C u0 p0 c0 {1,S} {3,T} 3 C u0 p0 c0 {2,T} {7,S} @@ -2960,7 +3070,7 @@ C3H4 C3H3-2 multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {4,S} {5,S} +1 *1 C u1 p0 c0 {2,S} {4,S} {5,S} 2 C u0 p0 c0 {1,S} {3,T} 3 C u0 p0 c0 {2,T} {6,S} 4 H u0 p0 c0 {1,S} @@ -2988,7 +3098,7 @@ multiplicity 2 3 C u0 p0 c0 {1,B} {5,B} {9,S} 4 C u0 p0 c0 {2,B} {6,B} {10,S} 5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 *3 C u1 p0 c0 {4,B} {5,B} +6 *1 C u1 p0 c0 {4,B} {5,B} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {3,S} @@ -3019,21 +3129,21 @@ C8H9 multiplicity 2 1 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} 2 C u0 p0 c0 {3,S} {4,B} {5,B} -3 *3 C u1 p0 c0 {1,S} {2,S} {12,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {12,S} 4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {8,B} {17,S} +5 C u0 p0 c0 {2,B} {8,B} {15,S} 6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 C u0 p0 c0 {6,B} {8,B} {15,S} -8 C u0 p0 c0 {5,B} {7,B} {16,S} +7 C u0 p0 c0 {6,B} {8,B} {16,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} 9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} C9H12 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} @@ -3062,13 +3172,13 @@ C9H11 multiplicity 2 1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} 2 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} -3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {4,S} 4 C u0 p0 c0 {3,S} {5,B} {6,B} 5 C u0 p0 c0 {4,B} {7,B} {16,S} -6 C u0 p0 c0 {4,B} {9,B} {20,S} +6 C u0 p0 c0 {4,B} {9,B} {18,S} 7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {19,S} +8 C u0 p0 c0 {7,B} {9,B} {19,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {1,S} @@ -3077,20 +3187,59 @@ multiplicity 2 15 H u0 p0 c0 {2,S} 16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} -C3H5-4 +C6H5-2 multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 *3 C u1 p0 c0 {4,B} {5,B} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C6H6-2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 *3 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 C u0 p0 c0 {4,B} {5,B} {12,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 *2 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} + +C3H6-6 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 *3 C u1 p0 c0 {2,D} {8,S} +2 *1 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} 4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} +7 *2 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3H5-6 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,D} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} C4H6-3 1 C u0 p0 c0 {2,S} {3,D} {5,S} @@ -3104,12 +3253,12 @@ C4H6-3 9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {4,S} -C4H5 +C4H5-3 multiplicity 2 1 C u0 p0 c0 {2,S} {3,D} {5,S} 2 C u0 p0 c0 {1,S} {4,D} {6,S} 3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *3 C u1 p0 c0 {2,D} {9,S} +4 *1 C u1 p0 c0 {2,D} {9,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {3,S} @@ -3128,39 +3277,18 @@ C4H6-4 9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {4,S} -C4H5-3 +C4H5-4 multiplicity 2 1 C u0 p0 c0 {2,D} {4,S} {5,S} 2 C u0 p0 c0 {1,D} {6,S} {7,S} 3 C u0 p0 c0 {4,D} {8,S} {9,S} -4 *3 C u1 p0 c0 {1,S} {3,D} +4 *1 C u1 p0 c0 {1,S} {3,D} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} -CH4p -1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 *2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} - -C6H5_p1 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {8,S} -2 C u0 p0 c0 {1,B} {4,B} {7,S} -3 C u0 p0 c0 {1,B} {5,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 *1 C u1 p0 c0 {4,B} {5,B} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} - C9H8 1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} 2 C u0 p0 c0 {1,S} {3,B} {4,B} @@ -3188,7 +3316,7 @@ multiplicity 2 4 C u0 p0 c0 {3,B} {5,B} {13,S} 5 C u0 p0 c0 {4,B} {6,B} {12,S} 6 C u0 p0 c0 {5,B} {7,B} {15,S} -7 *3 C u1 p0 c0 {2,B} {6,B} +7 *1 C u1 p0 c0 {2,B} {6,B} 8 C u0 p0 c0 {1,S} {9,T} 9 C u0 p0 c0 {8,T} {16,S} 10 H u0 p0 c0 {1,S} @@ -3227,7 +3355,7 @@ multiplicity 2 5 C u0 p0 c0 {1,S} {9,D} {14,S} 6 C u0 p0 c0 {4,B} {8,B} {13,S} 7 C u0 p0 c0 {9,D} {15,S} {16,S} -8 *3 C u1 p0 c0 {1,B} {6,B} +8 *1 C u1 p0 c0 {1,B} {6,B} 9 C u0 p0 c0 {5,D} {7,D} 10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {3,S} @@ -3237,182 +3365,150 @@ multiplicity 2 15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {7,S} -H2O2_p13 -1 *1 O u0 p2 c0 {2,S} {3,S} -2 O u0 p2 c0 {1,S} {4,S} -3 *3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} +CH4O-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 O u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} -CH2OH_p +CH3O-2 multiplicity 2 -1 O u0 p2 c0 {2,S} {5,S} -2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} -CH3O_p +CH3O-3 multiplicity 2 -1 O u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} -HO2_r12 +HO2-4 multiplicity 2 1 *1 O u0 p2 c0 {2,S} {3,S} 2 O u1 p2 c0 {1,S} 3 *2 H u0 p0 c0 {1,S} -CH3OH_p -1 O u0 p2 c0 {2,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {1,S} +CH4O-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 O u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} -CH3OOH_rC -1 O u0 p2 c0 {2,S} {3,S} -2 O u0 p2 c0 {1,S} {7,S} -3 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 *2 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {2,S} +O2-2 +multiplicity 3 +1 *1 O u1 p2 c0 {2,S} +2 O u1 p2 c0 {1,S} -CH2OOH_p -multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 O u0 p2 c0 {1,S} {6,S} -3 C u1 p0 c0 {1,S} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {2,S} - -CH3OO_p -multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 O u1 p2 c0 {1,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} - -CH3OOH_p -1 O u0 p2 c0 {2,S} {3,S} -2 O u0 p2 c0 {1,S} {7,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {2,S} - -C2H3_p -multiplicity 2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u1 p0 c0 {1,D} {5,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} - -CH3CHOH_p -multiplicity 2 -1 O u0 p2 c0 {3,S} {8,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u1 p0 c0 {1,S} {2,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} - -CH2CH2OH_p -multiplicity 2 -1 O u0 p2 c0 {2,S} {8,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u1 p0 c0 {2,S} {6,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} - -CH3CH2OH_rO -1 *1 O u0 p2 c0 {2,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} +CH4O2-2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 O u0 p2 c0 {1,S} {3,S} +3 O u0 p2 c0 {2,S} {7,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 *2 H u0 p0 c0 {1,S} -CH3CH2O_p +CH3O2-2 multiplicity 2 -1 O u1 p2 c0 {3,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +1 *1 C u1 p0 c0 {2,S} {4,S} {5,S} +2 O u0 p2 c0 {1,S} {3,S} +3 O u0 p2 c0 {2,S} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +CH4O2-3 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 O u0 p2 c0 {1,S} {3,S} +3 *1 O u0 p2 c0 {2,S} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {3,S} -CH3CO_p +CH3O2-3 multiplicity 2 -1 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u1 p0 c0 {1,D} {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 O u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *1 O u1 p2 c0 {2,S} -CH3CHO_r1 -1 O u0 p2 c0 {3,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {2,S} {7,S} -4 *2 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +C2H6O-4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 O u0 p2 c0 {1,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 *2 H u0 p0 c0 {3,S} -CH2CHO_p +C2H5O-4 multiplicity 2 -1 O u0 p2 c0 {3,D} -2 C u1 p0 c0 {3,S} {4,S} {5,S} -3 C u0 p0 c0 {1,D} {2,S} {6,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 O u1 p2 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4O-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,D} {7,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 O u0 p2 c0 {2,D} +7 H u0 p0 c0 {2,S} -CH3CH2OO_r3 +C2H3O-2 multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 *3 O u1 p2 c0 {1,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} +1 *1 C u1 p0 c0 {2,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,D} {6,S} +3 O u0 p2 c0 {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2H5O2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 O u0 p2 c0 {1,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 *3 O u1 p2 c0 {3,S} -CH3CH2OOH_p -1 O u0 p2 c0 {2,S} {3,S} -2 O u0 p2 c0 {1,S} {10,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {2,S} +C2H6O2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 O u0 p2 c0 {1,S} {4,S} +4 *3 O u0 p2 c0 {3,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 *2 H u0 p0 c0 {4,S} -CH3C(O)OO_r3 +C2H3O3 multiplicity 2 1 O u0 p2 c0 {3,S} {5,S} 2 O u0 p2 c0 {5,D} @@ -3423,41 +3519,67 @@ multiplicity 2 7 H u0 p0 c0 {4,S} 8 H u0 p0 c0 {4,S} -CH3C(O)OOH_p -1 O u0 p2 c0 {2,S} {5,S} -2 O u0 p2 c0 {1,S} {9,S} -3 O u0 p2 c0 {5,D} -4 C u0 p0 c0 {5,S} {6,S} {7,S} {8,S} -5 C u0 p0 c0 {1,S} {3,D} {4,S} -6 H u0 p0 c0 {4,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {2,S} +C2H4O3 +1 O u0 p2 c0 {2,S} {5,S} +2 *3 O u0 p2 c0 {1,S} {9,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {5,S} {6,S} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {3,D} {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 *2 H u0 p0 c0 {2,S} -C4H4 -1 *1 C u0 p0 c0 {2,D} {3,S} {5,S} -2 C u0 p0 c0 {1,D} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {4,T} +C3H3-3 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +C3H4-3 +1 *3 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {7,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} + +C3H3-4 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {3,D} +3 *3 C u1 p0 c0 {2,D} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +C3H4-4 +1 *3 C u0 p0 c0 {3,D} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 C u0 p0 c0 {1,D} {2,D} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C4H4 +1 *1 C u0 p0 c0 {2,D} {3,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} 4 C u0 p0 c0 {3,T} {8,S} 5 *2 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {4,S} -C4H3_p -multiplicity 2 -1 C u0 p0 c0 {2,D} {5,S} {6,S} -2 *1 C u1 p0 c0 {1,D} {3,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {7,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {4,S} - C4H3 multiplicity 2 1 C u0 p0 c0 {2,D} {5,S} {6,S} -2 *3 C u1 p0 c0 {1,D} {3,S} +2 *1 C u1 p0 c0 {1,D} {3,S} 3 C u0 p0 c0 {2,S} {4,T} 4 C u0 p0 c0 {3,T} {7,S} 5 H u0 p0 c0 {1,S} @@ -3476,7 +3598,7 @@ C4H6-5 9 *2 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {3,S} -C4H5-4_p +C4H5-5 multiplicity 2 1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {3,D} {8,S} @@ -3488,69 +3610,6 @@ multiplicity 2 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {4,S} -C4H5-4 -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,D} -4 *3 C u1 p0 c0 {3,D} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} - -C4H5-5 -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *3 C u1 p0 c0 {1,S} {3,S} {8,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} - -HO -multiplicity 2 -1 *1 O u1 p2 c0 {2,S} -2 *2 H u0 p0 c0 {1,S} - -C7H7_p -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {10,S} -4 C u0 p0 c0 {2,B} {5,B} {9,S} -5 C u0 p0 c0 {4,B} {6,B} {11,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 *1 C u1 p0 c0 {1,S} {13,S} {14,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {7,S} - -C7H7-3_p -multiplicity 2 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,B} {5,B} -3 C u0 p0 c0 {2,B} {4,B} {11,S} -4 C u0 p0 c0 {3,B} {6,B} {12,S} -5 C u0 p0 c0 {2,B} {7,B} {13,S} -6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 *1 C u1 p0 c0 {5,B} {6,B} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} - C12H8 1 C u0 p0 c0 {2,B} {3,B} {4,B} 2 C u0 p0 c0 {1,B} {6,B} {9,S} @@ -3586,7 +3645,7 @@ multiplicity 2 9 C u0 p0 c0 {5,B} {8,B} {14,S} 10 C u0 p0 c0 {6,B} {7,B} {17,S} 11 C u0 p0 c0 {3,S} {12,D} {19,S} -12 *3 C u1 p0 c0 {4,S} {11,D} +12 *1 C u1 p0 c0 {4,S} {11,D} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {9,S} 15 H u0 p0 c0 {8,S} @@ -3626,7 +3685,7 @@ multiplicity 2 7 C u0 p0 c0 {3,B} {6,B} {14,S} 8 C u0 p0 c0 {4,B} {9,B} {11,S} 9 C u0 p0 c0 {8,B} {10,B} {17,S} -10 *3 C u1 p0 c0 {2,B} {9,B} +10 *1 C u1 p0 c0 {2,B} {9,B} 11 H u0 p0 c0 {8,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} @@ -3666,6 +3725,66 @@ multiplicity 2 7 C u0 p0 c0 {4,B} {6,B} {14,S} 8 C u0 p0 c0 {2,B} {10,B} {17,S} 9 C u0 p0 c0 {5,B} {10,B} {16,S} +10 *1 C u1 p0 c0 {8,B} {9,B} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {8,S} + +C10H7-3 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {10,B} +3 C u0 p0 c0 {1,B} {7,B} {15,S} +4 C u0 p0 c0 {1,B} {8,B} {16,S} +5 C u0 p0 c0 {2,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {3,B} {6,B} {14,S} +8 C u0 p0 c0 {4,B} {9,B} {11,S} +9 C u0 p0 c0 {8,B} {10,B} {17,S} +10 *3 C u1 p0 c0 {2,B} {9,B} +11 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} + +C10H8-3 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 *3 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {9,B} {13,S} +5 C u0 p0 c0 {2,B} {10,B} {15,S} +6 C u0 p0 c0 {2,B} {8,B} {16,S} +7 C u0 p0 c0 {3,B} {8,B} {12,S} +8 C u0 p0 c0 {6,B} {7,B} {14,S} +9 C u0 p0 c0 {4,B} {10,B} {17,S} +10 C u0 p0 c0 {5,B} {9,B} {18,S} +11 *2 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + +C10H7-4 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {8,B} +3 C u0 p0 c0 {1,B} {6,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {1,B} {9,B} {11,S} +6 C u0 p0 c0 {3,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 C u0 p0 c0 {2,B} {10,B} {17,S} +9 C u0 p0 c0 {5,B} {10,B} {16,S} 10 *3 C u1 p0 c0 {8,B} {9,B} 11 H u0 p0 c0 {5,S} 12 H u0 p0 c0 {3,S} @@ -3675,6 +3794,26 @@ multiplicity 2 16 H u0 p0 c0 {9,S} 17 H u0 p0 c0 {8,S} +C10H8-4 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {2,B} {8,B} {14,S} +5 C u0 p0 c0 {1,B} {9,B} {15,S} +6 C u0 p0 c0 {2,B} {10,B} {16,S} +7 *3 C u0 p0 c0 {3,B} {8,B} {11,S} +8 C u0 p0 c0 {4,B} {7,B} {13,S} +9 C u0 p0 c0 {5,B} {10,B} {17,S} +10 C u0 p0 c0 {6,B} {9,B} {18,S} +11 *2 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + C2H multiplicity 2 1 C u0 p0 c0 {2,T} {3,S} @@ -3683,32 +3822,27 @@ multiplicity 2 C2H2 1 C u0 p0 c0 {2,T} {3,S} -2 *1 C u0 p0 c0 {1,T} {4,S} +2 *3 C u0 p0 c0 {1,T} {4,S} 3 H u0 p0 c0 {1,S} 4 *2 H u0 p0 c0 {2,S} -HO2_p23 -multiplicity 2 -1 *3 O u0 p2 c0 {2,S} {3,S} -2 O u1 p2 c0 {1,S} -3 *2 H u0 p0 c0 {1,S} - -C2H3O-2 +C2H3O-3 multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *3 C u1 p0 c0 {3,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {2,S} {4,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 O u0 p2 c0 {2,D} -CH3O_p1 -multiplicity 2 -1 *1 O u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +C2H4O-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u0 p0 c0 {1,S} {6,D} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 O u0 p2 c0 {2,D} +7 *2 H u0 p0 c0 {2,S} CH2 multiplicity 3 @@ -3716,282 +3850,386 @@ multiplicity 3 2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} -CH3 +CH3-3 multiplicity 2 -1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} 2 H u0 p0 c0 {1,S} 3 H u0 p0 c0 {1,S} 4 *2 H u0 p0 c0 {1,S} -C3H8O -1 O u0 p2 c0 {3,S} {12,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 *1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 *2 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {1,S} - -C3H7O +CH3O-4 multiplicity 2 -1 O u0 p2 c0 {3,S} {11,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 *3 C u1 p0 c0 {2,S} {9,S} {10,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {1,S} +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 O u0 p2 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} -C2 -multiplicity 3 -1 C u1 p0 c0 {2,T} -2 *3 C u1 p0 c0 {1,T} +CH4O-4 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 O u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} -C2H-2 -multiplicity 2 +C2H2-2 1 *1 C u0 p0 c0 {2,T} {3,S} -2 C u1 p0 c0 {1,T} +2 C u0 p0 c0 {1,T} {4,S} 3 *2 H u0 p0 c0 {1,S} - -C2H3O-3 -multiplicity 2 -1 *3 O u1 p2 c0 {3,S} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 C u0 p0 c0 {1,S} {2,D} {6,S} 4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -C2H4O-2 -1 *1 O u0 p2 c0 {2,S} {7,S} -2 C u0 p0 c0 {1,S} {3,D} {4,S} -3 C u0 p0 c0 {2,D} {5,S} {6,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 *2 H u0 p0 c0 {1,S} +C2H-2 +multiplicity 2 +1 C u0 p0 c0 {2,T} {3,S} +2 *1 C u1 p0 c0 {1,T} +3 H u0 p0 c0 {1,S} -C2H6O2 -1 O u0 p2 c0 {2,S} {3,S} -2 *1 O u0 p2 c0 {1,S} {10,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 *2 H u0 p0 c0 {2,S} +C4H9-5 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} -C3H8O2 -1 O u0 p2 c0 {2,S} {3,S} -2 *1 O u0 p2 c0 {1,S} {13,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -5 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} -13 *2 H u0 p0 c0 {2,S} +C4H10-5 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} -C3H7O2 -multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 *3 O u1 p2 c0 {1,S} -3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -5 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} +C3H8O +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 O u0 p2 c0 {2,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 *2 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} -C3H7O2-2 +C3H7O multiplicity 2 -1 O u0 p2 c0 {2,S} {5,S} -2 O u0 p2 c0 {1,S} {12,S} -3 C u0 p0 c0 {5,S} {6,S} {7,S} {8,S} -4 C u0 p0 c0 {5,S} {9,S} {10,S} {11,S} -5 *3 C u1 p0 c0 {1,S} {3,S} {4,S} -6 H u0 p0 c0 {3,S} +1 O u0 p2 c0 {3,S} {11,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 *1 C u1 p0 c0 {2,S} {9,S} {10,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {3,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {1,S} -C3H8O2-2 -1 O u0 p2 c0 {2,S} {3,S} -2 O u0 p2 c0 {1,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -5 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -6 *2 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {2,S} +C2 +multiplicity 3 +1 *3 C u1 p0 c0 {2,T} +2 C u1 p0 c0 {1,T} -C2H5S +C2H-3 multiplicity 2 -1 S u0 p2 c0 {3,S} {8,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *3 C u1 p0 c0 {1,S} {2,S} {7,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +1 *3 C u0 p0 c0 {2,T} {3,S} +2 C u1 p0 c0 {1,T} +3 *2 H u0 p0 c0 {1,S} + +C2H3O-4 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {3,S} {6,S} +3 *3 O u1 p2 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -C2H4S -1 S u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,D} {2,S} {7,S} -4 H u0 p0 c0 {2,S} +C2H4O-4 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *3 O u0 p2 c0 {1,S} {7,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {2,S} 6 H u0 p0 c0 {2,S} 7 *2 H u0 p0 c0 {3,S} -C2H6S -1 S u0 p2 c0 {2,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 *2 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} +C2H6O2-2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 O u0 p2 c0 {1,S} {4,S} +4 *1 O u0 p2 c0 {3,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 *2 H u0 p0 c0 {4,S} -C2H3S +C2H5O2-2 multiplicity 2 -1 S u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *3 C u1 p0 c0 {1,D} {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 O u0 p2 c0 {1,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 *1 O u1 p2 c0 {3,S} -C3H6S -1 S u0 p2 c0 {4,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {1,D} {2,S} {10,S} -5 *2 H u0 p0 c0 {2,S} +C3H8O2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 O u0 p2 c0 {1,S} {5,S} +5 *1 O u0 p2 c0 {4,S} {13,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 *2 H u0 p0 c0 {5,S} + +C3H7O2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 O u0 p2 c0 {1,S} {12,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 *1 O u1 p2 c0 {4,S} -C3H5S +C3H7O2-2 multiplicity 2 -1 S u0 p2 c0 {4,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 *3 C u1 p0 c0 {2,S} {4,S} {8,S} -4 C u0 p0 c0 {1,D} {3,S} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 O u0 p2 c0 {3,S} {5,S} +5 O u0 p2 c0 {4,S} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} -C3H6S-2 -1 S u0 p2 c0 {2,S} {10,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {4,D} {7,S} -4 C u0 p0 c0 {3,D} {8,S} {9,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {1,S} +C3H8O2-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 O u0 p2 c0 {1,S} {5,S} +5 O u0 p2 c0 {4,S} {13,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} -CH3S +C2H3O-5 multiplicity 2 -1 *3 S u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} +1 *3 C u1 p0 c0 {2,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 O u0 p2 c0 {2,D} 4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} -C3H5S-2 -multiplicity 2 -1 S u0 p2 c0 {3,S} {9,S} -2 C u0 p0 c0 {3,S} {4,D} {5,S} -3 *3 C u1 p0 c0 {1,S} {2,S} {6,S} -4 C u0 p0 c0 {2,D} {7,S} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {1,S} +C2H4O-5 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,D} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 O u0 p2 c0 {2,D} +7 H u0 p0 c0 {2,S} -CHS +C2H5S multiplicity 2 -1 S u0 p2 c0 {2,D} -2 *3 C u1 p0 c0 {1,D} {3,S} -3 H u0 p0 c0 {2,S} - -CH2S -1 S u0 p2 c0 {2,D} -2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} -3 *2 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {7,S} +3 S u0 p2 c0 {2,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} -CHS_p1 -multiplicity 2 -1 S u0 p2 c0 {2,D} -2 *1 C u1 p0 c0 {1,D} {3,S} -3 H u0 p0 c0 {2,S} +C2H4S +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,D} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} +7 *2 H u0 p0 c0 {2,S} -C2H6OS -1 S u0 p2 c0 {3,S} {9,S} -2 O u0 p2 c0 {3,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} -4 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} -5 *2 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {4,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} +C2H6S +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 S u0 p2 c0 {1,S} {9,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} -C2H5OS +C2H3S multiplicity 2 -1 S u0 p2 c0 {4,S} {8,S} -2 O u0 p2 c0 {4,S} {9,S} -3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} -CH2OS -1 *1 S u0 p2 c0 {3,S} {5,S} +C3H6S +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 S u0 p2 c0 {3,D} +10 H u0 p0 c0 {3,S} + +C3H5S +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {7,S} +3 C u0 p0 c0 {2,S} {8,D} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 S u0 p2 c0 {3,D} +9 H u0 p0 c0 {3,S} + +C3H6S-2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 S u0 p2 c0 {1,S} {10,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} + +CH3S-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 S u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CH4S-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 S u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} + +C3H5S-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 *1 C u1 p0 c0 {1,S} {4,S} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 S u0 p2 c0 {2,S} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +CHS +multiplicity 2 +1 *3 C u1 p0 c0 {2,D} {3,S} +2 S u0 p2 c0 {1,D} +3 H u0 p0 c0 {1,S} + +CH2S +1 *3 C u0 p0 c0 {2,D} {3,S} {4,S} +2 S u0 p2 c0 {1,D} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2S-2 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 S u0 p2 c0 {1,D} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CHS-2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,D} {3,S} +2 S u0 p2 c0 {1,D} +3 H u0 p0 c0 {1,S} + +C2H6OS +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 S u0 p2 c0 {1,S} {9,S} +4 O u0 p2 c0 {1,S} {10,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} + +C2H5OS +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {4,S} +3 S u0 p2 c0 {2,S} {8,S} +4 O u0 p2 c0 {2,S} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +CH2OS +1 *1 S u0 p2 c0 {3,S} {5,S} 2 O u0 p2 c0 {3,D} 3 C u0 p0 c0 {1,S} {2,D} {4,S} 4 H u0 p0 c0 {3,S} @@ -3999,24 +4237,42 @@ CH2OS CHOS multiplicity 2 -1 *3 S u1 p2 c0 {3,S} +1 *1 S u1 p2 c0 {3,S} 2 O u0 p2 c0 {3,D} 3 C u0 p0 c0 {1,S} {2,D} {4,S} 4 H u0 p0 c0 {3,S} +C2H4O-6 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *1 O u0 p2 c0 {1,S} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 *2 H u0 p0 c0 {3,S} + +C2H3O-6 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *1 O u1 p2 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + C7H12 1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} 2 C u0 p0 c0 {3,S} {4,S} {5,S} {9,S} 3 C u0 p0 c0 {1,S} {2,S} {18,S} {19,S} -4 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} +4 *1 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} 5 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} 6 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} -7 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +7 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 *2 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} 11 H u0 p0 c0 {7,S} -12 H u0 p0 c0 {4,S} +12 *2 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {5,S} @@ -4033,7 +4289,7 @@ multiplicity 2 4 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} 5 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} 6 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} -7 *3 C u1 p0 c0 {2,S} {6,S} {18,S} +7 *1 C u1 p0 c0 {2,S} {6,S} {18,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} @@ -4046,7 +4302,35 @@ multiplicity 2 17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {7,S} -C5H9-5 +C4H7-10 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {8,S} +3 C u0 p0 c0 {2,S} {4,D} {9,S} +4 C u0 p0 c0 {3,D} {10,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +C4H8-10 +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,D} {10,S} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} + +C5H9-6 multiplicity 2 1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} 2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} @@ -4063,6 +4347,23 @@ multiplicity 2 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {5,S} +C5H10-6 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {5,D} {13,S} +5 C u0 p0 c0 {4,D} {14,S} {15,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} + C5H7-2 multiplicity 2 1 *3 C u1 p0 c0 {2,S} {3,S} {7,S} @@ -4079,7 +4380,7 @@ multiplicity 2 12 H u0 p0 c0 {5,S} C5H8-2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {4,D} {8,S} 3 C u0 p0 c0 {1,S} {5,D} {9,S} 4 C u0 p0 c0 {2,D} {10,S} {11,S} @@ -4112,7 +4413,7 @@ multiplicity 2 15 H u0 p0 c0 {6,S} C6H10 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} 2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} 3 C u0 p0 c0 {1,S} {5,D} {11,S} 4 C u0 p0 c0 {1,S} {6,D} {12,S} @@ -4129,6 +4430,30 @@ C6H10 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {6,S} +C4H5-6 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {8,S} +3 C u0 p0 c0 {2,S} {4,T} +4 C u0 p0 c0 {3,T} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} + +C4H6-6 +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {10,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} + C5H7-3 multiplicity 2 1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} @@ -4144,6 +4469,21 @@ multiplicity 2 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {5,S} +C5H8-3 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {5,T} +5 C u0 p0 c0 {4,T} {13,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} + C5H3 multiplicity 2 1 *3 C u1 p0 c0 {2,S} {3,S} {6,S} @@ -4156,7 +4496,7 @@ multiplicity 2 8 H u0 p0 c0 {5,S} C5H4 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} 2 C u0 p0 c0 {1,S} {4,T} 3 C u0 p0 c0 {1,S} {5,T} 4 C u0 p0 c0 {2,T} {8,S} @@ -4166,7 +4506,7 @@ C5H4 8 H u0 p0 c0 {4,S} 9 H u0 p0 c0 {5,S} -C6H5-2 +C6H5-3 multiplicity 2 1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} 2 *3 C u1 p0 c0 {1,S} {3,S} {4,S} @@ -4180,8 +4520,8 @@ multiplicity 2 10 H u0 p0 c0 {5,S} 11 H u0 p0 c0 {6,S} -C6H6-2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +C6H6-3 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} 2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} 3 C u0 p0 c0 {1,S} {5,T} 4 C u0 p0 c0 {1,S} {6,T} @@ -4194,52 +4534,216 @@ C6H6-2 11 H u0 p0 c0 {5,S} 12 H u0 p0 c0 {6,S} -C7H12-2 -1 *1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {4,S} {5,S} {9,S} -3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} -6 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} -7 C u0 p0 c0 {1,S} {5,S} {18,S} {19,S} -8 *2 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} - -C7H11-2 +C7H7-5 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {7,S} {17,S} {18,S} -5 C u0 p0 c0 {2,S} {7,S} {13,S} {14,S} -6 C u0 p0 c0 {3,S} {7,S} {15,S} {16,S} -7 *3 C u1 p0 c0 {4,S} {5,S} {6,S} +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {10,S} +4 C u0 p0 c0 {2,B} {5,B} {9,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 *3 C u1 p0 c0 {1,S} {13,S} {14,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} + +C7H8-5 +1 *3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {7,B} {13,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {1,S} +10 *2 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} -C7H12-3 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +C8H9-2 +multiplicity 2 +1 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +2 C u0 p0 c0 {3,S} {4,B} {5,B} +3 *3 C u1 p0 c0 {1,S} {2,S} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {8,B} {17,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} + +C8H10-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} +7 C u0 p0 c0 {6,B} {8,B} {16,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 H u0 p0 c0 {1,S} +10 *2 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} + +C9H11-2 +multiplicity 2 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 C u0 p0 c0 {3,S} {5,B} {6,B} +5 C u0 p0 c0 {4,B} {7,B} {16,S} +6 C u0 p0 c0 {4,B} {9,B} {20,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {6,S} + +C9H12-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {5,B} {6,B} +5 C u0 p0 c0 {4,B} {7,B} {17,S} +6 C u0 p0 c0 {4,B} {9,B} {21,S} +7 C u0 p0 c0 {5,B} {8,B} {18,S} +8 C u0 p0 c0 {7,B} {9,B} {19,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 *2 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {6,S} + +C4H5-7 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {4,D} {8,S} {9,S} +4 *3 C u1 p0 c0 {1,S} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C4H6-7 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 *3 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} + +C4H3-2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {5,S} {6,S} +2 *3 C u1 p0 c0 {1,D} {3,S} +3 C u0 p0 c0 {2,S} {4,T} +4 C u0 p0 c0 {3,T} {7,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {4,S} + +C4H4-2 +1 *3 C u0 p0 c0 {2,D} {3,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {8,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} + +C7H12-2 +1 *1 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} +5 C u0 p0 c0 {2,S} {7,S} {12,S} {13,S} +6 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +7 C u0 p0 c0 {1,S} {5,S} {18,S} {19,S} +8 *2 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} + +C7H11-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {7,S} {15,S} {16,S} +5 C u0 p0 c0 {2,S} {7,S} {13,S} {14,S} +6 C u0 p0 c0 {3,S} {7,S} {17,S} {18,S} +7 *1 C u1 p0 c0 {4,S} {5,S} {6,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} + +C7H12-3 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} 4 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} 5 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} 6 C u0 p0 c0 {2,S} {4,S} {16,S} {17,S} @@ -4265,7 +4769,7 @@ multiplicity 2 4 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} 5 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} 6 C u0 p0 c0 {2,S} {5,S} {16,S} {17,S} -7 *3 C u1 p0 c0 {1,S} {2,S} {18,S} +7 *1 C u1 p0 c0 {1,S} {2,S} {18,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} @@ -4279,16 +4783,16 @@ multiplicity 2 18 H u0 p0 c0 {7,S} C8H14 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {9,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {9,S} 3 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} 4 C u0 p0 c0 {2,S} {7,S} {13,S} {14,S} 5 C u0 p0 c0 {2,S} {8,S} {17,S} {18,S} 6 C u0 p0 c0 {1,S} {7,S} {21,S} {22,S} 7 C u0 p0 c0 {4,S} {6,S} {15,S} {16,S} 8 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} -9 *2 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 *2 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} @@ -4305,18 +4809,18 @@ C8H14 C8H13 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} 3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {6,S} {10,S} {11,S} 5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} 6 C u0 p0 c0 {4,S} {8,S} {18,S} {19,S} 7 C u0 p0 c0 {5,S} {8,S} {20,S} {21,S} -8 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +8 *1 C u1 p0 c0 {1,S} {6,S} {7,S} 9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {5,S} @@ -4329,8 +4833,8 @@ multiplicity 2 C9H16 1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} 2 C u0 p0 c0 {1,S} {3,S} {6,S} {11,S} -3 C u0 p0 c0 {2,S} {7,S} {14,S} {15,S} -4 *1 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {2,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} 5 C u0 p0 c0 {1,S} {8,S} {20,S} {21,S} 6 C u0 p0 c0 {2,S} {9,S} {22,S} {23,S} 7 C u0 p0 c0 {3,S} {4,S} {16,S} {17,S} @@ -4339,8 +4843,8 @@ C9H16 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {4,S} -13 *2 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 *2 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {7,S} @@ -4357,23 +4861,23 @@ C9H15 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} 2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} +3 C u0 p0 c0 {1,S} {7,S} {18,S} {19,S} +4 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} 5 C u0 p0 c0 {1,S} {8,S} {20,S} {21,S} -6 C u0 p0 c0 {3,S} {7,S} {12,S} {13,S} -7 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {7,S} {12,S} {13,S} +7 C u0 p0 c0 {3,S} {6,S} {16,S} {17,S} 8 C u0 p0 c0 {5,S} {9,S} {22,S} {23,S} -9 *3 C u1 p0 c0 {2,S} {8,S} {24,S} +9 *1 C u1 p0 c0 {2,S} {8,S} {24,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} 20 H u0 p0 c0 {5,S} 21 H u0 p0 c0 {5,S} 22 H u0 p0 c0 {8,S} @@ -4417,7 +4921,7 @@ multiplicity 2 6 C u0 p0 c0 {4,S} {5,S} {18,S} {19,S} 7 C u0 p0 c0 {1,S} {9,S} {20,S} {21,S} 8 C u0 p0 c0 {2,S} {9,S} {22,S} {23,S} -9 *3 C u1 p0 c0 {7,S} {8,S} {24,S} +9 *1 C u1 p0 c0 {7,S} {8,S} {24,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {3,S} @@ -4425,1186 +4929,4649 @@ multiplicity 2 14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} + +H2N-4 +multiplicity 2 +1 *1 N u1 p1 c0 {2,S} {3,S} +2 *2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +HN-3 +multiplicity 3 +1 *1 N u2 p1 c0 {2,S} +2 H u0 p0 c0 {1,S} + +CH3-4 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 *2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2-2 +multiplicity 3 +1 *1 C u2 p0 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} + +HO-4 +multiplicity 2 +1 *1 O u1 p2 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +O-2 +multiplicity 3 +1 *1 O u2 p2 c0 + +HN-4 +multiplicity 3 +1 *1 N u2 p1 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +N-2 +multiplicity 4 +1 *1 N u3 p1 c0 + +H2N2 +1 *1 N u0 p1 c0 {2,D} {3,S} +2 N u0 p1 c0 {1,D} {4,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +HN2 +multiplicity 2 +1 N u0 p1 c0 {2,D} {3,S} +2 *1 N u1 p1 c0 {1,D} +3 H u0 p0 c0 {1,S} + +CH3NO +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 N u0 p1 c0 {1,D} {3,S} +3 *1 O u0 p2 c0 {2,S} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {3,S} + +CH2NO +multiplicity 2 +1 *1 O u1 p2 c0 {2,S} +2 N u0 p1 c0 {1,S} {3,D} +3 C u0 p0 c0 {2,D} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} + +CN-2 +multiplicity 2 +1 N u0 p1 c0 {2,T} +2 *3 C u1 p0 c0 {1,T} + +CHN-2 +1 *3 C u0 p0 c0 {2,T} {3,S} +2 N u0 p1 c0 {1,T} +3 *2 H u0 p0 c0 {1,S} + +CH3N +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 N u0 p1 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {2,S} + +CH2N +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 N u1 p1 c0 {1,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH3N-2 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 N u0 p1 c0 {1,D} {5,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +CH2N-2 +multiplicity 2 +1 N u0 p1 c0 {2,D} {3,S} +2 *1 C u1 p0 c0 {1,D} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +CH5N +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 N u0 p1 c0 {1,S} {6,S} {7,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +CH4N +multiplicity 2 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *1 C u1 p0 c0 {1,S} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +CH5N-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 N u0 p1 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +CH4N-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 N u1 p1 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +CNO-2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,D} +2 O u0 p2 c0 {1,D} +3 *3 N u1 p1 c0 {1,D} + +CHNO-2 +1 *3 N u0 p1 c0 {2,D} {4,S} +2 C u0 p0 c0 {1,D} {3,D} +3 O u0 p2 c0 {2,D} +4 *2 H u0 p0 c0 {1,S} + +C2H4N-3 +multiplicity 2 +1 *1 C u1 p0 c0 {3,S} {6,S} {7,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 N u0 p1 c0 {1,S} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} + +C2H3N +multiplicity 3 +1 N u0 p1 c0 {2,D} {3,S} +2 C u0 p0 c0 {1,D} {4,S} {5,S} +3 *1 C u2 p0 c0 {1,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +C2H5N-3 +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,D} {7,S} {8,S} +3 N u0 p1 c0 {1,S} {2,D} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4N-4 +multiplicity 2 +1 *1 C u1 p0 c0 {3,S} {6,S} {7,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 N u0 p1 c0 {1,S} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} + +H3NO +1 *1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 O u0 p2 c0 {1,S} {5,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +H2NO +multiplicity 2 +1 O u0 p2 c0 {2,S} {3,S} +2 *1 N u1 p1 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +H3NO-2 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *1 O u0 p2 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {2,S} + +H2NO-2 +multiplicity 2 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *1 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH4N2 +1 *1 N u0 p1 c0 {3,S} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 N u0 p1 c0 {1,S} {2,D} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +CH3N2 +multiplicity 2 +1 N u0 p1 c0 {2,S} {3,D} +2 *1 N u1 p1 c0 {1,S} {6,S} +3 C u0 p0 c0 {1,D} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {2,S} + +C7H11-4 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +5 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} +6 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +7 *3 C u1 p0 c0 {2,S} {6,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} + +C7H12-4 +1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {14,S} {15,S} +4 *3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +5 C u0 p0 c0 {2,S} {4,S} {12,S} {13,S} +6 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +7 C u0 p0 c0 {2,S} {6,S} {18,S} {19,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 *2 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} + +C8H13-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {6,S} {12,S} {13,S} +5 C u0 p0 c0 {3,S} {7,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {8,S} {18,S} {19,S} +7 C u0 p0 c0 {5,S} {8,S} {20,S} {21,S} +8 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} + +C8H14-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {10,S} +3 C u0 p0 c0 {1,S} {7,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {7,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {8,S} {17,S} {18,S} +6 C u0 p0 c0 {2,S} {8,S} {19,S} {20,S} +7 C u0 p0 c0 {3,S} {4,S} {13,S} {14,S} +8 C u0 p0 c0 {5,S} {6,S} {21,S} {22,S} +9 *2 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {8,S} + +C9H15-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {11,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} +5 C u0 p0 c0 {1,S} {8,S} {20,S} {21,S} +6 C u0 p0 c0 {3,S} {7,S} {12,S} {13,S} +7 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} +8 C u0 p0 c0 {5,S} {9,S} {22,S} {23,S} +9 *3 C u1 p0 c0 {2,S} {8,S} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} + +C9H16-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {11,S} +3 *3 C u0 p0 c0 {1,S} {7,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {8,S} {16,S} {17,S} +5 C u0 p0 c0 {2,S} {7,S} {18,S} {19,S} +6 C u0 p0 c0 {2,S} {9,S} {20,S} {21,S} +7 C u0 p0 c0 {3,S} {5,S} {14,S} {15,S} +8 C u0 p0 c0 {4,S} {9,S} {22,S} {23,S} +9 C u0 p0 c0 {6,S} {8,S} {24,S} {25,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 *2 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} + +C9H15-4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +4 C u0 p0 c0 {2,S} {6,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {6,S} {16,S} {17,S} +6 C u0 p0 c0 {4,S} {5,S} {18,S} {19,S} +7 C u0 p0 c0 {1,S} {9,S} {20,S} {21,S} +8 C u0 p0 c0 {2,S} {9,S} {22,S} {23,S} +9 *3 C u1 p0 c0 {7,S} {8,S} {24,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} + +C9H16-4 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {10,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {11,S} +3 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,S} {16,S} {17,S} +5 C u0 p0 c0 {1,S} {8,S} {18,S} {19,S} +6 C u0 p0 c0 {2,S} {9,S} {20,S} {21,S} +7 *3 C u0 p0 c0 {3,S} {4,S} {12,S} {13,S} +8 C u0 p0 c0 {5,S} {9,S} {22,S} {23,S} +9 C u0 p0 c0 {6,S} {8,S} {24,S} {25,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {7,S} +13 *2 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {9,S} + +C7H11-5 +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {6,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +5 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +6 C u0 p0 c0 {2,S} {5,S} {16,S} {17,S} +7 *3 C u1 p0 c0 {1,S} {2,S} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} + +C7H12-5 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} +3 *3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +5 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +6 C u0 p0 c0 {2,S} {4,S} {16,S} {17,S} +7 C u0 p0 c0 {2,S} {5,S} {18,S} {19,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 *2 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} + +C7H11-6 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {7,S} {17,S} {18,S} +5 C u0 p0 c0 {2,S} {7,S} {13,S} {14,S} +6 C u0 p0 c0 {3,S} {7,S} {15,S} {16,S} +7 *3 C u1 p0 c0 {4,S} {5,S} {6,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} + +C7H12-6 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 *3 C u0 p0 c0 {3,S} {6,S} {7,S} {9,S} +3 C u0 p0 c0 {1,S} {2,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +5 C u0 p0 c0 {1,S} {7,S} {14,S} {15,S} +6 C u0 p0 c0 {2,S} {4,S} {16,S} {17,S} +7 C u0 p0 c0 {2,S} {5,S} {18,S} {19,S} +8 H u0 p0 c0 {1,S} +9 *2 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {7,S} + +C5H8-4 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 C u0 p0 c0 {3,D} {12,S} {13,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} + +C5H7-4 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {6,S} +2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 C u0 p0 c0 {3,D} {11,S} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} + +C3H8O-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +4 O u0 p2 c0 {1,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 *2 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} + +C3H7O-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {9,S} {10,S} +4 O u0 p2 c0 {1,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} + +C3H8O-3 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 O u0 p2 c0 {1,S} {12,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} + +C3H7O-3 +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {4,S} +4 O u0 p2 c0 {3,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} + +C5H12O +1 O u0 p2 c0 {4,S} {18,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +4 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +6 C u0 p0 c0 {2,S} {15,S} {16,S} {17,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {1,S} + +C5H11O +multiplicity 2 +1 O u0 p2 c0 {3,S} {17,S} +2 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {2,S} {9,S} {10,S} +4 C u0 p0 c0 {6,S} {11,S} {12,S} {13,S} +5 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} +6 *1 C u1 p0 c0 {2,S} {4,S} {5,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {1,S} + +C2H5O-5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {7,S} +3 O u0 p2 c0 {2,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H6O-5 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 O u0 p2 c0 {1,S} {9,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} + +C3H8O-4 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 O u0 p2 c0 {2,S} {12,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} + +C3H7O-4 +multiplicity 2 +1 O u0 p2 c0 {2,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {4,S} {7,S} {8,S} {9,S} +4 *1 C u1 p0 c0 {2,S} {3,S} {10,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {1,S} + +C4H10O-18 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {6,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 O u0 p2 c0 {3,S} {15,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} + +C4H9O-18 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +4 *1 C u1 p0 c0 {1,S} {3,S} {13,S} +5 O u0 p2 c0 {2,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} + +CH3S-4 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 S u0 p2 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +CH4S-4 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 S u0 p2 c0 {1,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C3H7S +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 S u0 p2 c0 {3,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} + +C3H8S +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 S u0 p2 c0 {1,S} {12,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} + +C2H3S-2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,D} {6,S} +3 S u0 p2 c0 {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2H4S-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,D} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} +7 H u0 p0 c0 {2,S} + +C3H5S-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {7,S} +3 C u0 p0 c0 {2,S} {8,D} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 S u0 p2 c0 {3,D} +9 H u0 p0 c0 {3,S} + +C3H6S-3 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 S u0 p2 c0 {3,D} +10 H u0 p0 c0 {3,S} + +C4H7S +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 C u0 p0 c0 {3,S} {11,D} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 S u0 p2 c0 {4,D} +12 H u0 p0 c0 {4,S} + +C4H8S +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,D} {13,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 S u0 p2 c0 {4,D} +13 H u0 p0 c0 {4,S} + +C2H3S-3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,D} {3,S} +3 S u0 p2 c0 {2,S} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +C2H4S-3 +1 *3 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 S u0 p2 c0 {1,S} {7,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C3H3S +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,D} {6,S} +2 C u0 p0 c0 {3,D} {5,S} {7,S} +3 *3 C u1 p0 c0 {1,S} {2,D} +4 S u0 p2 c0 {1,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} + +C3H4S +1 *3 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 *2 H u0 p0 c0 {1,S} +5 S u0 p2 c0 {3,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C3H5S-4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 *3 C u1 p0 c0 {1,S} {4,S} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 S u0 p2 c0 {2,S} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +C3H6S-4 +1 *3 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 S u0 p2 c0 {1,S} {10,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} + +C4H7S-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {5,S} +3 C u0 p0 c0 {2,S} {4,D} {9,S} +4 C u0 p0 c0 {3,D} {10,S} {11,S} +5 S u0 p2 c0 {2,S} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} + +C4H8S-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {4,D} {10,S} +4 C u0 p0 c0 {3,D} {11,S} {12,S} +5 S u0 p2 c0 {1,S} {13,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} + +C2H3S2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 C u0 p0 c0 {1,S} {5,D} {6,S} +3 S u0 p2 c0 {1,S} {7,S} +4 H u0 p0 c0 {1,S} +5 S u0 p2 c0 {2,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H4S2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,D} {7,S} +3 S u0 p2 c0 {1,S} {8,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C3H5S2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {8,D} {9,S} +4 S u0 p2 c0 {2,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 S u0 p2 c0 {3,D} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} + +C3H6S2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 S u0 p2 c0 {1,S} {11,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 S u0 p2 c0 {3,D} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} + +C3H3S-2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {5,S} +2 C u0 p0 c0 {1,S} {4,T} +3 S u0 p2 c0 {1,S} {6,S} +4 C u0 p0 c0 {2,T} {7,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C3H4S-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,T} +3 S u0 p2 c0 {1,S} {7,S} +4 C u0 p0 c0 {2,T} {8,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +C4H5S +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {5,T} +4 S u0 p2 c0 {2,S} {9,S} +5 C u0 p0 c0 {3,T} {10,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} + +C4H6S +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,T} +4 S u0 p2 c0 {1,S} {10,S} +5 C u0 p0 c0 {3,T} {11,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C7H7S +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {6,B} {9,S} +5 C u0 p0 c0 {3,B} {6,B} {10,S} +6 C u0 p0 c0 {4,B} {5,B} {12,S} +7 *3 C u1 p0 c0 {1,S} {8,S} {14,S} +8 S u0 p2 c0 {7,S} {15,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} + +C7H8S +1 *3 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {3,B} {7,B} {13,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {5,B} {6,B} {15,S} +8 S u0 p2 c0 {1,S} {16,S} +9 H u0 p0 c0 {1,S} +10 *2 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} + +C8H9S +multiplicity 2 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {4,B} {5,B} +3 *3 C u1 p0 c0 {1,S} {2,S} {9,S} +4 C u0 p0 c0 {2,B} {7,B} {13,S} +5 C u0 p0 c0 {2,B} {6,B} {16,S} +6 C u0 p0 c0 {5,B} {8,B} {14,S} +7 C u0 p0 c0 {4,B} {8,B} {15,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 S u0 p2 c0 {3,S} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} + +C8H10S +1 *3 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 S u0 p2 c0 {1,S} {19,S} +10 *2 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} + +C2H3S-4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,D} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} + +C2H4S-4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u0 p0 c0 {1,S} {6,D} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} +7 *2 H u0 p0 c0 {2,S} + +CHS2 +multiplicity 2 +1 S u0 p2 c0 {2,S} {4,S} +2 *3 C u1 p0 c0 {1,S} {3,D} +3 S u0 p2 c0 {2,D} +4 H u0 p0 c0 {1,S} + +CH2S2 +1 *3 C u0 p0 c0 {2,S} {3,D} {4,S} +2 S u0 p2 c0 {1,S} {5,S} +3 S u0 p2 c0 {1,D} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C3H3S-3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *3 C u1 p0 c0 {1,S} {7,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 S u0 p2 c0 {3,D} + +C3H4S-3 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 *3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 H u0 p0 c0 {1,S} +5 S u0 p2 c0 {3,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {3,S} + +C3HS +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,T} +2 *3 C u1 p0 c0 {1,S} {4,D} +3 C u0 p0 c0 {1,T} {5,S} +4 S u0 p2 c0 {2,D} +5 H u0 p0 c0 {3,S} + +C3H2S +1 *3 C u0 p0 c0 {2,S} {4,D} {5,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {6,S} +4 S u0 p2 c0 {1,D} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +C6H10-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 C u0 p0 c0 {4,D} {15,S} {16,S} +7 *2 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {6,S} + +C6H9-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 C u0 p0 c0 {3,D} {12,S} {13,S} +6 C u0 p0 c0 {4,D} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C5H4-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,T} +3 C u0 p0 c0 {1,S} {5,T} +4 C u0 p0 c0 {2,T} {8,S} +5 C u0 p0 c0 {3,T} {9,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} + +C5H3-2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {6,S} +2 C u0 p0 c0 {1,S} {4,T} +3 C u0 p0 c0 {1,S} {5,T} +4 C u0 p0 c0 {2,T} {7,S} +5 C u0 p0 c0 {3,T} {8,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} + +C6H6-4 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,T} +4 C u0 p0 c0 {1,S} {6,T} +5 C u0 p0 c0 {3,T} {11,S} +6 C u0 p0 c0 {4,T} {12,S} +7 *2 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} + +C6H5-4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {5,T} +4 C u0 p0 c0 {2,S} {6,T} +5 C u0 p0 c0 {3,T} {10,S} +6 C u0 p0 c0 {4,T} {11,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} + +C2H6S-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 S u0 p2 c0 {1,S} {9,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} + +C2H5S-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {7,S} +3 S u0 p2 c0 {2,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C3H8S-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 S u0 p2 c0 {1,S} {12,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} + +C3H7S-2 +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {4,S} +4 S u0 p2 c0 {3,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} + +C2H4S-5 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,D} {7,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} +7 H u0 p0 c0 {2,S} + +C2H3S-5 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 S u0 p2 c0 {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} + +C4H8S-3 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {1,S} {12,D} {13,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 S u0 p2 c0 {4,D} +13 H u0 p0 c0 {4,S} + +C4H7S-3 +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {3,S} {8,S} {9,S} {10,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {4,S} +4 C u0 p0 c0 {3,S} {11,D} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 S u0 p2 c0 {4,D} +12 H u0 p0 c0 {4,S} + +C2H4S-6 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 S u0 p2 c0 {1,S} {7,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H3S-6 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,D} {3,S} +3 S u0 p2 c0 {2,S} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +C3H4S-4 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 *2 H u0 p0 c0 {1,S} +5 S u0 p2 c0 {3,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C3H3S-4 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,D} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 *1 C u1 p0 c0 {1,S} {2,D} +4 S u0 p2 c0 {1,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C3H6S2-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 S u0 p2 c0 {1,S} {11,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 S u0 p2 c0 {3,D} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} + +C3H5S2-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {8,D} {9,S} +4 S u0 p2 c0 {2,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 S u0 p2 c0 {3,D} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} + +C2H4S2-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,D} {7,S} +3 S u0 p2 c0 {1,S} {8,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 S u0 p2 c0 {2,D} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H3S2-2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 C u0 p0 c0 {1,S} {5,D} {6,S} +3 S u0 p2 c0 {1,S} {7,S} +4 H u0 p0 c0 {1,S} +5 S u0 p2 c0 {2,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C3H4S-5 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,T} +3 S u0 p2 c0 {1,S} {7,S} +4 C u0 p0 c0 {2,T} {8,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} + +C3H3S-5 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {5,S} +2 C u0 p0 c0 {1,S} {4,T} +3 S u0 p2 c0 {1,S} {6,S} +4 C u0 p0 c0 {2,T} {7,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C4H6S-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,T} +4 S u0 p2 c0 {1,S} {10,S} +5 C u0 p0 c0 {3,T} {11,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C4H5S-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 *1 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {5,T} +4 S u0 p2 c0 {2,S} {9,S} +5 C u0 p0 c0 {3,T} {10,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} + +C7H8S-2 +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {3,B} {7,B} {13,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {5,B} {6,B} {15,S} +8 S u0 p2 c0 {1,S} {16,S} +9 *2 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} + +C7H7S-2 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} +3 C u0 p0 c0 {1,B} {5,B} {10,S} +4 C u0 p0 c0 {2,B} {6,B} {11,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {4,B} {5,B} {13,S} +7 *1 C u1 p0 c0 {1,S} {8,S} {14,S} +8 S u0 p2 c0 {7,S} {15,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} + +C8H10S-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 S u0 p2 c0 {1,S} {19,S} +10 *2 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} + +C8H9S-2 +multiplicity 2 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {4,B} {5,B} +3 *1 C u1 p0 c0 {1,S} {2,S} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 S u0 p2 c0 {3,S} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} + +CH2S2-2 +1 *1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 S u0 p2 c0 {1,S} {5,S} +3 S u0 p2 c0 {1,D} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +CHS2-2 +multiplicity 2 +1 S u0 p2 c0 {2,S} {4,S} +2 *1 C u1 p0 c0 {1,S} {3,D} +3 S u0 p2 c0 {2,D} +4 H u0 p0 c0 {1,S} + +C3H4S-6 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,S} {5,D} {8,S} +4 H u0 p0 c0 {1,S} +5 S u0 p2 c0 {3,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {3,S} + +C3H3S-6 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *1 C u1 p0 c0 {1,S} {7,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 S u0 p2 c0 {3,D} + +C3H2S-2 +1 *1 C u0 p0 c0 {2,S} {4,D} {5,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {6,S} +4 S u0 p2 c0 {1,D} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} + +C3HS-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,T} +2 *1 C u1 p0 c0 {1,S} {4,D} +3 C u0 p0 c0 {1,T} {5,S} +4 S u0 p2 c0 {2,D} +5 H u0 p0 c0 {3,S} + +C2H4S-7 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *1 S u0 p2 c0 {1,S} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 *2 H u0 p0 c0 {3,S} + +C2H3S-7 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *1 S u1 p2 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +CH2S2-3 +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *1 S u0 p2 c0 {1,S} {5,S} +3 S u0 p2 c0 {1,D} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {2,S} + +CHS2-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *1 S u1 p2 c0 {1,S} +3 S u0 p2 c0 {1,D} +4 H u0 p0 c0 {1,S} + +C2H2S +1 C u0 p0 c0 {2,S} {3,T} +2 *1 S u0 p2 c0 {1,S} {4,S} +3 C u0 p0 c0 {1,T} {5,S} +4 *2 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} + +C2HS +multiplicity 2 +1 C u0 p0 c0 {2,T} {4,S} +2 C u0 p0 c0 {1,T} {3,S} +3 *1 S u1 p2 c0 {2,S} +4 H u0 p0 c0 {1,S} + +C6H6S +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {9,S} +5 C u0 p0 c0 {3,B} {6,B} {10,S} +6 C u0 p0 c0 {4,B} {5,B} {12,S} +7 *1 S u0 p2 c0 {1,S} {13,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {6,S} +13 *2 H u0 p0 c0 {7,S} + +C6H5S +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {9,S} +5 C u0 p0 c0 {3,B} {6,B} {10,S} +6 C u0 p0 c0 {4,B} {5,B} {12,S} +7 *1 S u1 p2 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {6,S} + +C2H3S-8 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *3 S u1 p2 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +C2H4S-8 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *3 S u0 p2 c0 {1,S} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 *2 H u0 p0 c0 {3,S} + +C2HS-2 +multiplicity 2 +1 C u0 p0 c0 {2,T} {4,S} +2 C u0 p0 c0 {1,T} {3,S} +3 *3 S u1 p2 c0 {2,S} +4 H u0 p0 c0 {1,S} + +C2H2S-2 +1 C u0 p0 c0 {2,S} {3,T} +2 *3 S u0 p2 c0 {1,S} {5,S} +3 C u0 p0 c0 {1,T} {4,S} +4 H u0 p0 c0 {3,S} +5 *2 H u0 p0 c0 {2,S} + +C6H5S-2 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {9,S} +5 C u0 p0 c0 {3,B} {6,B} {10,S} +6 C u0 p0 c0 {4,B} {5,B} {12,S} +7 *3 S u1 p2 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {6,S} + +C6H6S-2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {5,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {12,S} +4 C u0 p0 c0 {5,B} {6,B} {8,S} +5 C u0 p0 c0 {2,B} {4,B} {9,S} +6 C u0 p0 c0 {3,B} {4,B} {10,S} +7 *3 S u0 p2 c0 {1,S} {13,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 *2 H u0 p0 c0 {7,S} + +C4H7O-7 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {10,S} +4 C u0 p0 c0 {1,S} {11,D} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 O u0 p2 c0 {4,D} +12 H u0 p0 c0 {4,S} + +C4H8O-7 +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,D} {13,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 O u0 p2 c0 {4,D} +13 H u0 p0 c0 {4,S} + +NO3-2 +multiplicity 2 +1 N u0 p0 c+1 {2,S} {3,S} {4,D} +2 *3 O u1 p2 c0 {1,S} +3 O u0 p3 c-1 {1,S} +4 O u0 p2 c0 {1,D} + +HNO3-2 +1 N u0 p0 c+1 {2,S} {3,S} {4,D} +2 *3 O u0 p2 c0 {1,S} {5,S} +3 O u0 p3 c-1 {1,S} +4 O u0 p2 c0 {1,D} +5 *2 H u0 p0 c0 {2,S} + +HNO2-3 +1 *1 N u0 p0 c+1 {2,S} {3,D} {4,S} +2 O u0 p3 c-1 {1,S} +3 O u0 p2 c0 {1,D} +4 *2 H u0 p0 c0 {1,S} + +NO2-3 +multiplicity 2 +1 *1 N u1 p0 c+1 {2,S} {3,D} +2 O u0 p3 c-1 {1,S} +3 O u0 p2 c0 {1,D} + +H3N2-2 +multiplicity 2 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *1 N u1 p1 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {2,S} + +H2N2-2 +multiplicity 3 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *1 N u2 p1 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +H2N2-3 +multiplicity 3 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *3 N u2 p1 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +H3N2-3 +multiplicity 2 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *3 N u1 p1 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {2,S} + +H3N2-4 +multiplicity 2 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *3 N u1 p1 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +H4N2-2 +1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 *3 N u0 p1 c0 {1,S} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 *2 H u0 p0 c0 {2,S} + +H2N2-4 +multiplicity 3 +1 *3 N u1 p1 c0 {2,S} {3,S} +2 N u1 p1 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +H3N2-5 +multiplicity 2 +1 *3 N u0 p1 c0 {2,S} {3,S} {4,S} +2 N u1 p1 c0 {1,S} {5,S} +3 H u0 p0 c0 {1,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +H3N2-6 +multiplicity 2 +1 *1 N u0 p1 c0 {2,S} {3,S} {4,S} +2 N u1 p1 c0 {1,S} {5,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +H2N2-5 +multiplicity 3 +1 N u1 p1 c0 {2,S} {3,S} +2 *1 N u1 p1 c0 {1,S} {4,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {2,S} + +C2H6S-3 +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 S u0 p2 c0 {1,S} {2,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} + +C2H5S-3 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 *1 C u1 p0 c0 {3,S} {7,S} {8,S} +3 S u0 p2 c0 {1,S} {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H6OS-2 +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 S u0 p1 c0 {1,S} {2,S} {10,D} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 O u0 p2 c0 {3,D} + +C2H5OS-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 S u0 p1 c0 {1,S} {3,S} {7,D} +3 *1 C u1 p0 c0 {2,S} {8,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 O u0 p2 c0 {2,D} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C2H6O2S +1 S u0 p0 c0 {2,S} {3,S} {4,D} {5,D} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 O u0 p2 c0 {1,D} +5 O u0 p2 c0 {1,D} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C2H5O2S +multiplicity 2 +1 S u0 p0 c0 {2,S} {3,S} {4,D} {5,D} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {9,S} {10,S} +4 O u0 p2 c0 {1,D} +5 O u0 p2 c0 {1,D} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} + +I +multiplicity 2 +1 *3 I u1 p3 c0 + +HI +1 *3 I u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +HI-2 +1 *1 I u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +I-2 +multiplicity 2 +1 *1 I u1 p3 c0 + +C5H12-3 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} + +C5H11-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +5 *1 C u1 p0 c0 {2,S} {4,S} {16,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} + +C5H12-4 +1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {5,S} + +C5H11-4 +multiplicity 2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +5 *1 C u1 p0 c0 {1,S} {2,S} {16,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} -NH2_r12 +C6H5-5 multiplicity 2 -1 *1 N u1 p1 c0 {2,S} {3,S} -2 *2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 *1 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 C u1 p0 c0 {4,B} {5,B} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} -NH_p1 +C6H4 multiplicity 3 -1 *1 N u2 p1 c0 {2,S} -2 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {5,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {9,S} +4 C u0 p0 c0 {5,B} {6,B} {10,S} +5 *1 C u1 p0 c0 {2,B} {4,B} +6 C u1 p0 c0 {3,B} {4,B} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} -CH2_p1 -multiplicity 3 -1 *1 C u2 p0 c0 {2,S} {3,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} +C6H5-6 +multiplicity 2 +1 *1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 C u1 p0 c0 {4,B} {5,B} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} -HN +C6H4-2 multiplicity 3 -1 *1 N u2 p1 c0 {2,S} +1 C u0 p0 c0 {3,B} {5,B} {7,S} +2 C u0 p0 c0 {4,B} {5,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 *1 C u1 p0 c0 {1,B} {2,B} +6 C u1 p0 c0 {3,B} {4,B} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} + +F +multiplicity 2 +1 *3 F u1 p3 c0 + +FH +1 *3 F u0 p3 c0 {2,S} 2 *2 H u0 p0 c0 {1,S} -H2N2 -1 *1 N u0 p1 c0 {2,D} {3,S} -2 N u0 p1 c0 {1,D} {4,S} +CH3F +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} 3 *2 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} -HN2 +CH2F multiplicity 2 -1 N u0 p1 c0 {2,D} {3,S} -2 *3 N u1 p1 c0 {1,D} +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} 3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2F2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} -N2H3_r12 +CHF2 multiplicity 2 -1 N u0 p1 c0 {2,S} {3,S} {4,S} -2 *1 N u1 p1 c0 {1,S} {5,S} -3 H u0 p0 c0 {1,S} +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 *2 H u0 p0 c0 {2,S} -H2NN(S)_p23 -1 *3 N u0 p0 c+1 {2,D} {3,S} {4,S} -2 N u0 p2 c-1 {1,D} -3 *2 H u0 p0 c0 {1,S} +CHF2-2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2F2-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} 4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +C2H3F3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} -N2H3_r3 +CH2F-2 multiplicity 2 -1 N u0 p1 c0 {2,S} {3,S} {4,S} -2 *3 N u1 p1 c0 {1,S} {5,S} +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} - -CH3NO -1 *1 O u0 p2 c0 {2,S} {6,S} -2 N u0 p1 c0 {1,S} {3,D} -3 C u0 p0 c0 {2,D} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 *2 H u0 p0 c0 {1,S} -CH2NO +C2H2F3 multiplicity 2 -1 *3 O u1 p2 c0 {2,S} -2 N u0 p1 c0 {1,S} {3,D} -3 C u0 p0 c0 {2,D} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} -CN +CH3F-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +CF3-2 multiplicity 2 -1 N u0 p1 c0 {2,T} -2 *3 C u1 p0 c0 {1,T} +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} -CH3N -1 *1 N u0 p1 c0 {2,D} {5,S} -2 C u0 p0 c0 {1,D} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +CHF3-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} 5 *2 H u0 p0 c0 {1,S} -CH2N +C2H4F-3 multiplicity 2 -1 *3 N u1 p1 c0 {2,D} -2 C u0 p0 c0 {1,D} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} -CH3N-2 -1 N u0 p1 c0 {2,D} {5,S} -2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} -3 *2 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} +C2H5F-3 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 F u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} -CH2N-2 +C2H3F2-4 multiplicity 2 -1 N u0 p1 c0 {2,D} {3,S} -2 *3 C u1 p0 c0 {1,D} {4,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} 3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} -CH5N -1 N u0 p1 c0 {2,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 *2 H u0 p0 c0 {2,S} +C2H4F2-4 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +3 F u0 p3 c0 {2,S} +4 F u0 p3 c0 {2,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} +8 *2 H u0 p0 c0 {2,S} -CH4N +C2H4F-4 multiplicity 2 -1 N u0 p1 c0 {2,S} {3,S} {4,S} -2 *3 C u1 p0 c0 {1,S} {5,S} {6,S} -3 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} -CH5N-2 -1 *1 N u0 p1 c0 {2,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *2 H u0 p0 c0 {1,S} +C2H5F-4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} + +C2H2F3-4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H3F3-4 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {5,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 *2 H u0 p0 c0 {2,S} + +C2H3F2-6 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H4F2-6 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} + +C2H2F3-5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3F3-5 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} + +C2H2F3-6 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3F3-6 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} + +C2H5F +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 F u0 p3 c0 {2,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4F +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H4F2 +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +3 F u0 p3 c0 {2,S} +4 F u0 p3 c0 {2,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H3F2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H5F-2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 F u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4F-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} -CH4N-2 -multiplicity 2 -1 *3 N u1 p1 c0 {2,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +C2H4F2-3 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 *2 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} -CNO +C2H3F2-3 multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *3 N u1 p1 c0 {3,D} -3 C u0 p0 c0 {1,D} {2,D} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} -C2H4N +C2H3F3-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H2F3-2 multiplicity 2 -1 N u0 p1 c0 {2,S} {3,D} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} 2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} -3 C u0 p0 c0 {1,D} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 *2 H u0 p0 c0 {2,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} 7 H u0 p0 c0 {2,S} -C2H3N -multiplicity 3 -1 N u0 p1 c0 {2,D} {3,S} -2 C u0 p0 c0 {1,D} {4,S} {5,S} -3 *3 C u2 p0 c0 {1,S} {6,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} - -C2H5N -1 N u0 p1 c0 {2,S} {3,D} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 H u0 p0 c0 {2,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +C2H2F4 +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 *2 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} -C2H4N-2 +C2HF4 multiplicity 2 -1 N u0 p1 c0 {2,S} {3,D} -2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} -3 C u0 p0 c0 {1,D} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} 7 H u0 p0 c0 {2,S} -H3NO -1 O u0 p2 c0 {2,S} {5,S} -2 *1 N u0 p1 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 *2 H u0 p0 c0 {2,S} +C2H4F2-2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +3 F u0 p3 c0 {2,S} +4 F u0 p3 c0 {2,S} 5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 *2 H u0 p0 c0 {2,S} -H2NO +C2H3F2-2 multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 *3 N u1 p1 c0 {1,S} {4,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} 3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} - -H3NO-2 -1 *1 O u0 p2 c0 {2,S} {5,S} -2 N u0 p1 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H3F3-3 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 *2 H u0 p0 c0 {2,S} -H2NO-2 +C2H2F3-3 multiplicity 2 -1 *3 O u1 p2 c0 {2,S} -2 N u0 p1 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} - -CH4N2 -1 *1 N u0 p1 c0 {2,S} {4,S} {5,S} -2 N u0 p1 c0 {1,S} {3,D} -3 C u0 p0 c0 {2,D} {6,S} {7,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} 4 H u0 p0 c0 {1,S} -5 *2 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H2F4-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 *2 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} -CH3N2 +C2HF4-2 multiplicity 2 -1 N u0 p1 c0 {2,S} {3,D} -2 *3 N u1 p1 c0 {1,S} {6,S} -3 C u0 p0 c0 {1,D} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2HF5 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 *2 H u0 p0 c0 {1,S} -C3H8O-2 -1 O u0 p2 c0 {2,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -4 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {4,S} -7 *2 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {1,S} +C2F5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} -C3H7O-2 +C2HF3O +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,D} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 O u0 p2 c0 {2,D} +7 *2 H u0 p0 c0 {2,S} + +C2F3O multiplicity 2 -1 O u0 p2 c0 {2,S} {11,S} -2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 *3 C u1 p0 c0 {2,S} {9,S} {10,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,D} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 O u0 p2 c0 {2,D} -C3H8O-3 -1 O u0 p2 c0 {2,S} {12,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {1,S} +C3H3F3 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} -C3H7O-3 +C3H2F3 multiplicity 2 -1 O u0 p2 c0 {4,S} {11,S} -2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,D} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {2,D} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} -C5H12O -1 O u0 p2 c0 {4,S} {18,S} -2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -4 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -5 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -6 C u0 p0 c0 {2,S} {15,S} {16,S} {17,S} -7 *2 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {1,S} +C3H2F4 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 F u0 p3 c0 {3,S} +9 *2 H u0 p0 c0 {3,S} -C5H11O +C3HF4 multiplicity 2 -1 O u0 p2 c0 {3,S} {17,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {2,S} {9,S} {10,S} -4 C u0 p0 c0 {6,S} {11,S} {12,S} {13,S} -5 C u0 p0 c0 {6,S} {14,S} {15,S} {16,S} -6 *3 C u1 p0 c0 {2,S} {4,S} {5,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u1 p0 c0 {2,D} {8,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 F u0 p3 c0 {3,S} -C3H8O-4 -1 O u0 p2 c0 {3,S} {12,S} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {1,S} +C3H2F4-2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 *2 H u0 p0 c0 {2,S} +8 F u0 p3 c0 {3,S} +9 H u0 p0 c0 {3,S} -C3H7O-4 +C3HF4-2 multiplicity 2 -1 O u0 p2 c0 {2,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {4,S} {7,S} {8,S} {9,S} -4 *3 C u1 p0 c0 {2,S} {3,S} {10,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,D} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {2,D} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {2,S} -CH3S-2 +C3H2F4-3 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 *2 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3HF4-3 multiplicity 2 -1 S u0 p2 c0 {2,S} {5,S} -2 *3 C u1 p0 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u1 p0 c0 {2,D} {8,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {3,S} -C3H7S +C2H2O +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,D} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 O u0 p2 c0 {2,D} + +C2HO multiplicity 2 -1 S u0 p2 c0 {4,S} {11,S} -2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {1,S} +1 *1 C u1 p0 c0 {2,D} {4,S} +2 C u0 p0 c0 {1,D} {3,D} +3 O u0 p2 c0 {2,D} +4 H u0 p0 c0 {1,S} -C3H8S -1 S u0 p2 c0 {2,S} {12,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} -4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {1,S} +C3H3F3-2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 *2 H u0 p0 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} -C2H3S-2 +C3H2F3-2 multiplicity 2 -1 S u0 p2 c0 {3,D} -2 *3 C u1 p0 c0 {3,S} {4,S} {5,S} -3 C u0 p0 c0 {1,D} {2,S} {6,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *1 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} -C2H4S-2 -1 S u0 p2 c0 {3,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {2,S} {7,S} -4 *2 H u0 p0 c0 {2,S} +C3H3F +1 F u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} +3 C u0 p0 c0 {2,S} {4,T} +4 *1 C u0 p0 c0 {3,T} {7,S} 5 H u0 p0 c0 {2,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} +7 *2 H u0 p0 c0 {4,S} -C4H7S +C3H2F multiplicity 2 -1 S u0 p2 c0 {5,D} -2 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -4 *3 C u1 p0 c0 {2,S} {3,S} {5,S} -5 C u0 p0 c0 {1,D} {4,S} {12,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} +3 C u0 p0 c0 {2,S} {4,T} +4 *1 C u1 p0 c0 {3,T} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} -C4H8S -1 S u0 p2 c0 {5,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 C u0 p0 c0 {1,D} {2,S} {13,S} -6 *2 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} +C2H2F4O +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *1 O u0 p2 c0 {6,S} {9,S} +6 C u0 p0 c0 {1,S} {2,S} {5,S} {7,S} +7 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +8 H u0 p0 c0 {7,S} +9 *2 H u0 p0 c0 {5,S} + +C2HF4O +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *1 O u1 p2 c0 {6,S} +6 C u0 p0 c0 {1,S} {2,S} {5,S} {7,S} +7 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +8 H u0 p0 c0 {7,S} + +C2H3F3O +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 *1 O u0 p2 c0 {5,S} {9,S} +5 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} +9 *2 H u0 p0 c0 {4,S} -C2H3S-3 +C2H2F3O multiplicity 2 -1 S u0 p2 c0 {3,S} {6,S} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *3 C u1 p0 c0 {1,S} {2,D} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {1,S} +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 *1 O u1 p2 c0 {5,S} +5 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} -C2H4S-3 -1 S u0 p2 c0 {2,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {3,D} {4,S} -3 C u0 p0 c0 {2,D} {5,S} {6,S} -4 *2 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {1,S} +C3H3F3-3 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 F u0 p3 c0 {3,S} +9 H u0 p0 c0 {3,S} -C3H3S +C3H2F3-3 multiplicity 2 -1 S u0 p2 c0 {2,D} -2 C u0 p0 c0 {1,D} {4,S} {6,S} -3 C u0 p0 c0 {4,D} {5,S} {7,S} -4 *3 C u1 p0 c0 {2,S} {3,D} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {8,S} +3 C u0 p0 c0 {1,D} {5,S} {7,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {3,S} +6 F u0 p3 c0 {2,S} 7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {2,S} -C3H4S -1 S u0 p2 c0 {4,D} -2 *1 C u0 p0 c0 {3,D} {4,S} {5,S} -3 C u0 p0 c0 {2,D} {6,S} {7,S} -4 C u0 p0 c0 {1,D} {2,S} {8,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {4,S} +CH3FO2 +1 F u0 p3 c0 {4,S} +2 O u0 p2 c0 {3,S} {4,S} +3 *1 O u0 p2 c0 {2,S} {7,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 *2 H u0 p0 c0 {3,S} -C4H7S-2 +CH2FO2 multiplicity 2 -1 S u0 p2 c0 {3,S} {12,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} -3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} -4 C u0 p0 c0 {3,S} {5,D} {9,S} -5 C u0 p0 c0 {4,D} {10,S} {11,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} +1 F u0 p3 c0 {4,S} +2 O u0 p2 c0 {3,S} {4,S} +3 *1 O u1 p2 c0 {2,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} + +C3H5F3 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 *1 C u0 p0 c0 {5,S} {6,S} {7,S} {8,S} +5 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} +7 *2 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {5,S} 10 H u0 p0 c0 {5,S} 11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {1,S} -C4H8S-2 -1 S u0 p2 c0 {2,S} {13,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {5,D} {10,S} -5 C u0 p0 c0 {4,D} {11,S} {12,S} -6 *2 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {1,S} +C3H4F3 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 C u0 p0 c0 {6,S} {7,S} {8,S} {9,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u1 p0 c0 {4,S} {5,S} {10,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {6,S} -C2H3S2 +CH2F2O +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *1 O u0 p2 c0 {4,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} +6 *2 H u0 p0 c0 {3,S} + +CHF2O multiplicity 2 -1 S u0 p2 c0 {3,S} {7,S} -2 S u0 p2 c0 {4,D} -3 *3 C u1 p0 c0 {1,S} {4,S} {5,S} -4 C u0 p0 c0 {2,D} {3,S} {6,S} -5 H u0 p0 c0 {3,S} +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *1 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} + +C3H3F3-4 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 F u0 p3 c0 {3,S} +9 F u0 p3 c0 {3,S} + +C3H2F3-4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *1 C u1 p0 c0 {1,S} {7,S} {8,S} +3 C u0 p0 c0 {1,D} {5,S} {6,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {3,S} +6 F u0 p3 c0 {3,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +FHO +1 F u0 p3 c0 {2,S} +2 *1 O u0 p2 c0 {1,S} {3,S} +3 *2 H u0 p0 c0 {2,S} + +FO +multiplicity 2 +1 F u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +C2H4F2O +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 *1 O u0 p2 c0 {4,S} {9,S} +4 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {2,S} {4,S} {8,S} 6 H u0 p0 c0 {4,S} -7 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {5,S} +9 *2 H u0 p0 c0 {3,S} -C2H4S2 -1 S u0 p2 c0 {3,S} {8,S} -2 S u0 p2 c0 {4,D} -3 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {2,D} {3,S} {7,S} -5 *2 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} +C2H3F2O +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 *1 O u1 p2 c0 {4,S} +4 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +5 C u0 p0 c0 {1,S} {2,S} {4,S} {8,S} +6 H u0 p0 c0 {4,S} 7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {5,S} -C3H5S2 +CH2F2O2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,S} {5,S} +4 O u0 p2 c0 {2,S} {3,S} +5 *1 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} +6 *2 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} + +CHF2O2 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,S} {5,S} +4 O u0 p2 c0 {2,S} {3,S} +5 *1 C u1 p0 c0 {1,S} {3,S} {6,S} +6 H u0 p0 c0 {5,S} + +C3H6F2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {5,S} +3 *1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} +5 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +6 *2 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {5,S} + +C3H5F2 multiplicity 2 -1 S u0 p2 c0 {4,S} {10,S} -2 S u0 p2 c0 {5,D} -3 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} -4 *3 C u1 p0 c0 {1,S} {3,S} {5,S} -5 C u0 p0 c0 {2,D} {4,S} {9,S} +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +5 *1 C u1 p0 c0 {3,S} {4,S} {10,S} 6 H u0 p0 c0 {3,S} 7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {1,S} - -C3H6S2 -1 S u0 p2 c0 {3,S} {11,S} -2 S u0 p2 c0 {5,D} -3 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -4 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} -5 C u0 p0 c0 {2,D} {3,S} {10,S} -6 *2 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} 8 H u0 p0 c0 {4,S} 9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {1,S} -C3H3S-2 +CH2F2O-2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,S} {6,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *2 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {3,S} + +CHF2O-2 multiplicity 2 -1 S u0 p2 c0 {2,S} {6,S} -2 *3 C u1 p0 c0 {1,S} {3,S} {5,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {7,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {4,S} +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,S} {5,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} -C3H4S-2 -1 S u0 p2 c0 {2,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {8,S} +C3H2F6 +1 F u0 p3 c0 {8,S} +2 F u0 p3 c0 {8,S} +3 F u0 p3 c0 {8,S} +4 F u0 p3 c0 {9,S} +5 F u0 p3 c0 {9,S} +6 F u0 p3 c0 {9,S} +7 *1 C u0 p0 c0 {8,S} {9,S} {10,S} {11,S} +8 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +9 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +10 *2 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {7,S} + +C3HF6 +multiplicity 2 +1 F u0 p3 c0 {7,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {8,S} +5 F u0 p3 c0 {8,S} +6 F u0 p3 c0 {8,S} +7 C u0 p0 c0 {1,S} {2,S} {3,S} {9,S} +8 C u0 p0 c0 {4,S} {5,S} {6,S} {9,S} +9 *1 C u1 p0 c0 {7,S} {8,S} {10,S} +10 H u0 p0 c0 {9,S} + +C3H5F +1 F u0 p3 c0 {4,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 C u0 p0 c0 {2,S} {4,D} {8,S} +4 C u0 p0 c0 {1,S} {3,D} {9,S} 5 *2 H u0 p0 c0 {2,S} 6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} -C4H5S +C3H4F multiplicity 2 -1 S u0 p2 c0 {3,S} {9,S} -2 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} -3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} -4 C u0 p0 c0 {3,S} {5,T} -5 C u0 p0 c0 {4,T} {10,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {4,S} +2 C u0 p0 c0 {3,S} {4,D} {5,S} +3 *1 C u1 p0 c0 {2,S} {7,S} {8,S} +4 C u0 p0 c0 {1,S} {2,D} {6,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} -C4H6S -1 S u0 p2 c0 {2,S} {10,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {6,S} -3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {5,T} -5 C u0 p0 c0 {4,T} {11,S} -6 *2 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {5,S} +C2H2F2O +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 *1 C u0 p0 c0 {3,D} {4,S} {7,S} +6 H u0 p0 c0 {4,S} +7 *2 H u0 p0 c0 {5,S} -C7H7S +C2HF2O multiplicity 2 -1 S u0 p2 c0 {8,S} {15,S} -2 C u0 p0 c0 {3,B} {4,B} {8,S} -3 C u0 p0 c0 {2,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {3,B} {7,B} {9,S} -6 C u0 p0 c0 {4,B} {7,B} {10,S} -7 C u0 p0 c0 {5,B} {6,B} {12,S} -8 *3 C u1 p0 c0 {1,S} {2,S} {14,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {6,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {7,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {1,S} +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {5,D} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 *1 C u1 p0 c0 {3,D} {4,S} +6 H u0 p0 c0 {4,S} -C7H8S -1 S u0 p2 c0 {2,S} {16,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} -3 C u0 p0 c0 {2,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {11,S} -5 C u0 p0 c0 {3,B} {7,B} {12,S} -6 C u0 p0 c0 {4,B} {8,B} {13,S} -7 C u0 p0 c0 {5,B} {8,B} {14,S} -8 C u0 p0 c0 {6,B} {7,B} {15,S} -9 *2 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {1,S} +C2H4F2O-2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,S} {9,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *1 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +6 *2 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {3,S} -C8H9S +C2H3F2O-2 multiplicity 2 -1 S u0 p2 c0 {4,S} {18,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {4,S} {5,B} {6,B} -4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} -5 C u0 p0 c0 {3,B} {8,B} {13,S} -6 C u0 p0 c0 {3,B} {7,B} {16,S} -7 C u0 p0 c0 {6,B} {9,B} {14,S} -8 C u0 p0 c0 {5,B} {9,B} {15,S} -9 C u0 p0 c0 {7,B} {8,B} {17,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {1,S} +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,S} {8,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *1 C u1 p0 c0 {4,S} {6,S} {7,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {3,S} -C8H10S -1 S u0 p2 c0 {2,S} {19,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {10,S} -3 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {2,S} {5,B} {6,B} -5 C u0 p0 c0 {4,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {9,B} {16,S} -8 C u0 p0 c0 {6,B} {9,B} {17,S} -9 C u0 p0 c0 {7,B} {8,B} {18,S} -10 *2 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {1,S} +C2H2F2 +1 *1 C u0 p0 c0 {2,D} {5,S} {6,S} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 F u0 p3 c0 {2,S} +4 F u0 p3 c0 {2,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} -CHS2 +C2HF2 multiplicity 2 -1 S u0 p2 c0 {3,S} {4,S} -2 S u0 p2 c0 {3,D} -3 *3 C u1 p0 c0 {1,S} {2,D} -4 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 C u1 p0 c0 {1,D} {5,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {2,S} -CH2S2 -1 S u0 p2 c0 {3,S} {5,S} -2 S u0 p2 c0 {3,D} -3 *1 C u0 p0 c0 {1,S} {2,D} {4,S} -4 *2 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {1,S} +C2H2F4O-2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 O u0 p2 c0 {6,S} {9,S} +6 C u0 p0 c0 {1,S} {2,S} {5,S} {7,S} +7 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +8 *2 H u0 p0 c0 {7,S} +9 H u0 p0 c0 {5,S} -C3H3S-3 +C2HF4O-2 multiplicity 2 -1 S u0 p2 c0 {4,D} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 C u0 p0 c0 {2,D} {6,S} {7,S} -4 *3 C u1 p0 c0 {1,D} {2,S} -5 H u0 p0 c0 {2,S} +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 O u0 p2 c0 {6,S} {8,S} +6 C u0 p0 c0 {1,S} {2,S} {5,S} {7,S} +7 *1 C u1 p0 c0 {3,S} {4,S} {6,S} +8 H u0 p0 c0 {5,S} + +C2H3FO +1 F u0 p3 c0 {4,S} +2 O u0 p2 c0 {4,D} +3 *1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 *2 H u0 p0 c0 {3,S} 6 H u0 p0 c0 {3,S} 7 H u0 p0 c0 {3,S} -C3H4S-3 -1 S u0 p2 c0 {4,D} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 C u0 p0 c0 {2,D} {6,S} {7,S} -4 *1 C u0 p0 c0 {1,D} {2,S} {8,S} -5 H u0 p0 c0 {2,S} +C2H2FO +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 O u0 p2 c0 {4,D} +3 *1 C u1 p0 c0 {4,S} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} 6 H u0 p0 c0 {3,S} + +C3H5F-2 +1 F u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {5,S} {6,S} +3 *1 C u0 p0 c0 {2,S} {4,D} {7,S} +4 C u0 p0 c0 {3,D} {8,S} {9,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 *2 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} + +C3H4F-2 +multiplicity 2 +1 F u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {4,D} {7,S} {8,S} +4 *1 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {3,S} -8 *2 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {3,S} -C3HS +C2HF3 +1 *1 C u0 p0 c0 {2,D} {3,S} {6,S} +2 C u0 p0 c0 {1,D} {4,S} {5,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 *2 H u0 p0 c0 {1,S} + +C2F3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 C u1 p0 c0 {1,D} {5,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} + +CH3FO2-2 +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {4,S} {7,S} +3 O u0 p2 c0 {1,S} {4,S} +4 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +5 *2 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +CH2FO2-2 multiplicity 2 -1 S u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {4,T} -3 *3 C u1 p0 c0 {1,D} {2,S} -4 C u0 p0 c0 {2,T} {5,S} +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {4,S} {6,S} +3 O u0 p2 c0 {1,S} {4,S} +4 *1 C u1 p0 c0 {2,S} {3,S} {5,S} 5 H u0 p0 c0 {4,S} +6 H u0 p0 c0 {2,S} -C3H2S -1 S u0 p2 c0 {2,D} -2 *1 C u0 p0 c0 {1,D} {3,S} {5,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {6,S} -5 *2 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {4,S} +C3H4F2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} +4 C u0 p0 c0 {2,S} {3,S} {5,D} +5 *1 C u0 p0 c0 {4,D} {8,S} {9,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 *2 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} -C2H4S-4 -1 *1 S u0 p2 c0 {2,S} {7,S} -2 C u0 p0 c0 {1,S} {3,D} {4,S} -3 C u0 p0 c0 {2,D} {5,S} {6,S} -4 H u0 p0 c0 {2,S} +C3H3F2 +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} +4 C u0 p0 c0 {2,S} {3,S} {5,D} +5 *1 C u1 p0 c0 {4,D} {8,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {5,S} + +C2H5FO +1 F u0 p3 c0 {2,S} +2 O u0 p2 c0 {1,S} {3,S} +3 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +4 *1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} 5 H u0 p0 c0 {3,S} 6 H u0 p0 c0 {3,S} -7 *2 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C2H3S-4 +C2H4FO multiplicity 2 -1 *3 S u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,D} {4,S} -3 C u0 p0 c0 {2,D} {5,S} {6,S} -4 H u0 p0 c0 {2,S} +1 F u0 p3 c0 {2,S} +2 O u0 p2 c0 {1,S} {3,S} +3 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +4 *1 C u1 p0 c0 {3,S} {7,S} {8,S} 5 H u0 p0 c0 {3,S} 6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} -CH2S2-2 -1 *1 S u0 p2 c0 {3,S} {5,S} -2 S u0 p2 c0 {3,D} -3 C u0 p0 c0 {1,S} {2,D} {4,S} -4 H u0 p0 c0 {3,S} +C2HF3O-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,D} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} 5 *2 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 O u0 p2 c0 {2,D} -CHS2-2 +C2F3O-2 multiplicity 2 -1 *3 S u1 p2 c0 {3,S} -2 S u0 p2 c0 {3,D} -3 C u0 p0 c0 {1,S} {2,D} {4,S} +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 C u0 p0 c0 {1,S} {5,S} {6,D} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 O u0 p2 c0 {2,D} + +CH3FO +1 F u0 p3 c0 {3,S} +2 *1 O u0 p2 c0 {3,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} 4 H u0 p0 c0 {3,S} - -C2H2S -1 *1 S u0 p2 c0 {2,S} {4,S} -2 C u0 p0 c0 {1,S} {3,T} -3 C u0 p0 c0 {2,T} {5,S} -4 *2 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {3,S} +6 *2 H u0 p0 c0 {2,S} -C2HS +CH2FO multiplicity 2 -1 *3 S u1 p2 c0 {3,S} -2 C u0 p0 c0 {3,T} {4,S} -3 C u0 p0 c0 {1,S} {2,T} -4 H u0 p0 c0 {2,S} +1 F u0 p3 c0 {3,S} +2 *1 O u1 p2 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} -C6H6S -1 *1 S u0 p2 c0 {2,S} {13,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {8,S} -4 C u0 p0 c0 {2,B} {6,B} {11,S} -5 C u0 p0 c0 {3,B} {7,B} {9,S} -6 C u0 p0 c0 {4,B} {7,B} {10,S} -7 C u0 p0 c0 {5,B} {6,B} {12,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {6,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {7,S} -13 *2 H u0 p0 c0 {1,S} +CHF +1 *1 C u0 p1 c0 {2,S} {3,S} +2 F u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} -C6H5S +CF multiplicity 2 -1 *3 S u1 p2 c0 {2,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {8,S} -4 C u0 p0 c0 {2,B} {6,B} {11,S} -5 C u0 p0 c0 {3,B} {7,B} {9,S} -6 C u0 p0 c0 {4,B} {7,B} {10,S} -7 C u0 p0 c0 {5,B} {6,B} {12,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {6,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {7,S} +1 F u0 p3 c0 {2,S} +2 *1 C u1 p1 c0 {1,S} -C4H7O-7 +CF-2 multiplicity 2 -1 O u0 p2 c0 {5,D} -2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -4 *3 C u1 p0 c0 {2,S} {3,S} {11,S} -5 C u0 p0 c0 {1,D} {2,S} {12,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {2,S} +2 *3 C u1 p1 c0 {1,S} -C4H8O-7 -1 O u0 p2 c0 {5,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -5 C u0 p0 c0 {1,D} {3,S} {13,S} -6 H u0 p0 c0 {2,S} -7 *2 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} +CHF-2 +1 *3 C u0 p1 c0 {2,S} {3,S} +2 F u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} -NO3 +BrH +1 *1 Br u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +Br multiplicity 2 -1 *3 O u1 p2 c0 {4,S} -2 O u0 p3 c-1 {4,S} -3 O u0 p2 c0 {4,D} -4 N u0 p0 c+1 {1,S} {2,S} {3,D} +1 *1 Br u1 p3 c0 -C3H3-2_p +Br-2 multiplicity 2 -1 *1 C u1 p0 c0 {2,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {3,T} -3 C u0 p0 c0 {2,T} {6,S} -4 H u0 p0 c0 {1,S} +1 *3 Br u1 p3 c0 + +BrH-2 +1 *3 Br u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} + +BrO +multiplicity 2 +1 Br u0 p3 c0 {2,S} +2 *3 O u1 p2 c0 {1,S} + +BrHO +1 *3 O u0 p2 c0 {2,S} {3,S} +2 Br u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} + +BrHO-2 +1 *1 O u0 p2 c0 {2,S} {3,S} +2 Br u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} + +BrO-2 +multiplicity 2 +1 Br u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +CH3Br +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Br u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CH2Br +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Br u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2Br-2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Br u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH3Br-2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Br u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +C3H2BrF3 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 Br u0 p3 c0 {2,S} +8 *2 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3HBrF3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u1 p0 c0 {2,D} {8,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 Br u0 p3 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C4H4F6O +1 F u0 p3 c0 {10,S} +2 F u0 p3 c0 {10,S} +3 F u0 p3 c0 {10,S} +4 F u0 p3 c0 {11,S} +5 F u0 p3 c0 {11,S} +6 F u0 p3 c0 {11,S} +7 O u0 p2 c0 {8,S} {9,S} +8 *1 C u0 p0 c0 {7,S} {10,S} {12,S} {13,S} +9 C u0 p0 c0 {7,S} {11,S} {14,S} {15,S} +10 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +11 C u0 p0 c0 {4,S} {5,S} {6,S} {9,S} +12 *2 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {9,S} + +C4H3F6O +multiplicity 2 +1 F u0 p3 c0 {9,S} +2 F u0 p3 c0 {9,S} +3 F u0 p3 c0 {9,S} +4 F u0 p3 c0 {10,S} +5 F u0 p3 c0 {10,S} +6 F u0 p3 c0 {10,S} +7 O u0 p2 c0 {8,S} {11,S} +8 C u0 p0 c0 {7,S} {9,S} {12,S} {13,S} +9 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +10 C u0 p0 c0 {4,S} {5,S} {6,S} {11,S} +11 *1 C u1 p0 c0 {7,S} {10,S} {14,S} +12 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {11,S} + +ClHO +1 *1 O u0 p2 c0 {2,S} {3,S} +2 Cl u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} + +ClO +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *1 O u1 p2 c0 {1,S} + +ClO-2 +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *3 O u1 p2 c0 {1,S} + +ClHO-2 +1 *3 O u0 p2 c0 {2,S} {3,S} +2 Cl u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} + +CHClO +1 *1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 Cl u0 p3 c0 {1,S} +3 O u0 p2 c0 {1,D} +4 *2 H u0 p0 c0 {1,S} + +CClO +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,D} +2 Cl u0 p3 c0 {1,S} +3 O u0 p2 c0 {1,D} + +CH3Cl +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 *2 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CH2Cl +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2Cl2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CHCl2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C2H5Cl +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 Cl u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4Cl +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H4Cl2 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {2,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H3Cl2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3Cl +1 *1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {3,S} {6,S} +3 Cl u0 p3 c0 {2,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2H2Cl +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 C u1 p0 c0 {1,D} {5,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C4H3-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,T} +3 *3 C u1 p0 c0 {1,D} {6,S} +4 C u0 p0 c0 {2,T} {7,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} -HNO3_p -1 *3 O u0 p2 c0 {4,S} {5,S} -2 O u0 p3 c-1 {4,S} -3 O u0 p2 c0 {4,D} -4 N u0 p0 c+1 {1,S} {2,S} {3,D} -5 *1 H u0 p0 c0 {1,S} +C4H4-3 +1 C u0 p0 c0 {2,D} {3,S} {5,S} +2 *3 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {8,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 *2 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} -HNO2 -1 O u0 p3 c-1 {3,S} -2 O u0 p2 c0 {3,D} -3 *1 N u0 p0 c+1 {1,S} {2,D} {4,S} -4 *2 H u0 p0 c0 {3,S} +C4H5-8 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *3 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} -H2NN(T)_p1 -multiplicity 3 -1 N u0 p1 c0 {2,S} {3,S} {4,S} -2 *1 N u2 p1 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} +C4H6-8 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *3 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 *2 H u0 p0 c0 {4,S} -H2NN(T)_r3 -multiplicity 3 -1 N u0 p1 c0 {2,S} {3,S} {4,S} -2 *3 N u2 p1 c0 {1,S} -3 H u0 p0 c0 {1,S} +C2HO-2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,D} {4,S} +2 C u0 p0 c0 {1,D} {3,D} +3 O u0 p2 c0 {2,D} 4 H u0 p0 c0 {1,S} -N2H3_p23 -multiplicity 2 -1 *3 N u0 p1 c0 {2,S} {3,S} {4,S} -2 N u1 p1 c0 {1,S} {5,S} +C2H2O-2 +1 *3 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,D} 3 H u0 p0 c0 {1,S} 4 *2 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} +5 O u0 p2 c0 {2,D} + +CHCl3-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +CCl3-2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} + +C2H5Cl-2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 Cl u0 p3 c0 {2,S} +4 *2 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4Cl-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C3H7-4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *3 C u1 p0 c0 {1,S} {9,S} {10,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} -N2H4_p23 -1 *3 N u0 p1 c0 {2,S} {3,S} {4,S} -2 N u0 p1 c0 {1,S} {5,S} {6,S} -3 *2 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +C3H8-4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 *2 H u0 p0 c0 {3,S} -N2H2(T)_r3 -multiplicity 3 -1 *3 N u1 p1 c0 {2,S} {3,S} -2 N u1 p1 c0 {1,S} {4,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} +C2H4Cl2-2 +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +3 Cl u0 p3 c0 {2,S} +4 Cl u0 p3 c0 {2,S} +5 *2 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H3Cl2-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +CClF2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +CHClF2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +CBrF2 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Br u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +CHBrF2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Br u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +ClH-2 +1 *1 Cl u0 p3 c0 {2,S} +2 *2 H u0 p0 c0 {1,S} -N2H3_r12b +Cl-2 +multiplicity 2 +1 *1 Cl u1 p3 c0 + +CCl3 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} + +CHCl3 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +C2H3Cl3 +1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 Cl u0 p3 c0 {2,S} +4 Cl u0 p3 c0 {2,S} +5 Cl u0 p3 c0 {2,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} + +C2H2Cl3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3Cl3-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {2,S} +5 Cl u0 p3 c0 {2,S} +6 *2 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H2Cl3-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3Cl3-3 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {2,S} +5 Cl u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 *2 H u0 p0 c0 {2,S} + +C2H2Cl3-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 Cl u0 p3 c0 {2,S} + +C2H2Cl4-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {2,S} +6 Cl u0 p3 c0 {2,S} +7 *2 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2HCl4-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 Cl u0 p3 c0 {2,S} + +C2HCl5 +1 Cl u0 p3 c0 {6,S} +2 Cl u0 p3 c0 {6,S} +3 Cl u0 p3 c0 {7,S} +4 Cl u0 p3 c0 {7,S} +5 Cl u0 p3 c0 {7,S} +6 *1 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +7 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +8 *2 H u0 p0 c0 {6,S} + +C2Cl5 +multiplicity 2 +1 Cl u0 p3 c0 {6,S} +2 Cl u0 p3 c0 {6,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {7,S} +5 Cl u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *1 C u1 p0 c0 {4,S} {5,S} {6,S} + +C2H3Cl-2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,D} {3,S} {6,S} +3 Cl u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} + +C2H2Cl-2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *1 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 Cl u0 p3 c0 {2,S} + +C2HCl2F3 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +3 Cl u0 p3 c0 {2,S} +4 Cl u0 p3 c0 {2,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 F u0 p3 c0 {1,S} +8 *2 H u0 p0 c0 {2,S} + +C2Cl2F3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 Cl u0 p3 c0 {2,S} + +CHCl2F +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +CCl2F +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +CHClF2-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +CClF2-2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +CHBrF2-2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Br u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 *2 H u0 p0 c0 {1,S} + +CBrF2-2 +multiplicity 2 +1 *1 C u1 p0 c0 {2,S} {3,S} {4,S} +2 Br u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +C2HClF4-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} + +C2ClF4-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H5O-6 multiplicity 2 -1 *1 N u1 p0 c+1 {2,S} {3,S} {4,S} -2 N u0 p2 c-1 {1,S} {5,S} -3 H u0 p0 c0 {1,S} -4 *2 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u1 p0 c0 {1,S} {6,S} {7,S} +3 O u0 p2 c0 {1,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} -N2H2(T)_p1 -multiplicity 3 -1 *1 N u1 p1 c0 {2,S} {3,S} -2 N u1 p1 c0 {1,S} {4,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} +C2HBrF4-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Br u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 *2 H u0 p0 c0 {2,S} + +C2H6O-6 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 O u0 p2 c0 {1,S} {9,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 *2 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} -DMS -1 S u0 p2 c0 {2,S} {3,S} -2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +C2BrF4-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *1 C u1 p0 c0 {1,S} {6,S} {7,S} +3 Br u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H4Cl-3 +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *3 C u1 p0 c0 {2,S} {6,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H5Cl-3 +1 Cl u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 *2 H u0 p0 c0 {3,S} + +C2HFO +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {4,D} +3 *1 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {2,D} {3,D} +5 *2 H u0 p0 c0 {3,S} + +C2FO +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {4,D} +3 *1 C u1 p0 c0 {1,S} {4,D} +4 C u0 p0 c0 {2,D} {3,D} + +C2BrF4 +multiplicity 2 +1 Br u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *3 C u1 p0 c0 {4,S} {5,S} {6,S} + +C2HBrF4 +1 Br u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *3 C u0 p0 c0 {4,S} {5,S} {6,S} {8,S} +8 *2 H u0 p0 c0 {7,S} + +CH2Cl-2 +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *3 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +CH3Cl-2 +1 Cl u0 p3 c0 {2,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 *2 H u0 p0 c0 {2,S} + +C2H2Cl4 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {6,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +6 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +7 *2 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} + +C2HCl4 +multiplicity 2 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 Cl u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u1 p0 c0 {4,S} {5,S} {7,S} +7 H u0 p0 c0 {6,S} + +C2H4Cl-4 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C2H5Cl-4 +1 Cl u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 *2 H u0 p0 c0 {3,S} + +C2H5O-7 +multiplicity 2 +1 *3 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {7,S} {8,S} 4 H u0 p0 c0 {2,S} 5 H u0 p0 c0 {2,S} 6 H u0 p0 c0 {2,S} -7 *2 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} 8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} -DMSrad -multiplicity 2 -1 S u0 p2 c0 {2,S} {3,S} -2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 *1 C u1 p0 c0 {1,S} {7,S} {8,S} +C2H6O-7 +1 *3 O u0 p2 c0 {2,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} 4 H u0 p0 c0 {2,S} 5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} 7 H u0 p0 c0 {3,S} 8 H u0 p0 c0 {3,S} +9 *2 H u0 p0 c0 {1,S} -DMSO -1 S u0 p1 c0 {2,D} {3,S} {4,S} -2 O u0 p2 c0 {1,D} -3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} -4 *1 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 *2 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +C2HCl2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *3 C u1 p0 c0 {3,D} {5,S} +5 H u0 p0 c0 {4,S} + +C2H2Cl2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 *3 C u0 p0 c0 {4,D} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 *2 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H2F2-2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {2,S} {3,D} {6,S} +5 *2 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} -DMSOrad +C2HF2-2 multiplicity 2 -1 S u0 p1 c0 {2,D} {3,S} {4,S} -2 O u0 p2 c0 {1,D} -3 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} -4 *1 C u1 p0 c0 {1,S} {8,S} {9,S} +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 *1 C u1 p0 c0 {2,S} {3,D} 5 H u0 p0 c0 {3,S} + +C2F5-2 +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *3 C u1 p0 c0 {4,S} {5,S} {6,S} + +C2HF5-2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *3 C u0 p0 c0 {4,S} {5,S} {6,S} {8,S} +8 *2 H u0 p0 c0 {7,S} + +C3HBrF3-2 +multiplicity 2 +1 Br u0 p3 c0 {6,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +6 C u0 p0 c0 {1,S} {5,S} {7,D} +7 *3 C u1 p0 c0 {6,D} {8,S} +8 H u0 p0 c0 {7,S} + +CHF3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *2 H u0 p0 c0 {4,S} + +C3H2BrF3-2 +1 Br u0 p3 c0 {6,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +6 C u0 p0 c0 {1,S} {5,S} {7,D} +7 *3 C u0 p0 c0 {6,D} {8,S} {9,S} +8 *2 H u0 p0 c0 {7,S} +9 H u0 p0 c0 {7,S} + +CF3 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {3,S} + +C2H3Cl2-3 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *3 C u1 p0 c0 {3,S} {6,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +C2H4Cl2-3 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *3 C u0 p0 c0 {3,S} {6,S} {7,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} +8 *2 H u0 p0 c0 {4,S} + +C2H3Cl2-4 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 *3 C u1 p0 c0 {2,S} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H4Cl2-4 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 *2 H u0 p0 c0 {4,S} + +C3HF4-4 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +6 C u0 p0 c0 {4,S} {7,D} {8,S} +7 *3 C u1 p0 c0 {5,S} {6,D} +8 H u0 p0 c0 {6,S} + +C3H2F4-4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *3 C u0 p0 c0 {5,S} {7,D} {8,S} +7 C u0 p0 c0 {4,S} {6,D} {9,S} +8 *2 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {7,S} + +C2ClF4 +multiplicity 2 +1 Cl u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *3 C u1 p0 c0 {4,S} {5,S} {6,S} + +C2HClF4 +1 Cl u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *3 C u0 p0 c0 {4,S} {5,S} {6,S} {8,S} +8 *2 H u0 p0 c0 {7,S} + +C3HF4-5 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 C u0 p0 c0 {4,S} {5,S} {7,D} +7 *3 C u1 p0 c0 {6,D} {8,S} +8 H u0 p0 c0 {7,S} + +C3H2F4-5 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 C u0 p0 c0 {4,S} {5,S} {7,D} +7 *3 C u0 p0 c0 {6,D} {8,S} {9,S} +8 *2 H u0 p0 c0 {7,S} +9 H u0 p0 c0 {7,S} + +C3HF4-6 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 C u0 p0 c0 {5,S} {7,D} {8,S} +7 *3 C u1 p0 c0 {4,S} {6,D} +8 H u0 p0 c0 {6,S} + +C3H2F4-6 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 C u0 p0 c0 {5,S} {7,D} {8,S} +7 *3 C u0 p0 c0 {4,S} {6,D} {9,S} +8 H u0 p0 c0 {6,S} +9 *2 H u0 p0 c0 {7,S} + +C2H4Cl2-5 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 *2 H u0 p0 c0 {4,S} + +C2H3Cl2-5 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +CHCl2-2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *3 C u1 p0 c0 {1,S} {2,S} {4,S} +4 H u0 p0 c0 {3,S} + +CH2Cl2-2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {3,S} +3 *3 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 *2 H u0 p0 c0 {3,S} + +C2HF2-3 +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *3 C u1 p0 c0 {3,D} {5,S} +5 H u0 p0 c0 {4,S} + +C2H2F2-3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 *3 C u0 p0 c0 {4,D} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 *2 H u0 p0 c0 {3,S} 6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -DMSO2 -1 S u0 p0 c0 {2,D} {3,D} {4,S} {5,S} -2 O u0 p2 c0 {1,D} -3 O u0 p2 c0 {1,D} -4 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -5 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -6 H u0 p0 c0 {4,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 *2 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {5,S} +CHFO +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 *1 C u0 p0 c0 {1,S} {2,D} {4,S} +4 *2 H u0 p0 c0 {3,S} -DMSO2rad +CFO multiplicity 2 -1 S u0 p0 c0 {2,D} {3,D} {4,S} {5,S} -2 O u0 p2 c0 {1,D} -3 O u0 p2 c0 {1,D} -4 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} -5 *1 C u1 p0 c0 {1,S} {9,S} {10,S} -6 H u0 p0 c0 {4,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 *1 C u1 p0 c0 {1,S} {2,D} + +C2HF4-3 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *3 C u1 p0 c0 {4,S} {5,S} {7,S} +7 H u0 p0 c0 {6,S} + +C2H2F4-3 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *3 C u0 p0 c0 {4,S} {5,S} {7,S} {8,S} +7 H u0 p0 c0 {6,S} +8 *2 H u0 p0 c0 {6,S} + +C2HF4-4 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 *3 C u1 p0 c0 {3,S} {4,S} {5,S} +7 H u0 p0 c0 {5,S} + +C2H2F4-4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 *3 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +7 H u0 p0 c0 {5,S} +8 *2 H u0 p0 c0 {6,S} + +C2H3F2-5 +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 *3 C u1 p0 c0 {2,S} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} -I_r3 +C2H4F2-5 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 *2 H u0 p0 c0 {4,S} + +C2H2F multiplicity 2 -1 *3 I u1 p3 c0 +1 F u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *3 C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} -HI_p23 -1 *3 I u0 p3 c0 {2,S} -2 *2 H u0 p0 c0 {1,S} +C2H3F +1 F u0 p3 c0 {2,S} +2 *3 C u0 p0 c0 {1,S} {3,D} {4,S} +3 C u0 p0 c0 {2,D} {5,S} {6,S} +4 *2 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} -HI_r12 -1 *1 I u0 p3 c0 {2,S} -2 *2 H u0 p0 c0 {1,S} +C3H7Cl +1 Cl u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +5 H u0 p0 c0 {2,S} +6 *2 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +C3H6Cl +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +4 *1 C u1 p0 c0 {2,S} {9,S} {10,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} + +C2Cl3 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,D} +5 *3 C u1 p0 c0 {3,S} {4,D} + +C2HCl3 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 *3 C u0 p0 c0 {1,S} {5,D} {6,S} +5 C u0 p0 c0 {2,S} {3,S} {4,D} +6 *2 H u0 p0 c0 {4,S} + +CFO-2 +multiplicity 2 +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 *3 C u1 p0 c0 {1,S} {2,D} + +CHFO-2 +1 F u0 p3 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 *3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 *2 H u0 p0 c0 {3,S} -I_p1 +C2H2F-2 multiplicity 2 -1 *1 I u1 p3 c0 +1 F u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *3 C u1 p0 c0 {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} -O_rad_p -multiplicity 3 -1 *1 O u2 p2 c0 +C2H3F-2 +1 F u0 p3 c0 {3,S} +2 *3 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {1,S} {2,D} {6,S} +4 *2 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} -C6H6_p23 -1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,T} -4 C u0 p0 c0 {1,S} {6,T} -5 C u0 p0 c0 {3,T} {11,S} -6 C u0 p0 c0 {4,T} {12,S} -7 *2 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} +C3H5O-5 +multiplicity 2 +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 C u0 p0 c0 {1,D} {2,S} {4,S} +4 *3 C u1 p0 c0 {3,S} {8,S} {9,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C5H12-3 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -6 *2 H u0 p0 c0 {2,S} +C3H6O-5 +1 O u0 p2 c0 {4,D} +2 *3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +3 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +4 C u0 p0 c0 {1,D} {2,S} {3,S} +5 *2 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} -C5H11-2 +C2H2Cl-3 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -5 *3 C u1 p0 c0 {2,S} {4,S} {16,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} +1 Cl u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *3 C u1 p0 c0 {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} -C5H12-4 -1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {15,S} {16,S} {17,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 *2 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {5,S} +C2H3Cl-3 +1 Cl u0 p3 c0 {3,S} +2 *3 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {1,S} {2,D} {6,S} +4 *2 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} -C5H11-3 +C2HF2-4 multiplicity 2 -1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -5 *3 C u1 p0 c0 {1,S} {2,S} {16,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 *3 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {3,S} +C2H2F2-4 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 *3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {2,S} {3,D} {6,S} +5 *2 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} -C6H5-3 +C3H2F3-5 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {8,S} -2 *1 C u0 p0 c0 {1,B} {4,B} {7,S} -3 C u0 p0 c0 {1,B} {5,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 C u1 p0 c0 {4,B} {5,B} -7 *2 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +5 C u0 p0 c0 {6,D} {7,S} {8,S} +6 *3 C u1 p0 c0 {4,S} {5,D} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} -C6H4 -multiplicity 3 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {5,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {9,S} -4 C u0 p0 c0 {5,B} {6,B} {10,S} -5 *3 C u1 p0 c0 {2,B} {4,B} -6 C u1 p0 c0 {3,B} {4,B} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} +C3H3F3-5 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *3 C u0 p0 c0 {4,S} {6,D} {7,S} +6 C u0 p0 c0 {5,D} {8,S} {9,S} +7 *2 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {6,S} + +C2H3F-3 +1 F u0 p3 c0 {3,S} +2 *1 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {1,S} {2,D} {6,S} +4 *2 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} -C6H5-4 +C2H2F-3 multiplicity 2 -1 *1 C u0 p0 c0 {2,B} {3,B} {8,S} -2 C u0 p0 c0 {1,B} {4,B} {7,S} -3 C u0 p0 c0 {1,B} {5,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 C u1 p0 c0 {4,B} {5,B} -7 H u0 p0 c0 {2,S} -8 *2 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +1 F u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *1 C u1 p0 c0 {2,D} {5,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} -C6H4-2 -multiplicity 3 -1 C u0 p0 c0 {3,B} {5,B} {7,S} -2 C u0 p0 c0 {4,B} {5,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 *3 C u1 p0 c0 {1,B} {2,B} -6 C u1 p0 c0 {3,B} {4,B} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} +C2F3-2 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,D} +5 *3 C u1 p0 c0 {3,S} {4,D} + +C2HF3-2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 *3 C u0 p0 c0 {1,S} {5,D} {6,S} +5 C u0 p0 c0 {2,S} {3,S} {4,D} +6 *2 H u0 p0 c0 {4,S} + +C2Cl2F3-2 +multiplicity 2 +1 Cl u0 p3 c0 {7,S} +2 Cl u0 p3 c0 {7,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 F u0 p3 c0 {6,S} +6 C u0 p0 c0 {3,S} {4,S} {5,S} {7,S} +7 *3 C u1 p0 c0 {1,S} {2,S} {6,S} + +C2HCl2F3-2 +1 Cl u0 p3 c0 {7,S} +2 Cl u0 p3 c0 {7,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 F u0 p3 c0 {6,S} +6 C u0 p0 c0 {3,S} {4,S} {5,S} {7,S} +7 *3 C u0 p0 c0 {1,S} {2,S} {6,S} {8,S} +8 *2 H u0 p0 c0 {7,S} + +C2HCl2-2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 *3 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {3,S} + +C2H2Cl2-2 +1 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 *3 C u0 p0 c0 {1,S} {4,D} {5,S} +4 C u0 p0 c0 {2,S} {3,D} {6,S} +5 *2 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +CClO-2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 *3 C u1 p0 c0 {1,S} {2,D} + +CHClO-2 +1 Cl u0 p3 c0 {3,S} +2 O u0 p2 c0 {3,D} +3 *3 C u0 p0 c0 {1,S} {2,D} {4,S} +4 *2 H u0 p0 c0 {3,S} + +C2H3F-4 +1 F u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,S} {2,D} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 *2 H u0 p0 c0 {3,S} -C10H7-3 +C2H2F-4 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {10,B} -3 C u0 p0 c0 {1,B} {7,B} {15,S} -4 C u0 p0 c0 {1,B} {8,B} {16,S} -5 C u0 p0 c0 {2,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {3,B} {6,B} {14,S} -8 C u0 p0 c0 {4,B} {9,B} {11,S} -9 C u0 p0 c0 {8,B} {10,B} {17,S} -10 *1 C u1 p0 c0 {2,B} {9,B} -11 H u0 p0 c0 {8,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {9,S} +1 F u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} C14H10 1 C u0 p0 c0 {4,B} {5,B} {7,B} @@ -5658,7 +9625,7 @@ multiplicity 2 22 H u0 p0 c0 {5,S} 23 H u0 p0 c0 {7,S} -C14H10_p +C14H10-2 1 C u0 p0 c0 {2,B} {3,B} {5,B} 2 C u0 p0 c0 {1,B} {4,B} {10,B} 3 C u0 p0 c0 {1,B} {6,B} {7,B} @@ -5684,7 +9651,7 @@ C14H10_p 23 H u0 p0 c0 {14,S} 24 H u0 p0 c0 {10,S} -C14H9_p +C14H9-2 multiplicity 2 1 C u0 p0 c0 {2,B} {3,B} {7,B} 2 C u0 p0 c0 {1,B} {4,B} {5,B} @@ -5742,7 +9709,6 @@ C18H12 29 H u0 p0 c0 {10,S} 30 H u0 p0 c0 {14,S} - C18H11 multiplicity 2 1 C u0 p0 c0 {6,B} {7,B} {11,B} @@ -5869,7 +9835,6 @@ C22H14 35 H u0 p0 c0 {14,S} 36 H u0 p0 c0 {18,S} - C22H13 multiplicity 2 1 C u0 p0 c0 {8,B} {9,B} {15,B} @@ -5906,4 +9871,5 @@ multiplicity 2 32 H u0 p0 c0 {12,S} 33 H u0 p0 c0 {13,S} 34 H u0 p0 c0 {14,S} -35 H u0 p0 c0 {18,S} \ No newline at end of file +35 H u0 p0 c0 {18,S} + diff --git a/input/kinetics/families/H_Abstraction/training/reactions.py b/input/kinetics/families/H_Abstraction/training/reactions.py index 62cd6344f6..ce7ddcf09e 100755 --- a/input/kinetics/families/H_Abstraction/training/reactions.py +++ b/input/kinetics/families/H_Abstraction/training/reactions.py @@ -221,7 +221,7 @@ entry( index = 9, - label = "CH2O + C4H7 <=> HCO_r3 + C4H8", + label = "CH2O + C4H7 <=> CHO + C4H8", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0613,'cm^3/(mol*s)'), n=3.95, Ea=(12.22,'kcal/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 5, @@ -271,7 +271,7 @@ entry( index = 11, - label = "C4H10O-11 + C3H7 <=> C4H9O-11 + C3H8", + label = "C4H10O-11 + C3H7-2 <=> C4H9O-11 + C3H8-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.12e-06,'cm^3/(mol*s)'), n=5.06, Ea=(4.89,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -292,7 +292,7 @@ entry( index = 12, - label = "C4H8 + C4H9O-12 <=> C4H7 + C4H10O-12", + label = "C4H8-2 + C4H9O-12 <=> C4H7-2 + C4H10O-12", degeneracy = 6.0, kinetics = Arrhenius(A=(5.034e-05,'cm^3/(mol*s)'), n=4.89, Ea=(4.32,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -313,7 +313,7 @@ entry( index = 13, - label = "C4H8 + C4H9O-10 <=> C4H7 + C4H10O-10", + label = "C4H8-2 + C4H9O-10 <=> C4H7-2 + C4H10O-10", degeneracy = 6.0, kinetics = Arrhenius(A=(8.64e-05,'cm^3/(mol*s)'), n=4.52, Ea=(1.46,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -334,7 +334,7 @@ entry( index = 14, - label = "C4H8 + C4H9O-11 <=> C4H7 + C4H10O-11", + label = "C4H8-2 + C4H9O-13 <=> C4H7-2 + C4H10O-13", degeneracy = 6.0, kinetics = Arrhenius(A=(2.946e-05,'cm^3/(mol*s)'), n=5.07, Ea=(3.66,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -355,7 +355,7 @@ entry( index = 15, - label = "C4H8 + C4H9O-13 <=> C4H7 + C4H10O-13", + label = "C4H8-2 + C4H9O-14 <=> C4H7-2 + C4H10O-14", degeneracy = 6.0, kinetics = Arrhenius(A=(3.498,'cm^3/(mol*s)'), n=3.74, Ea=(1.45,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -426,7 +426,7 @@ entry( index = 18, - label = "C3H6 + C4H9O-11 <=> C3H5 + C4H10O-11", + label = "C3H6 + C4H9O-13 <=> C3H5 + C4H10O-13", degeneracy = 3.0, kinetics = Arrhenius(A=(9.33e-06,'cm^3/(mol*s)'), n=4.97, Ea=(3.64,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -447,7 +447,7 @@ entry( index = 19, - label = "C3H6 + C4H9O-13 <=> C3H5 + C4H10O-13", + label = "C3H6 + C4H9O-14 <=> C3H5 + C4H10O-14", degeneracy = 3.0, kinetics = Arrhenius(A=(0.357,'cm^3/(mol*s)'), n=3.9, Ea=(1.81,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -493,7 +493,7 @@ entry( index = 21, - label = "C4H10O-10 + C2H5 <=> C4H9O-10 + C2H6", + label = "C4H10O-15 + C2H5-2 <=> C4H9O-15 + C2H6-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.41e-05,'cm^3/(mol*s)'), n=4.83, Ea=(4.37,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -518,7 +518,7 @@ entry( index = 22, - label = "C4H10O-11 + C2H5 <=> C4H9O-11 + C2H6", + label = "C4H10O-11 + C2H5-2 <=> C4H9O-11 + C2H6-2", degeneracy = 2.0, kinetics = Arrhenius(A=(8.5e-06,'cm^3/(mol*s)'), n=5.01, Ea=(5.01,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -539,7 +539,7 @@ entry( index = 23, - label = "C2H6 + C4H9O-13 <=> C2H5 + C4H10O-13", + label = "C2H6 + C4H9O-14 <=> C2H5 + C4H10O-14", degeneracy = 6.0, kinetics = Arrhenius(A=(0.03042,'cm^3/(mol*s)'), n=4.52, Ea=(2.34,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -560,7 +560,7 @@ entry( index = 24, - label = "C4H10O-10 + C2H3 <=> C4H9O-10 + C2H4", + label = "C4H10O-15 + C2H3 <=> C4H9O-15 + C2H4", degeneracy = 1.0, kinetics = Arrhenius(A=(5.49,'cm^3/(mol*s)'), n=3.33, Ea=(0.63,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -585,7 +585,7 @@ entry( index = 25, - label = "C4H10O-12 + C3H5-2 <=> C4H9O-12 + C3H6-2", + label = "C4H10O-16 + C3H5-2 <=> C4H9O-16 + C3H6-2", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0001866,'cm^3/(mol*s)'), n=4.87, Ea=(3.5,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -648,7 +648,7 @@ entry( index = 28, - label = "C4H10O-10 + C3H5O <=> C4H9O-10 + C3H6O", + label = "C4H10O-15 + C3H5O-2 <=> C4H9O-15 + C3H6O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000485,'cm^3/(mol*s)'), n=4.37, Ea=(9.66,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -669,7 +669,7 @@ entry( index = 29, - label = "C4H10O-11 + C3H5O <=> C4H9O-11 + C3H6O", + label = "C4H10O-11 + C3H5O-2 <=> C4H9O-11 + C3H6O-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00368,'cm^3/(mol*s)'), n=4.02, Ea=(7.92,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -711,7 +711,7 @@ entry( index = 31, - label = "C4H8 + C3H5O-2 <=> C4H7 + C3H6O-2", + label = "C4H8-2 + C3H5O-3 <=> C4H7-2 + C3H6O-3", degeneracy = 6.0, kinetics = Arrhenius(A=(4.512e-07,'cm^3/(mol*s)'), n=5.77, Ea=(12.04,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -732,7 +732,7 @@ entry( index = 32, - label = "C4H8-2 + HO2_r3 <=> C4H7-2 + H2O2", + label = "C4H8-3 + HO2-2 <=> C4H7-3 + H2O2-2", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00346998,'cm^3/(mol*s)'), n=4.65, Ea=(9.78,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -753,7 +753,7 @@ entry( index = 33, - label = "H2O2 + C4H7-3 <=> HO2 + C4H8-3", + label = "H2O2 + C4H7-4 <=> HO2 + C4H8-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.875,'cm^3/(mol*s)'), n=3.59, Ea=(-4.03,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -776,7 +776,7 @@ entry( index = 34, - label = "C4H8-4 + HO2_r3 <=> C4H7-4 + H2O2", + label = "C4H8-5 + HO2-2 <=> C4H7-5 + H2O2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000508,'cm^3/(mol*s)'), n=4.59, Ea=(7.16,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -799,7 +799,7 @@ entry( index = 35, - label = "H2O2 + C4H7-5 <=> HO2 + C4H8-5", + label = "H2O2 + C4H7-6 <=> HO2 + C4H8-6", degeneracy = 2.0, kinetics = Arrhenius(A=(2,'cm^3/(mol*s)'), n=3.52, Ea=(-7.48,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -878,7 +878,7 @@ entry( index = 38, - label = "C4H8-4 + CH3O2 <=> C4H7-4 + CH4O2", + label = "C4H8-5 + CH3O2 <=> C4H7-5 + CH4O2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01482,'cm^3/(mol*s)','*|/',3), n=4.313, Ea=(8.016,'kcal/mol','+|-',2), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 5, @@ -915,7 +915,7 @@ entry( index = 39, - label = "H2O2 + C3H5 <=> HO2 + C3H6", + label = "H2O2 + C3H5-3 <=> HO2 + C3H6-3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0351,'cm^3/(mol*s)','*|/',3), n=4.22, Ea=(9.86,'kcal/mol','+|-',2), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 5, @@ -943,7 +943,7 @@ entry( index = 40, - label = "C4H8O-3 + HO2_r3 <=> C4H7O-3 + H2O2", + label = "C4H8O-3 + HO2-2 <=> C4H7O-3 + H2O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000191,'cm^3/(mol*s)','*|/',3), n=4.25, Ea=(0.81,'kcal/mol','+|-',2), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 5, @@ -964,7 +964,7 @@ entry( index = 41, - label = "C4H10O-10 + C3H7 <=> C4H9O-10 + C3H8", + label = "C4H10O-15 + C3H7-2 <=> C4H9O-15 + C3H8-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.35e-06,'cm^3/(mol*s)'), n=4.84, Ea=(4.27,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -989,7 +989,7 @@ entry( index = 42, - label = "C3H6O-3 + OH <=> C3H5O-3 + H2O", + label = "C3H6O-4 + HO <=> C3H5O-4 + H2O", degeneracy = 6.0, kinetics = Arrhenius(A=(132.6,'cm^3/(mol*s)'), n=3.29, Ea=(-1,'kcal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 5, @@ -1012,7 +1012,7 @@ entry( index = 43, - label = "C4H8O-4 + OH <=> C4H7O-4 + H2O", + label = "C4H8O-4 + HO <=> C4H7O-4 + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(399,'cm^3/(mol*s)'), n=3.08, Ea=(-0.9433,'kcal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 5, @@ -1035,7 +1035,7 @@ entry( index = 44, - label = "C4H8O-5 + OH <=> C4H7O-5 + H2O", + label = "C4H8O-5 + HO <=> C4H7O-5 + H2O", degeneracy = 2.0, kinetics = Arrhenius(A=(236,'cm^3/(mol*s)'), n=3.15, Ea=(-3.048,'kcal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 5, @@ -1058,7 +1058,7 @@ entry( index = 45, - label = "C4H8O-6 + OH <=> C4H7O-6 + H2O", + label = "C4H8O-6 + HO <=> C4H7O-6 + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(1.35,'cm^3/(mol*s)'), n=3.81, Ea=(-2.897,'kcal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 5, @@ -1081,7 +1081,7 @@ entry( index = 46, - label = "C5H10O + OH <=> C5H9O + H2O", + label = "C5H10O + HO <=> C5H9O + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(2568,'cm^3/(mol*s)'), n=2.9, Ea=(-1.0505,'kcal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 5, @@ -1104,7 +1104,7 @@ entry( index = 47, - label = "C5H10O-2 + OH <=> C5H9O-2 + H2O", + label = "C5H10O-2 + HO <=> C5H9O-2 + H2O", degeneracy = 1.0, kinetics = Arrhenius(A=(4920,'cm^3/(mol*s)'), n=2.7, Ea=(-4.033,'kcal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 5, @@ -1127,7 +1127,7 @@ entry( index = 48, - label = "C5H10O-3 + OH <=> C5H9O-3 + H2O", + label = "C5H10O-3 + HO <=> C5H9O-3 + H2O", degeneracy = 6.0, kinetics = Arrhenius(A=(15.54,'cm^3/(mol*s)'), n=3.54, Ea=(-2.907,'kcal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 5, @@ -1150,7 +1150,7 @@ entry( index = 49, - label = "C4H10O-4 + OH <=> H2O + C4H9O-4", + label = "C4H10O-17 + HO <=> H2O + C4H9O-17", degeneracy = 2.0, kinetics = Arrhenius(A=(3610,'cm^3/(mol*s)'), n=2.89, Ea=(-2291,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 10, @@ -1164,7 +1164,7 @@ entry( index = 50, - label = "CH4b + SH <=> CH3_p1 + H2S", + label = "CH4 + HS <=> CH3 + H2S", degeneracy = 4.0, kinetics = Arrhenius(A=(469,'cm^3/(mol*s)'), n=3.02, Ea=(66.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1178,7 +1178,7 @@ entry( index = 51, - label = "C2H6 + SH <=> C2H5b + H2S", + label = "C2H6 + HS <=> C2H5 + H2S", degeneracy = 6.0, kinetics = Arrhenius(A=(263,'cm^3/(mol*s)'), n=3.41, Ea=(42.2,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1192,7 +1192,7 @@ entry( index = 52, - label = "C3H8b + SH <=> CH2CH2CH3 + H2S", + label = "C3H8-3 + HS <=> C3H7-3 + H2S", degeneracy = 6.0, kinetics = Arrhenius(A=(512,'cm^3/(mol*s)'), n=3.39, Ea=(43.2,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1206,7 +1206,7 @@ entry( index = 53, - label = "C3H8 + SH <=> CH3CHCH3 + H2S", + label = "C3H8 + HS <=> C3H7 + H2S", degeneracy = 2.0, kinetics = Arrhenius(A=(3.16e+06,'cm^3/(mol*s)'), n=1.79, Ea=(34.6,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1220,7 +1220,7 @@ entry( index = 54, - label = "C4H10b + SH <=> CH3CHCH2CH3 + H2S", + label = "C4H10 + HS <=> C4H9 + H2S", degeneracy = 4.0, kinetics = Arrhenius(A=(19400,'cm^3/(mol*s)'), n=2.53, Ea=(31.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1234,7 +1234,7 @@ entry( index = 55, - label = "C2H4 + SH <=> CHCH2 + H2S", + label = "C2H4-2 + HS <=> C2H3-2 + H2S", degeneracy = 4.0, kinetics = Arrhenius(A=(0.178,'cm^3/(mol*s)'), n=3.31, Ea=(81.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1248,7 +1248,7 @@ entry( index = 56, - label = "C3H6 + SH <=> CH2CHCH2 + H2S", + label = "C3H6 + HS <=> C3H5 + H2S", degeneracy = 3.0, kinetics = Arrhenius(A=(1.2,'cm^3/(mol*s)'), n=3.79, Ea=(9.9,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1262,7 +1262,7 @@ entry( index = 57, - label = "C4H8-4 + SH <=> CH2CHCHCH3 + H2S", + label = "C4H8-5 + HS <=> C4H7-5 + H2S", degeneracy = 2.0, kinetics = Arrhenius(A=(13.2,'cm^3/(mol*s)'), n=3.4, Ea=(0.4,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1276,7 +1276,7 @@ entry( index = 58, - label = "C4H8-6 + SH <=> CH2CCH2CH3 + H2S", + label = "C4H8-7 + HS <=> C4H7-7 + H2S", degeneracy = 1.0, kinetics = Arrhenius(A=(162,'cm^3/(mol*s)'), n=3.32, Ea=(36.5,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1290,7 +1290,7 @@ entry( index = 59, - label = "C3H4-1 + SH <=> CH2CCH + H2S", + label = "C3H4 + HS <=> C3H3 + H2S", degeneracy = 4.0, kinetics = Arrhenius(A=(151,'cm^3/(mol*s)'), n=3.37, Ea=(30.2,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1304,7 +1304,7 @@ entry( index = 60, - label = "C4H6 + SH <=> CHCCHCH3 + H2S", + label = "C4H6 + HS <=> C4H5 + H2S", degeneracy = 2.0, kinetics = Arrhenius(A=(66.2,'cm^3/(mol*s)'), n=3.32, Ea=(8.01,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -1318,7 +1318,7 @@ entry( index = 61, - label = "O_rad + HNCN <=> OH_p23 + NCN", + label = "O + CHN2 <=> HO-2 + CN2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.48e+22,'cm^3/(mol*s)'), n=-3.37, Ea=(5429,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, @@ -1333,7 +1333,7 @@ entry( index = 62, - label = "O2 + HNCN <=> HO2 + NCN", + label = "O2 + CHN2 <=> HO2-3 + CN2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.61e+08,'cm^3/(mol*s)'), n=1.25, Ea=(24443,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, @@ -1348,7 +1348,7 @@ entry( index = 63, - label = "N + H2 <=> NH_p23 + H_p", + label = "N + H2-2 <=> HN + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.6e+14,'cm^3/(mol*s)'), n=0, Ea=(25138,'cal/mol'), T0=(1,'K')), rank = 1, @@ -1361,7 +1361,7 @@ entry( index = 64, - label = "N2H4_r12 + NO <=> N2H3_p1 + HNO_p", + label = "H4N2 + NO <=> H3N2 + HNO", degeneracy = 4.0, kinetics = Arrhenius(A=(64.4,'cm^3/(mol*s)'), n=3.16, Ea=(30488,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 4, @@ -1376,7 +1376,7 @@ entry( index = 65, - label = "HNCN + OH <=> H2O_p + NCN", + label = "CHN2 + HO <=> H2O + CN2", degeneracy = 1.0, kinetics = Arrhenius(A=(104000,'cm^3/(mol*s)'), n=2.48, Ea=(-1886,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, @@ -1390,7 +1390,7 @@ entry( index = 66, - label = "NH3_r + NO <=> NH2_p1 + HNO_p", + label = "H3N + NO <=> H2N + HNO", degeneracy = 3.0, kinetics = Arrhenius(A=(1.04e+07,'cm^3/(mol*s)'), n=1.73, Ea=(56544,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(5000,'K')), rank = 4, @@ -1405,7 +1405,7 @@ entry( index = 67, - label = "NH2_r3 + H2 <=> NH3_p23 + H_p", + label = "H2N-2 + H2-2 <=> H3N-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(20300,'cm^3/(mol*s)'), n=2.58163, Ea=(6538,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 1, @@ -1419,7 +1419,7 @@ entry( index = 68, - label = "NH2_r3 + CH4b <=> NH3_p23 + CH3_p1", + label = "H2N-2 + CH4 <=> H3N-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(13600,'cm^3/(mol*s)'), n=2.87, Ea=(10691,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(5000,'K')), rank = 4, @@ -1434,7 +1434,7 @@ entry( index = 69, - label = "NH2_r3 + H2O <=> NH3_p23 + OH_p1", + label = "H2N-2 + H2O-2 <=> H3N-2 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(2.62e+13,'cm^3/(mol*s)'), n=0, Ea=(16846,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(5000,'K')), rank = 4, @@ -1451,7 +1451,7 @@ entry( index = 70, - label = "H2S_r + H <=> SH_p1 + H2_p", + label = "H2S-2 + H <=> HS-2 + H2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.5e+07,'cm^3/(mol*s)'), n=1.94, Ea=(904,'cal/mol'), T0=(1,'K'), Tmin=(190,'K'), Tmax=(2237,'K')), rank = 1, @@ -1466,7 +1466,7 @@ entry( index = 71, - label = "H2S_r + S_rad <=> SH_p1 + SH", + label = "H2S-2 + S <=> HS-2 + HS-3", degeneracy = 2.0, kinetics = Arrhenius(A=(3.7e+06,'cm^3/(mol*s)'), n=2.297, Ea=(9010,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, @@ -1480,7 +1480,7 @@ entry( index = 72, - label = "H2 + S_rad <=> SH + H_p", + label = "H2-2 + S <=> HS-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.58e+14,'cm^3/(mol*s)'), n=0, Ea=(19700,'cal/mol'), T0=(1,'K'), Tmin=(2740,'K'), Tmax=(3570,'K')), rank = 1, @@ -1494,7 +1494,7 @@ entry( index = 73, - label = "CH4b + S_rad <=> SH + CH3_p1", + label = "CH4 + S <=> HS-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(2.04e+14,'cm^3/(mol*s)'), n=0, Ea=(19910,'cal/mol'), T0=(1,'K'), Tmin=(830,'K'), Tmax=(2500,'K')), rank = 1, @@ -1509,7 +1509,7 @@ entry( index = 74, - label = "C2H6 + S_rad <=> SH + C2H5b", + label = "C2H6 + S <=> HS-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(1.23e+14,'cm^3/(mol*s)'), n=0, Ea=(14750,'cal/mol'), T0=(1,'K'), Tmin=(830,'K'), Tmax=(2500,'K')), rank = 1, @@ -1524,7 +1524,7 @@ entry( index = 75, - label = "S_rad + HSS_r12 <=> SH_p1 + S2_p1", + label = "S + HS2 <=> HS-3 + S2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.17e+06,'cm^3/(mol*s)'), n=2.2, Ea=(-600,'cal/mol'), T0=(1,'K'), Tmin=(873,'K'), Tmax=(1423,'K')), rank = 5, @@ -1538,7 +1538,7 @@ entry( index = 76, - label = "HSS_r12 + HSS_r3 <=> HSSH_p23 + S2_p1", + label = "HS2 + HS2-2 <=> H2S2 + S2", degeneracy = 2.0, kinetics = Arrhenius(A=(9.56,'cm^3/(mol*s)'), n=3.37, Ea=(-1672,'cal/mol'), T0=(1,'K'), Tmin=(873,'K'), Tmax=(1423,'K')), rank = 5, @@ -1552,7 +1552,7 @@ entry( index = 77, - label = "HSSH_r12 + H <=> HSS_p1 + H2_p", + label = "H2S2-2 + H <=> HS2-3 + H2", degeneracy = 2.0, kinetics = Arrhenius(A=(9.56,'cm^3/(mol*s)'), n=3.37, Ea=(-1672,'cal/mol'), T0=(1,'K'), Tmin=(873,'K'), Tmax=(1423,'K')), rank = 5, @@ -1566,7 +1566,7 @@ entry( index = 78, - label = "HSSH_r12 + SH <=> H2S + HSS_p1", + label = "H2S2-2 + HS <=> H2S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(6400,'cm^3/(mol*s)'), n=2.98, Ea=(-1480,'cal/mol'), T0=(1,'K'), Tmin=(873,'K'), Tmax=(1423,'K')), rank = 5, @@ -1580,7 +1580,7 @@ entry( index = 79, - label = "HSSH_r12 + S_rad <=> HSS_p1 + SH", + label = "H2S2-2 + S <=> HS2-3 + HS-3", degeneracy = 2.0, kinetics = Arrhenius(A=(6400,'cm^3/(mol*s)'), n=2.98, Ea=(-1480,'cal/mol'), T0=(1,'K'), Tmin=(873,'K'), Tmax=(1423,'K')), rank = 5, @@ -1594,7 +1594,7 @@ entry( index = 80, - label = "HONO_r + H <=> H2_p + NO2_p", + label = "HNO2 + H <=> H2 + NO2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.01e+08,'cm^3/(mol*s)'), n=1.55, Ea=(6614,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3500,'K')), rank = 4, @@ -1608,7 +1608,7 @@ entry( index = 81, - label = "HNO_r + H <=> NO_p + H2_p", + label = "HNO-2 + H <=> NO-2 + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.46e+11,'cm^3/(mol*s)'), n=0.72, Ea=(655,'cal/mol'), T0=(1,'K'), Tmin=(200,'K'), Tmax=(3000,'K')), rank = 4, @@ -1622,7 +1622,7 @@ entry( index = 82, - label = "HNO3_r + H <=> H2_p + NO3_p", + label = "HNO3 + H <=> H2 + NO3", degeneracy = 1.0, kinetics = Arrhenius(A=(5.56e+08,'cm^3/(mol*s)'), n=1.53, Ea=(16400,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, @@ -1636,7 +1636,7 @@ entry( index = 83, - label = "HCO_r3 + HNO_r <=> CH2O_p + NO_p", + label = "CHO-2 + HNO-2 <=> CH2O-2 + NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.583,'cm^3/(mol*s)'), n=3.84, Ea=(115,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, @@ -1650,7 +1650,7 @@ entry( index = 84, - label = "CH2O + NO2 <=> CHO_p1 + HONO_p", + label = "CH2O + NO2-2 <=> CHO + HNO2-2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.42e-07,'cm^3/(mol*s)'), n=5.64, Ea=(9221,'cal/mol'), T0=(1,'K'), Tmin=(200,'K'), Tmax=(3000,'K')), rank = 4, @@ -1665,7 +1665,7 @@ entry( index = 85, - label = "HNO3_r + OH <=> H2O_p + NO3_p", + label = "HNO3 + HO <=> H2O + NO3", degeneracy = 1.0, kinetics = Arrhenius(A=(8.73,'cm^3/(mol*s)'), n=3.5, Ea=(-1667,'cal/mol'), T0=(1,'K'), Tmin=(750,'K'), Tmax=(1500,'K')), rank = 4, @@ -1679,7 +1679,7 @@ entry( index = 86, - label = "HCN_r + O_rad <=> CN_p + OH_p23", + label = "CHN + O <=> CN + HO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2e+08,'cm^3/(mol*s)'), n=1.47, Ea=(7550,'cal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2500,'K')), rank = 1, @@ -1693,7 +1693,7 @@ entry( index = 87, - label = "HCN_r + H <=> CN_p + H2_p", + label = "CHN + H <=> CN + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.8e+14,'cm^3/(mol*s)'), n=0, Ea=(24600,'cal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2500,'K')), rank = 1, @@ -1707,7 +1707,7 @@ entry( index = 88, - label = "HCN_r + OH <=> CN_p + H2O_p", + label = "CHN + HO <=> CN + H2O", degeneracy = 1.0, kinetics = Arrhenius(A=(3.8e+14,'cm^3/(mol*s)'), n=0, Ea=(24600,'cal/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2840,'K')), rank = 1, @@ -1721,7 +1721,7 @@ entry( index = 89, - label = "CH3SH_r1 + H <=> CH3S_p + H2_p", + label = "CH4S + H <=> CH3S + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.39e+08,'cm^3/(mol*s)'), n=1.729, Ea=(986,'cal/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(3000,'K')), rank = 4, @@ -1736,7 +1736,7 @@ entry( index = 90, - label = "CH3SH_r2 + H <=> CH2SH_p + H2_p", + label = "CH4S-2 + H <=> CH3S-2 + H2", degeneracy = 3.0, kinetics = Arrhenius(A=(4160,'cm^3/(mol*s)'), n=2.925, Ea=(4747,'cal/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(3000,'K')), rank = 4, @@ -1751,7 +1751,7 @@ entry( index = 91, - label = "NH2_r3 + C2H6 <=> NH3_p23 + C2H5b", + label = "H2N-2 + C2H6 <=> H3N-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(3.46e+13,'cm^3/(mol*s)'), n=0, Ea=(13800,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1766,7 +1766,7 @@ entry( index = 92, - label = "NH2_r3 + C3H8b <=> NH3_p23 + CH2CH2CH3", + label = "H2N-2 + C3H8-3 <=> H3N-2 + C3H7-3", degeneracy = 6.0, kinetics = Arrhenius(A=(1.37e+13,'cm^3/(mol*s)'), n=0, Ea=(10000,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1781,7 +1781,7 @@ entry( index = 93, - label = "NH2_r3 + C3H8 <=> NH3_p23 + CH3CHCH3", + label = "H2N-2 + C3H8 <=> H3N-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1.48e+13,'cm^3/(mol*s)'), n=0, Ea=(8533,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1796,7 +1796,7 @@ entry( index = 94, - label = "NH2_r3 + C4H10 <=> NH3_p23 + pC4H9", + label = "H2N-2 + C4H10-2 <=> H3N-2 + C4H9-2", degeneracy = 6.0, kinetics = Arrhenius(A=(2.11e+13,'cm^3/(mol*s)'), n=0, Ea=(9870,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1811,7 +1811,7 @@ entry( index = 95, - label = "NH2_r3 + C4H10b <=> NH3_p23 + CH3CHCH2CH3", + label = "H2N-2 + C4H10 <=> H3N-2 + C4H9", degeneracy = 4.0, kinetics = Arrhenius(A=(1.72e+13,'cm^3/(mol*s)'), n=0, Ea=(7770,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1826,7 +1826,7 @@ entry( index = 96, - label = "NH2_r3 + iC4H10 <=> NH3_p23 + ipC4H9", + label = "H2N-2 + C4H10-3 <=> H3N-2 + C4H9-3", degeneracy = 9.0, kinetics = Arrhenius(A=(1.84e+13,'cm^3/(mol*s)'), n=0, Ea=(10100,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1841,7 +1841,7 @@ entry( index = 97, - label = "NH2_r3 + iC4H10b <=> NH3_p23 + tC4H9", + label = "H2N-2 + C4H10-4 <=> H3N-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.35e+13,'cm^3/(mol*s)'), n=0, Ea=(6450,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1856,7 +1856,7 @@ entry( index = 98, - label = "NH2_r3 + C5H12 <=> NH3_p23 + tC5H11", + label = "H2N-2 + C5H12 <=> H3N-2 + C5H11", degeneracy = 1.0, kinetics = Arrhenius(A=(2.76e+12,'cm^3/(mol*s)'), n=0, Ea=(6450,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1871,7 +1871,7 @@ entry( index = 99, - label = "NH2_r3 + C3H6-3 <=> NH3_p23 + vC3H5", + label = "H2N-2 + C3H6-4 <=> H3N-2 + C3H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(1.42e+13,'cm^3/(mol*s)'), n=0, Ea=(11900,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1886,7 +1886,7 @@ entry( index = 100, - label = "NH2_r3 + C3H6 <=> NH3_p23 + CH2CHCH2", + label = "H2N-2 + C3H6 <=> H3N-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(6670,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1901,7 +1901,7 @@ entry( index = 101, - label = "NH2_r3 + C4H8-7 <=> NH3_p23 + pC4H7", + label = "H2N-2 + C4H8-8 <=> H3N-2 + C4H7-8", degeneracy = 3.0, kinetics = Arrhenius(A=(4.33e+13,'cm^3/(mol*s)'), n=0, Ea=(8700,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1916,7 +1916,7 @@ entry( index = 102, - label = "NH2_r3 + C4H8-2 <=> NH3_p23 + aC4H7", + label = "H2N-2 + C4H8-3 <=> H3N-2 + C4H7-3", degeneracy = 6.0, kinetics = Arrhenius(A=(1.37e+13,'cm^3/(mol*s)'), n=0, Ea=(8010,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1931,7 +1931,7 @@ entry( index = 103, - label = "NH2_r3 + C5H10-1 <=> NH3_p23 + C5H9-1", + label = "H2N-2 + C5H10 <=> H3N-2 + C5H9", degeneracy = 2.0, kinetics = Arrhenius(A=(6.14e+12,'cm^3/(mol*s)'), n=0, Ea=(5810,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1946,7 +1946,7 @@ entry( index = 104, - label = "NH2_r3 + C5H10-2 <=> NH3_p23 + C5H9-2", + label = "H2N-2 + C5H10-2 <=> H3N-2 + C5H9-2", degeneracy = 6.0, kinetics = Arrhenius(A=(1.54e+13,'cm^3/(mol*s)'), n=0, Ea=(9570,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1961,7 +1961,7 @@ entry( index = 105, - label = "NH2_r3 + C5H10-3 <=> NH3_p23 + C5H9-3", + label = "H2N-2 + C5H10-3 <=> H3N-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(4.87e+12,'cm^3/(mol*s)'), n=0, Ea=(5400,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1976,7 +1976,7 @@ entry( index = 106, - label = "NH2_r3 + C5H10-4 <=> NH3_p23 + C5H9-4", + label = "H2N-2 + C5H10-4 <=> H3N-2 + C5H9-4", degeneracy = 6.0, kinetics = Arrhenius(A=(1.13e+13,'cm^3/(mol*s)'), n=0, Ea=(7720,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -1991,7 +1991,7 @@ entry( index = 107, - label = "NH2_r3 + C2H4 <=> NH3_p23 + CHCH2", + label = "H2N-2 + C2H4-2 <=> H3N-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.56e+13,'cm^3/(mol*s)'), n=0, Ea=(13410,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -2006,7 +2006,7 @@ entry( index = 108, - label = "NH2_r3 + C4H6 <=> NH3_p23 + CHCCHCH3", + label = "H2N-2 + C4H6 <=> H3N-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(1.62e+13,'cm^3/(mol*s)'), n=0, Ea=(5975,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -2021,7 +2021,7 @@ entry( index = 109, - label = "NH2_r3 + C4H6-2 <=> NH3_p23 + C4H5-2", + label = "H2N-2 + C4H6-2 <=> H3N-2 + C4H5-2", degeneracy = 6.0, kinetics = Arrhenius(A=(9.94e+13,'cm^3/(mol*s)'), n=0, Ea=(8510,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -2036,7 +2036,7 @@ entry( index = 110, - label = "NH2_r3 + C5H8 <=> NH3_p23 + C5H7", + label = "H2N-2 + C5H8 <=> H3N-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(2.67e+14,'cm^3/(mol*s)'), n=0, Ea=(3270,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -2051,7 +2051,7 @@ entry( index = 111, - label = "CH3CH2NH2_1 + H <=> CH2CH2NH2 + H2", + label = "C2H7N + H <=> C2H6N + H2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(8174,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2065,7 +2065,7 @@ entry( index = 112, - label = "CH3CH2NH2_2 + H <=> CH3CHNH2 + H2", + label = "C2H7N-2 + H <=> C2H6N-2 + H2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.16e+13,'cm^3/(mol*s)'), n=0, Ea=(3585,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2079,7 +2079,7 @@ entry( index = 113, - label = "CH3CH2NH2_3 + H <=> CH3CH2NH + H2", + label = "C2H7N-3 + H <=> C2H6N-3 + H2", degeneracy = 2.0, kinetics = Arrhenius(A=(5.47e+12,'cm^3/(mol*s)'), n=0, Ea=(6907,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2093,7 +2093,7 @@ entry( index = 114, - label = "CH3CH2NH2_1 + CH3_r3 <=> CH2CH2NH2 + CH4", + label = "C2H7N + CH3-2 <=> C2H6N + CH4-2", degeneracy = 3.0, kinetics = Arrhenius(A=(6e+12,'cm^3/(mol*s)'), n=0, Ea=(12620,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2107,7 +2107,7 @@ entry( index = 115, - label = "CH3CH2NH2_2 + CH3_r3 <=> CH3CHNH2 + CH4", + label = "C2H7N-2 + CH3-2 <=> C2H6N-2 + CH4-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.23e+13,'cm^3/(mol*s)'), n=0, Ea=(7911,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2121,7 +2121,7 @@ entry( index = 116, - label = "CH3CH2NH2_3 + CH3_r3 <=> CH3CH2NH + CH4", + label = "C2H7N-3 + CH3-2 <=> C2H6N-3 + CH4-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.23e+12,'cm^3/(mol*s)'), n=0, Ea=(9441,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2135,7 +2135,7 @@ entry( index = 117, - label = "CH3CH2NH2_1 + NH2_r3 <=> CH2CH2NH2 + NH3_p23", + label = "C2H7N + H2N-2 <=> C2H6N + H3N-2", degeneracy = 3.0, kinetics = Arrhenius(A=(9.21e+12,'cm^3/(mol*s)'), n=0, Ea=(9393,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2149,7 +2149,7 @@ entry( index = 118, - label = "CH3CH2NH2_2 + NH2_r3 <=> CH3CHNH2 + NH3_p23", + label = "C2H7N-2 + H2N-2 <=> C2H6N-2 + H3N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(8.01e+12,'cm^3/(mol*s)'), n=0, Ea=(4493,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2163,7 +2163,7 @@ entry( index = 119, - label = "CH3CH2NH2_3 + NH2_r3 <=> CH3CH2NH + NH3_p23", + label = "C2H7N-3 + H2N-2 <=> C2H6N-3 + H3N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.14e+12,'cm^3/(mol*s)'), n=0, Ea=(5927,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2177,7 +2177,7 @@ entry( index = 120, - label = "CH3CH2NH2_1 + OH <=> CH2CH2NH2 + H2O", + label = "C2H7N + HO <=> C2H6N + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(794,'cm^3/(mol*s)'), n=2.97, Ea=(-1040,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2194,7 +2194,7 @@ entry( index = 121, - label = "CH3CH2NH2_2 + OH <=> CH3CHNH2 + H2O", + label = "C2H7N-2 + HO <=> C2H6N-2 + H2O", degeneracy = 2.0, kinetics = Arrhenius(A=(328000,'cm^3/(mol*s)'), n=2.24, Ea=(-3040,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2211,7 +2211,7 @@ entry( index = 122, - label = "CH3CH2NH2_3 + OH <=> CH3CH2NH + H2O", + label = "C2H7N-3 + HO <=> C2H6N-3 + H2O", degeneracy = 2.0, kinetics = Arrhenius(A=(112000,'cm^3/(mol*s)'), n=2.36, Ea=(-2860,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2228,7 +2228,7 @@ entry( index = 123, - label = "N2H4_r12 + H <=> N2H3_p1 + H2", + label = "H4N2 + H <=> H3N2 + H2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.48e+08,'cm^3/(mol*s)'), n=1.69, Ea=(4000,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2241,7 +2241,7 @@ entry( index = 124, - label = "N2H4_r12 + CH3_r3 <=> N2H3_p1 + CH4", + label = "H4N2 + CH3-2 <=> H3N2 + CH4-2", degeneracy = 4.0, kinetics = Arrhenius(A=(17.7,'cm^3/(mol*s)'), n=3.6, Ea=(3500,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2254,7 +2254,7 @@ entry( index = 125, - label = "N2H4_r12 + NH2_r3 <=> N2H3_p1 + NH3_p23", + label = "H4N2 + H2N-2 <=> H3N2 + H3N-2", degeneracy = 4.0, kinetics = Arrhenius(A=(2590,'cm^3/(mol*s)'), n=2.83, Ea=(700,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2267,7 +2267,7 @@ entry( index = 126, - label = "CH3CHNH_1 + H <=> CH2CHNH + H2", + label = "C2H5N + H <=> C2H4N + H2", degeneracy = 3.0, kinetics = Arrhenius(A=(39800,'cm^3/(mol*s)'), n=2.76, Ea=(4400,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2280,7 +2280,7 @@ entry( index = 127, - label = "CH3CHNH_2 + H <=> CH3CHN + H2", + label = "C2H5N-2 + H <=> C2H4N-2 + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.19e+07,'cm^3/(mol*s)'), n=1.96, Ea=(2400,'cal/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(2000,'K')), rank = 5, @@ -2293,7 +2293,7 @@ entry( index = 128, - label = "NH_r3 + CH4b <=> NH2_p23 + CH3_p1", + label = "HN-2 + CH4 <=> H2N-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)','*|/',1.5), n=0, Ea=(84,'kJ/mol','+|-',5), T0=(1,'K'), Tmin=(1150,'K'), Tmax=(1500,'K')), rank = 1, @@ -2311,7 +2311,7 @@ entry( index = 129, - label = "NH_r3 + C2H6 <=> NH2_p23 + C2H5b", + label = "HN-2 + C2H6 <=> H2N-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(7e+13,'cm^3/(mol*s)','*|/',1.75), n=0, Ea=(70,'kJ/mol','+|-',5), T0=(1,'K'), Tmin=(1150,'K'), Tmax=(1500,'K')), rank = 1, @@ -2329,7 +2329,7 @@ entry( index = 130, - label = "NH_r3 + HNCO <=> NH2_p23 + NCO", + label = "HN-2 + CHNO <=> H2N-3 + CNO", degeneracy = 1.0, kinetics = Arrhenius(A=(6.26e+12,'cm^3/(mol*s)'), n=1.82, Ea=(99.82,'kJ/mol'), T0=(1,'K'), Tmin=(1000,'K'), Tmax=(3000,'K')), rank = 5, @@ -2346,22 +2346,7 @@ entry( index = 131, - label = "Cl + CH4b <=> HCl + CH3_p23", - degeneracy = 4.0, - kinetics = Arrhenius(A=(1.36534e-19,'cm^3/(molecule*s)'), n=2.6, Ea=(3201.07,'J/mol'), T0=(1,'K')), - rank = 1, - shortDesc = """Cl + CH4 <=> HCl + CH3""", - longDesc = -""" -Kinetics of Cl atom reactions with methane, ethane, and propane from 292 to 800 K -J. S. Pilgrim, A. McIlroy, and C. A. Taatjes, J. Phys. Chem. A 101, 1873 (1997) -PLP-LIF Measurement from 292-800 K -""", -) - -entry( - index = 132, - label = "Cl + C2H6 <=> HCl + C2H5", + label = "Cl + C2H6 <=> ClH + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(7.23e-13,'cm^3/(molecule*s)'), n=0.7, Ea=(-972.793,'J/mol'), T0=(1,'K')), rank = 1, @@ -2375,8 +2360,8 @@ ) entry( - index = 133, - label = "Cl + C3H8b <=> HCl + C3H7-2", + index = 132, + label = "Cl + C3H8-3 <=> ClH + C3H7-3", degeneracy = 6.0, kinetics = Arrhenius(A=(8.26e-11,'cm^3/(molecule*s)'), n=0, Ea=(748.302,'J/mol'), T0=(1,'K')), rank = 1, @@ -2389,8 +2374,8 @@ ) entry( - index = 134, - label = "Cl + C3H8 <=> HCl + C3H7", + index = 133, + label = "Cl + C3H8 <=> ClH + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(6.02e-11,'cm^3/(molecule*s)'), n=0, Ea=(-623.585,'J/mol'), T0=(1,'K')), rank = 1, @@ -2403,8 +2388,8 @@ ) entry( - index = 135, - label = "Cl + C4H10 <=> HCl + C4H9", + index = 134, + label = "Cl + C4H10-2 <=> ClH + C4H9-2", degeneracy = 6.0, kinetics = Arrhenius(A=(9.02e-11,'cm^3/(molecule*s)'), n=0, Ea=(997.737,'J/mol'), T0=(1,'K')), rank = 1, @@ -2417,8 +2402,8 @@ ) entry( - index = 136, - label = "Cl + C4H10b <=> HCl + C4H9-2", + index = 135, + label = "Cl + C4H10 <=> ClH + C4H9", degeneracy = 4.0, kinetics = Arrhenius(A=(1.21e-10,'cm^3/(molecule*s)'), n=0, Ea=(-457.296,'J/mol'), T0=(1,'K')), rank = 1, @@ -2431,8 +2416,8 @@ ) entry( - index = 137, - label = "Cl + CH2O <=> HCl + HCO_r3", + index = 136, + label = "Cl + CH2O <=> ClH + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(8.1e-11,'cm^3/(molecule*s)'), n=0, Ea=(282.692,'J/mol'), T0=(1,'K')), rank = 1, @@ -2445,8 +2430,8 @@ ) entry( - index = 138, - label = "Cl + C2H4O <=> HCl + C2H3O", + index = 137, + label = "Cl + C2H4O <=> ClH + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(8e-11,'cm^3/(molecule*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), rank = 1, @@ -2459,8 +2444,8 @@ ) entry( - index = 139, - label = "Cl + C3H6O-3 <=> HCl + C3H5O-3", + index = 138, + label = "Cl + C3H6O-4 <=> ClH + C3H5O-4", degeneracy = 6.0, kinetics = Arrhenius(A=(1.5e-11,'cm^3/(molecule*s)'), n=0, Ea=(4905.54,'J/mol'), T0=(1,'K')), rank = 1, @@ -2473,8 +2458,8 @@ ) entry( - index = 140, - label = "Cl + CH4O <=> HCl + CH3O", + index = 139, + label = "Cl + CH4O <=> ClH + CH3O", degeneracy = 3.0, kinetics = Arrhenius(A=(7.1e-11,'cm^3/(molecule*s)'), n=0, Ea=(623.585,'J/mol'), T0=(1,'K')), rank = 1, @@ -2487,23 +2472,8 @@ ) entry( - index = 141, - label = "Cl + CH4O-2 <=> HCl + CH3O-2", - degeneracy = 1.0, - kinetics = Arrhenius(A=(9.65431e-19,'cm^3/(molecule*s)'), n=2.5, Ea=(30470,'J/mol'), T0=(1,'K')), - rank = 5, - shortDesc = """Cl + CH3OH <=> HCl + CH3O""", - longDesc = -""" -Theoretical study of the kinetics of the hydrogen abstraction from methanol. 2. Reaction of methanol with chlorine and bromine atoms -Jodkowski, J.T.; Rayez, M-T.; Rayez, J-C.; Berces, T.; Dobe, S., JPCA, 102, 9230-9243, 1998 -300-1000 K, Theoretical Predictions -""", -) - -entry( - index = 142, - label = "Cl + C2H6O <=> HCl + C2H5O", + index = 140, + label = "Cl + C2H6O <=> ClH + C2H5O", degeneracy = 2.0, kinetics = Arrhenius(A=(1.44e-10,'cm^3/(molecule*s)'), n=-0.089, Ea=(-374.151,'J/mol'), T0=(1,'K')), rank = 1, @@ -2517,8 +2487,8 @@ ) entry( - index = 143, - label = "Cl + C2H6O-2 <=> HCl + C2H5O-2", + index = 141, + label = "Cl + C2H6O-2 <=> ClH + C2H5O-2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.13e-13,'cm^3/(molecule*s)'), n=0.7494, Ea=(-374.151,'J/mol'), T0=(1,'K')), rank = 1, @@ -2532,53 +2502,8 @@ ) entry( - index = 144, - label = "Cl + H2O <=> HCl + OH", - degeneracy = 2.0, - kinetics = Arrhenius(A=(2.79e-11,'cm^3/(molecule*s)'), n=0, Ea=(72086.5,'J/mol'), T0=(1,'K')), - rank = 5, - shortDesc = """Cl + H2O <=> HCl + OH""", - longDesc = -""" -Evaluated kinetic data for high temperature reactions. Volume 4 Homogeneous gas phase reactions of halogen- and cyanide- containing species -Baulch, D.L.; Duxbury, J.; Grant, S.J.; Montague, D.C., J. Phys. Chem. Ref. Data, 10, 1981. -210-500 K -""", -) - -entry( - index = 145, - label = "Cl + H2O2 <=> HCl + HO2_r3", - degeneracy = 2.0, - kinetics = Arrhenius(A=(1.1e-11,'cm^3/(molecule*s)'), n=0, Ea=(8148.18,'J/mol'), T0=(1,'K')), - rank = 1, - shortDesc = """Cl + H2O2 <=> HCl + HO2""", - longDesc = -""" -Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III - gas phase reactions of inorganic halogens -Atkinson, R.;Baulch, D.L.;Cox, R.A.;Crowley, J.N.;Hampson, R.F.;Hynes, R.G.;Jenkin, M.E.;Rossi, M.J.;Troe, J., Atmos. Chem. Phys., 7, 981-1191, 2007 -260-430 K -""", -) - -entry( - index = 146, - label = "Cl + H2 <=> HCl + H", - degeneracy = 2.0, - kinetics = Arrhenius(A=(4.59e-16,'cm^3/(molecule*s)'), n=1.588, Ea=(13984.9,'J/mol'), T0=(1,'K')), - rank = 1, - shortDesc = """Cl + H2 <=> HCl + H""", - longDesc = -""" -Thermal rate constants for the Cl+H2 and Cl+D2 reactions between 296 and 3000 K -Kumaran, S.S.; Lim, K.P.; Michael, J.V., J. Chem. Phys., 101, 9487 - 9498, 1994 -200-2950 K, from fit to experimental data -""", -) - -entry( - index = 147, - label = "Cl + C5H10O2 <=> HCl + C5H9O2", + index = 142, + label = "Cl + C5H10O2 <=> ClH + C5H9O2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.24e-11,'cm^3/(molecule*s)'), n=0, Ea=(2500.16,'J/mol'), T0=(1,'K')), rank = 1, @@ -2592,8 +2517,8 @@ ) entry( - index = 148, - label = "Cl + C5H10O2-2 <=> HCl + C5H9O2-2", + index = 143, + label = "Cl + C5H10O2-2 <=> ClH + C5H9O2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.32e-10,'cm^3/(molecule*s)'), n=0, Ea=(1249.67,'J/mol'), T0=(1,'K')), rank = 1, @@ -2607,8 +2532,8 @@ ) entry( - index = 149, - label = "Cl + C5H10O2-3 <=> HCl + C5H9O2-3", + index = 144, + label = "Cl + C5H10O2-3 <=> ClH + C5H9O2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1.05e-11,'cm^3/(molecule*s)'), n=0, Ea=(1249.67,'J/mol'), T0=(1,'K')), rank = 5, @@ -2622,8 +2547,8 @@ ) entry( - index = 150, - label = "Cl + C5H12-2 <=> HCl + C5H11", + index = 145, + label = "Cl + C5H12-2 <=> ClH + C5H11-2", degeneracy = 12.0, kinetics = Arrhenius(A=(2.79e-10,'cm^3/(molecule*s)'), n=0, Ea=(3849.6,'J/mol'), T0=(1,'K')), rank = 1, @@ -2637,8 +2562,8 @@ ) entry( - index = 151, - label = "Cl + C3H4-1 <=> HCl + C3H3", + index = 146, + label = "Cl + C3H4 <=> ClH + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(1.40759e-16,'cm^3/(molecule*s)'), n=2, Ea=(4400.02,'J/mol'), T0=(1,'K')), rank = 1, @@ -2652,8 +2577,8 @@ ) entry( - index = 152, - label = "Cl + C5H10 <=> HCl + C5H9", + index = 147, + label = "Cl + C5H10-5 <=> ClH + C5H9-5", degeneracy = 10.0, kinetics = Arrhenius(A=(4.87e-10,'cm^3/(molecule*s)'), n=0, Ea=(2419.51,'J/mol'), T0=(1,'K')), rank = 1, @@ -2667,8 +2592,8 @@ ) entry( - index = 153, - label = "Cl + C4H8-8 <=> HCl + C4H7-6", + index = 148, + label = "Cl + C4H8-9 <=> ClH + C4H7-9", degeneracy = 8.0, kinetics = Arrhenius(A=(4.25e-10,'cm^3/(molecule*s)'), n=0, Ea=(3449.67,'J/mol'), T0=(1,'K')), rank = 1, @@ -2682,8 +2607,8 @@ ) entry( - index = 154, - label = "Cl + C4H8O2 <=> HCl + C4H7O2", + index = 149, + label = "Cl + C4H8O2 <=> ClH + C4H7O2", degeneracy = 8.0, kinetics = Arrhenius(A=(2.27e-10,'cm^3/(molecule*s)'), n=0, Ea=(300.152,'J/mol'), T0=(1,'K')), rank = 5, @@ -2697,8 +2622,8 @@ ) entry( - index = 155, - label = "Cl + C6H12O2 <=> HCl + C6H11O2", + index = 150, + label = "Cl + C6H12O2 <=> ClH + C6H11O2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.32e-11,'cm^3/(molecule*s)'), n=0, Ea=(2930.02,'J/mol'), T0=(1,'K')), rank = 1, @@ -2712,8 +2637,8 @@ ) entry( - index = 156, - label = "Cl + C6H12O2-2 <=> HCl + C6H11O2-2", + index = 151, + label = "Cl + C6H12O2-2 <=> ClH + C6H11O2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.32e-11,'cm^3/(molecule*s)'), n=0, Ea=(1249.67,'J/mol'), T0=(1,'K')), rank = 1, @@ -2727,8 +2652,8 @@ ) entry( - index = 157, - label = "Cl + C6H12O2-3 <=> HCl + C6H11O2-3", + index = 152, + label = "Cl + C6H12O2-3 <=> ClH + C6H11O2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(2.62e-11,'cm^3/(molecule*s)'), n=0, Ea=(2089.43,'J/mol'), T0=(1,'K')), rank = 1, @@ -2742,8 +2667,8 @@ ) entry( - index = 158, - label = "Cl + C6H12O2-4 <=> HCl + C6H11O2-4", + index = 153, + label = "Cl + C6H12O2-4 <=> ClH + C6H11O2-4", degeneracy = 2.0, kinetics = Arrhenius(A=(1.66e-12,'cm^3/(molecule*s)'), n=0, Ea=(3759.8,'J/mol'), T0=(1,'K')), rank = 1, @@ -2757,8 +2682,8 @@ ) entry( - index = 159, - label = "Cl + C2H6O-3 <=> HCl + C2H5O-3", + index = 154, + label = "Cl + C2H6O-3 <=> ClH + C2H5O-3", degeneracy = 6.0, kinetics = Arrhenius(A=(1.76e-10,'cm^3/(molecule*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), rank = 1, @@ -2772,8 +2697,8 @@ ) entry( - index = 160, - label = "Cl + C3H6 <=> HCl + C3H5", + index = 155, + label = "Cl + C3H6 <=> ClH + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(4.9e-11,'cm^3/(molecule*s)'), n=0, Ea=(748.302,'J/mol'), T0=(1,'K')), rank = 1, @@ -2787,8 +2712,8 @@ ) entry( - index = 161, - label = "Cl + C6H12 <=> HCl + C6H11", + index = 156, + label = "Cl + C6H12 <=> ClH + C6H11", degeneracy = 12.0, kinetics = Arrhenius(A=(2.41e-10,'cm^3/(molecule*s)'), n=0, Ea=(0,'J/mol'), T0=(1,'K')), rank = 1, @@ -2802,8 +2727,8 @@ ) entry( - index = 162, - label = "Cl + C7H8 <=> HCl + C7H7", + index = 157, + label = "Cl + C7H8 <=> ClH + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(1.59e-12,'cm^3/(molecule*s)'), n=1.073, Ea=(6406.3,'J/mol'), T0=(1,'K')), rank = 5, @@ -2817,8 +2742,8 @@ ) entry( - index = 163, - label = "Cl + C7H8-2 <=> HCl + C7H7-2", + index = 158, + label = "Cl + C7H8-2 <=> ClH + C7H7-2", degeneracy = 2.0, kinetics = Arrhenius(A=(6.88e-45,'cm^3/(molecule*s)'), n=10.876, Ea=(-22746.7,'J/mol'), T0=(1,'K')), rank = 5, @@ -2832,8 +2757,8 @@ ) entry( - index = 164, - label = "Cl + C7H8-3 <=> HCl + C7H7-3", + index = 159, + label = "Cl + C7H8-3 <=> ClH + C7H7-3", degeneracy = 2.0, kinetics = Arrhenius(A=(4.98e-43,'cm^3/(molecule*s)'), n=10.407, Ea=(-20733.8,'J/mol'), T0=(1,'K')), rank = 5, @@ -2847,8 +2772,8 @@ ) entry( - index = 165, - label = "Cl + C7H8-4 <=> HCl + C7H7-4", + index = 160, + label = "Cl + C7H8-4 <=> ClH + C7H7-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.75e-27,'cm^3/(molecule*s)'), n=5.626, Ea=(-1163.19,'J/mol'), T0=(1,'K')), rank = 5, @@ -2862,8 +2787,8 @@ ) entry( - index = 166, - label = "Cl + iC4H10 <=> HCl + C4H9-3", + index = 161, + label = "Cl + C4H10-3 <=> ClH + C4H9-3", degeneracy = 9.0, kinetics = Arrhenius(A=(1.94e-10,'cm^3/(molecule*s)'), n=0, Ea=(3429.72,'J/mol'), T0=(1,'K')), rank = 1, @@ -2877,8 +2802,8 @@ ) entry( - index = 167, - label = "Cl + iC4H10b <=> HCl + C4H9-4", + index = 162, + label = "Cl + C4H10-4 <=> ClH + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(2.82e-11,'cm^3/(molecule*s)'), n=0, Ea=(79.8189,'J/mol'), T0=(1,'K')), rank = 1, @@ -2892,8 +2817,8 @@ ) entry( - index = 168, - label = "Cl + C3H6-4 <=> HCl + C3H5-3", + index = 163, + label = "Cl + C3H6-5 <=> ClH + C3H5-5", degeneracy = 6.0, kinetics = Arrhenius(A=(8.97e-11,'cm^3/(molecule*s)'), n=0, Ea=(17289.9,'J/mol'), T0=(1,'K')), rank = 1, @@ -2907,8 +2832,8 @@ ) entry( - index = 169, - label = "Cl + C3H4 <=> HCl + C3H3-2", + index = 164, + label = "Cl + C3H4-2 <=> ClH + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.41e-17,'cm^3/(molecule*s)'), n=2, Ea=(4159.73,'J/mol'), T0=(1,'K')), rank = 1, @@ -2922,8 +2847,8 @@ ) entry( - index = 170, - label = "Cl + C2H4 <=> HCl + C2H3", + index = 165, + label = "Cl + C2H4-2 <=> ClH + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(6.19e-11,'cm^3/(molecule*s)'), n=0, Ea=(28269.2,'J/mol'), T0=(1,'K')), rank = 1, @@ -2937,8 +2862,8 @@ ) entry( - index = 171, - label = "Cl + C6H6 <=> HCl + C6H5", + index = 166, + label = "Cl + C6H6 <=> ClH + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(6.1e-11,'cm^3/(molecule*s)'), n=0, Ea=(31600,'J/mol'), T0=(1,'K')), rank = 1, @@ -2952,8 +2877,8 @@ ) entry( - index = 172, - label = "Cl + C8H10 <=> HCl + C8H9", + index = 167, + label = "Cl + C8H10 <=> ClH + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(1.06e-12,'cm^3/(molecule*s)'), n=1.073, Ea=(6406.3,'J/mol'), T0=(1,'K')), rank = 5, @@ -2968,8 +2893,8 @@ ) entry( - index = 173, - label = "Cl + C9H12 <=> HCl + C9H11", + index = 168, + label = "Cl + C9H12 <=> ClH + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(5.3e-13,'cm^3/(molecule*s)'), n=1.073, Ea=(6406.3,'J/mol'), T0=(1,'K')), rank = 5, @@ -2984,8 +2909,8 @@ ) entry( - index = 174, - label = "C3H6-3 + C6H5 <=> C6H6 + C3H5-4", + index = 169, + label = "C3H6-4 + C6H5-2 <=> C6H6-2 + C3H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00551,'cm^3/(mol*s)'), n=4.401, Ea=(4.745,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -2997,8 +2922,8 @@ ) entry( - index = 175, - label = "C3H6-2 + C6H5 <=> C6H6 + C3H5-2", + index = 170, + label = "C3H6-6 + C6H5-2 <=> C6H6-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.06725,'cm^3/(mol*s)'), n=4.149, Ea=(3.361,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3010,8 +2935,8 @@ ) entry( - index = 176, - label = "C3H6 + C6H5 <=> C6H6 + C3H5", + index = 171, + label = "C3H6 + C6H5-2 <=> C6H6-2 + C3H5", degeneracy = 1.0, kinetics = Arrhenius(A=(0.2601,'cm^3/(mol*s)'), n=4.002, Ea=(1.735,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3023,8 +2948,8 @@ ) entry( - index = 177, - label = "C4H6-3 + C2H3 <=> C2H4 + C4H5", + index = 172, + label = "C4H6-3 + C2H3 <=> C2H4 + C4H5-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0003437,'cm^3/(mol*s)'), n=4.732, Ea=(6.579,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3036,8 +2961,8 @@ ) entry( - index = 178, - label = "C4H6-4 + C2H3 <=> C2H4 + C4H5-3", + index = 173, + label = "C4H6-4 + C2H3 <=> C2H4 + C4H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000621,'cm^3/(mol*s)'), n=4.814, Ea=(4.902,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3049,8 +2974,8 @@ ) entry( - index = 179, - label = "C4H6-4 + C6H5 <=> C6H6 + C4H5-3", + index = 174, + label = "C4H6-4 + C6H5-2 <=> C6H6-2 + C4H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(8710,'cm^3/(mol*s)'), n=3.12, Ea=(8.1,'kJ/mol'), T0=(1,'K')), rank = 5, @@ -3062,8 +2987,8 @@ ) entry( - index = 180, - label = "C4H6-3 + C6H5 <=> C6H6 + C4H5", + index = 175, + label = "C4H6-3 + C6H5-2 <=> C6H6-2 + C4H5-3", degeneracy = 1.0, kinetics = Arrhenius(A=(31600,'cm^3/(mol*s)'), n=3.11, Ea=(16.7,'kJ/mol'), T0=(1,'K')), rank = 5, @@ -3075,8 +3000,8 @@ ) entry( - index = 181, - label = "C6H6 + CH3_r3 <=> CH4p + C6H5_p1", + index = 176, + label = "C6H6 + CH3-2 <=> CH4-2 + C6H5", degeneracy = 1.0, kinetics = Arrhenius(A=(5151,'cm^3/(mol*s)'), n=2.896, Ea=(15.308,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3088,7 +3013,7 @@ ) entry( - index = 182, + index = 177, label = "C7H8 + H <=> H2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(75372.2,'cm^3/(mol*s)'), n=2.57378, Ea=(3145.75,'cal/mol'), T0=(1,'K')), @@ -3109,7 +3034,7 @@ ) entry( - index = 183, + index = 178, label = "C7H8-2 + H <=> H2 + C7H7-2", degeneracy = 2.0, kinetics = Arrhenius(A=(281049,'cm^3/(mol*s)'), n=2.41207, Ea=(8837.35,'cal/mol'), T0=(1,'K')), @@ -3130,7 +3055,7 @@ ) entry( - index = 184, + index = 179, label = "C9H8 + H <=> H2 + C9H7", degeneracy = 1.0, kinetics = Arrhenius(A=(5.54e+07,'cm^3/(mol*s)'), n=1.901, Ea=(15.418,'kcal/mol'), T0=(1,'K')), @@ -3143,7 +3068,7 @@ ) entry( - index = 185, + index = 180, label = "C9H8-2 + H <=> H2 + C9H7-2", degeneracy = 1.0, kinetics = Arrhenius(A=(6.725e+07,'cm^3/(mol*s)'), n=1.892, Ea=(16.619,'kcal/mol'), T0=(1,'K')), @@ -3156,8 +3081,8 @@ ) entry( - index = 186, - label = "CH4b + H <=> CH3_p1 + H2_p", + index = 181, + label = "CH4 + H <=> CH3 + H2", degeneracy = 4.0, kinetics = Arrhenius(A=(4100,'cm^3/(mol*s)'), n=3.156, Ea=(8755,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3165,8 +3090,8 @@ ) entry( - index = 187, - label = "CH4b + O_rad <=> CH3_p1 + OH_p23", + index = 182, + label = "CH4 + O <=> CH3 + HO-2", degeneracy = 4.0, kinetics = Arrhenius(A=(440000,'cm^3/(mol*s)'), n=2.5, Ea=(6577,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3174,8 +3099,8 @@ ) entry( - index = 188, - label = "CH4b + OH <=> CH3_p1 + H2O_p", + index = 183, + label = "CH4 + HO <=> CH3 + H2O", degeneracy = 4.0, kinetics = Arrhenius(A=(1e+06,'cm^3/(mol*s)'), n=2.182, Ea=(2506,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3183,8 +3108,8 @@ ) entry( - index = 189, - label = "CH4b + HO2_r3 <=> CH3_p1 + H2O2_p13", + index = 184, + label = "CH4 + HO2-2 <=> CH3 + H2O2-2", degeneracy = 4.0, kinetics = Arrhenius(A=(47000,'cm^3/(mol*s)'), n=2.5, Ea=(21000,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3192,8 +3117,8 @@ ) entry( - index = 190, - label = "CH4b + O2 <=> CH3_p1 + HO2", + index = 185, + label = "CH4 + O2 <=> CH3 + HO2-3", degeneracy = 8.0, kinetics = Arrhenius(A=(203000,'cm^3/(mol*s)'), n=2.745, Ea=(51714,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3201,8 +3126,8 @@ ) entry( - index = 191, - label = "CH4O + H <=> CH2OH_p + H2_p", + index = 186, + label = "CH4O + H <=> CH3O + H2", degeneracy = 3.0, kinetics = Arrhenius(A=(66000,'cm^3/(mol*s)'), n=2.728, Ea=(4449,'cal/mol'), T0=(1,'K')), rank = 4, @@ -3210,8 +3135,8 @@ ) entry( - index = 192, - label = "CH4O-2 + H <=> CH3O_p + H2_p", + index = 187, + label = "CH4O-2 + H <=> CH3O-2 + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(41000,'cm^3/(mol*s)'), n=2.658, Ea=(9221,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3219,8 +3144,8 @@ ) entry( - index = 193, - label = "CH4O + O_rad <=> CH2OH_p + OH_p23", + index = 188, + label = "CH4O + O <=> CH3O + HO-2", degeneracy = 3.0, kinetics = Arrhenius(A=(2.1e+13,'cm^3/(mol*s)'), n=0, Ea=(5305,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3228,8 +3153,8 @@ ) entry( - index = 194, - label = "CH4O-2 + O_rad <=> CH3O_p + OH_p23", + index = 189, + label = "CH4O-2 + O <=> CH3O-2 + HO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.7e+12,'cm^3/(mol*s)'), n=0, Ea=(5305,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3237,8 +3162,8 @@ ) entry( - index = 195, - label = "CH4O + OH <=> CH2OH_p + H2O_p", + index = 190, + label = "CH4O + HO <=> CH3O + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(1.5e+08,'cm^3/(mol*s)'), n=1.4434, Ea=(113,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3246,8 +3171,8 @@ ) entry( - index = 196, - label = "CH4O-2 + OH <=> CH3O_p + H2O_p", + index = 191, + label = "CH4O-2 + HO <=> CH3O-2 + H2O", degeneracy = 1.0, kinetics = Arrhenius(A=(2.7e+07,'cm^3/(mol*s)'), n=1.4434, Ea=(113,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3255,8 +3180,8 @@ ) entry( - index = 197, - label = "CH4O + HO2_r3 <=> CH2OH_p + H2O2_p13", + index = 192, + label = "CH4O + HO2-2 <=> CH3O + H2O2-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00035,'cm^3/(mol*s)'), n=4.85, Ea=(10346,'cal/mol'), T0=(1,'K'), Tmin=(100,'K'), Tmax=(3000,'K')), rank = 4, @@ -3264,8 +3189,8 @@ ) entry( - index = 198, - label = "CH4O-2 + HO2_r3 <=> CH3O_p + H2O2_p13", + index = 193, + label = "CH4O-2 + HO2-2 <=> CH3O-2 + H2O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0015,'cm^3/(mol*s)'), n=4.61, Ea=(15828,'cal/mol'), T0=(1,'K')), rank = 4, @@ -3273,8 +3198,8 @@ ) entry( - index = 199, - label = "CH4O + O2 <=> CH2OH_p + HO2", + index = 194, + label = "CH4O + O2 <=> CH3O + HO2-3", degeneracy = 6.0, kinetics = Arrhenius(A=(360000,'cm^3/(mol*s)'), n=2.27, Ea=(42760,'cal/mol'), T0=(1,'K')), rank = 4, @@ -3282,8 +3207,8 @@ ) entry( - index = 200, - label = "CH3O-2 + HO2_r12 <=> CH3OH_p + O2", + index = 195, + label = "CH3O-3 + HO2-4 <=> CH4O-3 + O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.4e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3291,8 +3216,8 @@ ) entry( - index = 201, - label = "CH4O + CH3_r3 <=> CH2OH_p + CH4", + index = 196, + label = "CH4O + CH3-2 <=> CH3O + CH4-2", degeneracy = 3.0, kinetics = Arrhenius(A=(2.19e-07,'cm^3/(mol*s)'), n=5.58, Ea=(3896.3,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3300,8 +3225,8 @@ ) entry( - index = 202, - label = "CH3OOH_rC + H <=> CH2OOH_p + H2_p", + index = 197, + label = "CH4O2-2 + H <=> CH3O2-2 + H2", degeneracy = 3.0, kinetics = Arrhenius(A=(5.4e+10,'cm^3/(mol*s)'), n=0, Ea=(1860,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3309,8 +3234,8 @@ ) entry( - index = 203, - label = "CH4O2 + H <=> CH3OO_p + H2_p", + index = 198, + label = "CH4O2-3 + H <=> CH3O2-3 + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(5.4e+10,'cm^3/(mol*s)'), n=0, Ea=(1860,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3318,8 +3243,8 @@ ) entry( - index = 204, - label = "CH3OOH_rC + O_rad <=> CH2OOH_p + OH_p23", + index = 199, + label = "CH4O2-2 + O <=> CH3O2-2 + HO-2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(4750,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3327,8 +3252,8 @@ ) entry( - index = 205, - label = "CH4O2 + O_rad <=> CH3OO_p + OH_p23", + index = 200, + label = "CH4O2-3 + O <=> CH3O2-3 + HO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(8.7e+12,'cm^3/(mol*s)'), n=0, Ea=(4750,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3336,8 +3261,8 @@ ) entry( - index = 206, - label = "CH4O2 + OH <=> CH3OO_p + H2O_p", + index = 201, + label = "CH4O2-3 + HO <=> CH3O2-3 + H2O", degeneracy = 1.0, kinetics = Arrhenius(A=(1.1e+12,'cm^3/(mol*s)'), n=0, Ea=(-437,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3345,8 +3270,8 @@ ) entry( - index = 207, - label = "CH3OOH_rC + OH <=> CH2OOH_p + H2O_p", + index = 202, + label = "CH4O2-2 + HO <=> CH3O2-2 + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(7.2e+11,'cm^3/(mol*s)'), n=0, Ea=(-258,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3354,8 +3279,8 @@ ) entry( - index = 208, - label = "CH4O2 + HO2_r3 <=> CH3OO_p + H2O2_p13", + index = 203, + label = "CH4O2-3 + HO2-2 <=> CH3O2-3 + H2O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(41000,'cm^3/(mol*s)'), n=2.5, Ea=(10206,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3363,8 +3288,8 @@ ) entry( - index = 209, - label = "CH3O2 + CH4b <=> CH3OOH_p + CH3_p1", + index = 204, + label = "CH3O2 + CH4 <=> CH4O2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00445,'cm^3/(mol*s)'), n=4.691, Ea=(19868,'cal/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(2000,'K')), rank = 1, @@ -3372,8 +3297,8 @@ ) entry( - index = 210, - label = "C2H6 + H <=> C2H5b + H2_p", + index = 205, + label = "C2H6 + H <=> C2H5 + H2", degeneracy = 6.0, kinetics = Arrhenius(A=(1.15e+08,'cm^3/(mol*s)'), n=1.9, Ea=(7530,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3392,8 +3317,8 @@ ) entry( - index = 211, - label = "C2H6 + O_rad <=> C2H5b + OH_p23", + index = 206, + label = "C2H6 + O <=> C2H5 + HO-2", degeneracy = 6.0, kinetics = Arrhenius(A=(180000,'cm^3/(mol*s)'), n=2.8, Ea=(5800,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3401,8 +3326,8 @@ ) entry( - index = 212, - label = "C2H6 + OH <=> C2H5b + H2O_p", + index = 207, + label = "C2H6 + HO <=> C2H5 + H2O", degeneracy = 6.0, kinetics = Arrhenius(A=(1.61e+06,'cm^3/(mol*s)'), n=2.224, Ea=(740.73,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3410,8 +3335,8 @@ ) entry( - index = 213, - label = "C2H6 + HO2_r3 <=> C2H5b + H2O2_p13", + index = 208, + label = "C2H6 + HO2-2 <=> C2H5 + H2O2-2", degeneracy = 6.0, kinetics = Arrhenius(A=(26,'cm^3/(mol*s)'), n=3.37, Ea=(15900,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3419,8 +3344,8 @@ ) entry( - index = 214, - label = "C2H6 + O2 <=> C2H5b + HO2", + index = 209, + label = "C2H6 + O2 <=> C2H5 + HO2-3", degeneracy = 12.0, kinetics = Arrhenius(A=(2.92e+07,'cm^3/(mol*s)'), n=1.9, Ea=(49548,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3428,8 +3353,8 @@ ) entry( - index = 215, - label = "C2H6 + CH3_r3 <=> C2H5b + CH4", + index = 210, + label = "C2H6 + CH3-2 <=> C2H5 + CH4-2", degeneracy = 6.0, kinetics = Arrhenius(A=(35,'cm^3/(mol*s)'), n=3.44, Ea=(10384,'cal/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 1, @@ -3437,8 +3362,8 @@ ) entry( - index = 216, - label = "CH3O2 + C2H6 <=> CH3OOH_p + C2H5b", + index = 211, + label = "CH3O2 + C2H6 <=> CH4O2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(19,'cm^3/(mol*s)'), n=3.64, Ea=(17100,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3446,8 +3371,8 @@ ) entry( - index = 217, - label = "C2H4 + H <=> C2H3_p + H2_p", + index = 212, + label = "C2H4-2 + H <=> C2H3-2 + H2", degeneracy = 4.0, kinetics = Arrhenius(A=(240,'cm^3/(mol*s)'), n=3.62, Ea=(11266,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3455,8 +3380,8 @@ ) entry( - index = 218, - label = "C2H4 + OH <=> C2H3_p + H2O_p", + index = 213, + label = "C2H4-2 + HO <=> C2H3-2 + H2O", degeneracy = 4.0, kinetics = Arrhenius(A=(0.13,'cm^3/(mol*s)'), n=4.2, Ea=(-860,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3464,8 +3389,8 @@ ) entry( - index = 219, - label = "C2H4 + O2 <=> C2H3_p + HO2", + index = 214, + label = "C2H4-2 + O2 <=> C2H3-2 + HO2-3", degeneracy = 8.0, kinetics = Arrhenius(A=(7.1e+13,'cm^3/(mol*s)'), n=0, Ea=(60010,'cal/mol'), T0=(1,'K')), rank = 4, @@ -3473,8 +3398,8 @@ ) entry( - index = 220, - label = "C2H6O + H <=> CH3CHOH_p + H2_p", + index = 215, + label = "C2H6O + H <=> C2H5O + H2", degeneracy = 2.0, kinetics = Arrhenius(A=(8800,'cm^3/(mol*s)'), n=2.68, Ea=(2913,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3482,8 +3407,8 @@ ) entry( - index = 221, - label = "C2H6O-2 + H <=> CH2CH2OH_p + H2_p", + index = 216, + label = "C2H6O-2 + H <=> C2H5O-2 + H2", degeneracy = 3.0, kinetics = Arrhenius(A=(5300,'cm^3/(mol*s)'), n=2.81, Ea=(7491,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3491,8 +3416,8 @@ ) entry( - index = 222, - label = "CH3CH2OH_rO + H <=> CH3CH2O_p + H2_p", + index = 217, + label = "C2H6O-4 + H <=> C2H5O-4 + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(950,'cm^3/(mol*s)'), n=3.14, Ea=(8696,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3500,8 +3425,8 @@ ) entry( - index = 223, - label = "C2H6O-2 + O_rad <=> CH2CH2OH_p + OH_p23", + index = 218, + label = "C2H6O-2 + O <=> C2H5O-2 + HO-2", degeneracy = 3.0, kinetics = Arrhenius(A=(970,'cm^3/(mol*s)'), n=3.23, Ea=(4660,'cal/mol'), T0=(1,'K')), rank = 4, @@ -3509,8 +3434,8 @@ ) entry( - index = 224, - label = "C2H6O + O_rad <=> CH3CHOH_p + OH_p23", + index = 219, + label = "C2H6O + O <=> C2H5O + HO-2", degeneracy = 2.0, kinetics = Arrhenius(A=(150000,'cm^3/(mol*s)'), n=2.47, Ea=(876,'cal/mol'), T0=(1,'K')), rank = 4, @@ -3518,8 +3443,8 @@ ) entry( - index = 225, - label = "CH3CH2OH_rO + O_rad <=> CH3CH2O_p + OH_p23", + index = 220, + label = "C2H6O-4 + O <=> C2H5O-4 + HO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0015,'cm^3/(mol*s)'), n=4.7, Ea=(1730,'cal/mol'), T0=(1,'K')), rank = 4, @@ -3527,8 +3452,8 @@ ) entry( - index = 226, - label = "C2H6O + OH <=> CH3CHOH_p + H2O_p", + index = 221, + label = "C2H6O + HO <=> C2H5O + H2O", degeneracy = 2.0, kinetics = Arrhenius(A=(450,'cm^3/(mol*s)'), n=3.11, Ea=(-2666,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3536,8 +3461,8 @@ ) entry( - index = 227, - label = "C2H6O-2 + OH <=> CH2CH2OH_p + H2O_p", + index = 222, + label = "C2H6O-2 + HO <=> C2H5O-2 + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(9400,'cm^3/(mol*s)'), n=2.67, Ea=(-1004,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3545,8 +3470,8 @@ ) entry( - index = 228, - label = "C2H6O + HO2_r3 <=> CH3CHOH_p + H2O2_p13", + index = 223, + label = "C2H6O + HO2-2 <=> C2H5O + H2O2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(8200,'cm^3/(mol*s)'), n=2.55, Ea=(10750,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3554,8 +3479,8 @@ ) entry( - index = 229, - label = "C2H6O-2 + HO2_r3 <=> CH2CH2OH_p + H2O2_p13", + index = 224, + label = "C2H6O-2 + HO2-2 <=> C2H5O-2 + H2O2-2", degeneracy = 3.0, kinetics = Arrhenius(A=(12000,'cm^3/(mol*s)'), n=2.55, Ea=(15750,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3563,8 +3488,8 @@ ) entry( - index = 230, - label = "CH3CH2OH_rO + HO2_r3 <=> CH3CH2O_p + H2O2_p13", + index = 225, + label = "C2H6O-4 + HO2-2 <=> C2H5O-4 + H2O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.5e+12,'cm^3/(mol*s)'), n=0, Ea=(24000,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3572,8 +3497,8 @@ ) entry( - index = 231, - label = "C2H6O + CH3_r3 <=> CH3CHOH_p + CH4", + index = 226, + label = "C2H6O + CH3-2 <=> C2H5O + CH4-2", degeneracy = 2.0, kinetics = Arrhenius(A=(20,'cm^3/(mol*s)'), n=3.37, Ea=(7630,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3581,8 +3506,8 @@ ) entry( - index = 232, - label = "C2H6O-2 + CH3_r3 <=> CH2CH2OH_p + CH4", + index = 227, + label = "C2H6O-2 + CH3-2 <=> C2H5O-2 + CH4-2", degeneracy = 3.0, kinetics = Arrhenius(A=(2,'cm^3/(mol*s)'), n=3.57, Ea=(7717,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3590,8 +3515,8 @@ ) entry( - index = 233, - label = "CH3CH2OH_rO + CH3_r3 <=> CH3CH2O_p + CH4", + index = 228, + label = "C2H6O-4 + CH3-2 <=> C2H5O-4 + CH4-2", degeneracy = 1.0, kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=3.3, Ea=(12283,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3599,8 +3524,8 @@ ) entry( - index = 234, - label = "C2H4O + H <=> CH3CO_p + H2_p", + index = 229, + label = "C2H4O + H <=> C2H3O + H2", degeneracy = 1.0, kinetics = Arrhenius(A=(130000,'cm^3/(mol*s)'), n=2.58, Ea=(1219,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3608,8 +3533,8 @@ ) entry( - index = 235, - label = "CH3CHO_r1 + H <=> CH2CHO_p + H2_p", + index = 230, + label = "C2H4O-2 + H <=> C2H3O-2 + H2", degeneracy = 3.0, kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.1, Ea=(5203,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3617,8 +3542,8 @@ ) entry( - index = 236, - label = "C2H4O + O_rad <=> CH3CO_p + OH_p23", + index = 231, + label = "C2H4O + O <=> C2H3O + HO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(5.8e+12,'cm^3/(mol*s)'), n=0, Ea=(1808,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3626,8 +3551,8 @@ ) entry( - index = 237, - label = "C2H4O + OH <=> CH3CO_p + H2O_p", + index = 232, + label = "C2H4O + HO <=> C2H3O + H2O", degeneracy = 1.0, kinetics = Arrhenius(A=(2.8e+12,'cm^3/(mol*s)'), n=0, Ea=(-709,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3635,8 +3560,8 @@ ) entry( - index = 238, - label = "CH3CHO_r1 + OH <=> CH2CHO_p + H2O_p", + index = 233, + label = "C2H4O-2 + HO <=> C2H3O-2 + H2O", degeneracy = 3.0, kinetics = Arrhenius(A=(8.5e+13,'cm^3/(mol*s)'), n=0, Ea=(5313,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3644,8 +3569,8 @@ ) entry( - index = 239, - label = "C2H4O + HO2_r3 <=> CH3CO_p + H2O2_p13", + index = 234, + label = "C2H4O + HO2-2 <=> C2H3O + H2O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+13,'cm^3/(mol*s)'), n=0, Ea=(16293,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3653,8 +3578,8 @@ ) entry( - index = 240, - label = "CH3CHO_r1 + HO2_r3 <=> CH2CHO_p + H2O2_p13", + index = 235, + label = "C2H4O-2 + HO2-2 <=> C2H3O-2 + H2O2-2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.1e+13,'cm^3/(mol*s)'), n=0, Ea=(23248,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3662,8 +3587,8 @@ ) entry( - index = 241, - label = "C2H4O + O2 <=> CH3CO_p + HO2", + index = 236, + label = "C2H4O + O2 <=> C2H3O + HO2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(120000,'cm^3/(mol*s)'), n=2.5, Ea=(37554,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3671,8 +3596,8 @@ ) entry( - index = 242, - label = "C2H4O + CH3_r3 <=> CH3CO_p + CH4", + index = 237, + label = "C2H4O + CH3-2 <=> C2H3O + CH4-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.5e-08,'cm^3/(mol*s)'), n=6.21, Ea=(1629,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3680,8 +3605,8 @@ ) entry( - index = 243, - label = "CH3CH2OO_r3 + HO2_r12 <=> CH3CH2OOH_p + O2", + index = 238, + label = "C2H5O2 + HO2-4 <=> C2H6O2 + O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.5e+11,'cm^3/(mol*s)'), n=0, Ea=(-1391,'cal/mol'), T0=(1,'K')), rank = 5, @@ -3689,8 +3614,8 @@ ) entry( - index = 244, - label = "CH3C(O)OO_r3 + HO2_r12 <=> CH3C(O)OOH_p + O2", + index = 239, + label = "C2H3O3 + HO2-4 <=> C2H4O3 + O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e+11,'cm^3/(mol*s)'), n=0, Ea=(-1950,'cal/mol'), T0=(1,'K')), rank = 1, @@ -3698,8 +3623,8 @@ ) entry( - index = 245, - label = "C3H3-2 + H2 <=> C3H4 + H", + index = 240, + label = "C3H3-3 + H2-2 <=> C3H4-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.056,'cm^3/(mol*s)'), n=3.503, Ea=(15.039,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -3719,8 +3644,8 @@ ) entry( - index = 246, - label = "C3H3 + H2 <=> C3H4-1 + H", + index = 241, + label = "C3H3-4 + H2-2 <=> C3H4-4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.07496,'cm^3/(mol*s)'), n=3.944, Ea=(16.255,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -3740,8 +3665,8 @@ ) entry( - index = 247, - label = "C3H4 + H <=> H2 + C3H3-2", + index = 242, + label = "C3H4-2 + H <=> H2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(196.3,'cm^3/(mol*s)'), n=3.47, Ea=(3.214,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -3761,8 +3686,8 @@ ) entry( - index = 248, - label = "C3H4-1 + H <=> H2 + C3H3", + index = 243, + label = "C3H4 + H <=> H2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(14.13,'cm^3/(mol*s)'), n=3.852, Ea=(3.502,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -3782,8 +3707,8 @@ ) entry( - index = 249, - label = "C4H4 + CH3_r3 <=> CH4p + C4H3_p", + index = 244, + label = "C4H4 + CH3-2 <=> CH4-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(9.24,'cm^3/(mol*s)'), n=3.335, Ea=(7.75,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3795,7 +3720,7 @@ ) entry( - index = 250, + index = 245, label = "C4H4 + H <=> H2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.092e+06,'cm^3/(mol*s)'), n=2.211, Ea=(7.181,'kcal/mol'), T0=(1,'K')), @@ -3808,8 +3733,8 @@ ) entry( - index = 251, - label = "C4H6-5 + CH3_r3 <=> CH4p + C4H5-4_p", + index = 246, + label = "C4H6-5 + CH3-2 <=> CH4-2 + C4H5-5", degeneracy = 2.0, kinetics = Arrhenius(A=(14.26,'cm^3/(mol*s)'), n=3.317, Ea=(6.61,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3821,8 +3746,8 @@ ) entry( - index = 252, - label = "C4H6-5 + H <=> H2 + C4H5-4", + index = 247, + label = "C4H6-5 + H <=> H2 + C4H5-5", degeneracy = 2.0, kinetics = Arrhenius(A=(1.867e+06,'cm^3/(mol*s)'), n=2.242, Ea=(5.318,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3834,8 +3759,8 @@ ) entry( - index = 253, - label = "C4H6 + CH3_r3 <=> CH4p + CHCCHCH3", + index = 248, + label = "C4H6 + CH3-2 <=> CH4-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(29.41,'cm^3/(mol*s)'), n=3.184, Ea=(5.529,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3847,8 +3772,8 @@ ) entry( - index = 254, - label = "C4H6 + H <=> H2 + C4H5-5", + index = 249, + label = "C4H6 + H <=> H2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(8.501e+06,'cm^3/(mol*s)'), n=2.027, Ea=(4.069,'kcal/mol'), T0=(1,'K')), rank = 5, @@ -3860,8 +3785,8 @@ ) entry( - index = 255, - label = "C3H4 + OH <=> H2O + C3H3-2", + index = 250, + label = "C3H4-2 + HO <=> H2O + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(12560,'cm^3/(mol*s)'), n=2.794, Ea=(0.153,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -3881,8 +3806,8 @@ ) entry( - index = 256, - label = "C3H4-1 + OH <=> H2O + C3H3", + index = 251, + label = "C3H4 + HO <=> H2O + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(33830,'cm^3/(mol*s)'), n=2.802, Ea=(0.933,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -3902,8 +3827,8 @@ ) entry( - index = 257, - label = "C7H8 + OH <=> H2O + C7H7", + index = 252, + label = "C7H8 + HO <=> H2O + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(130169,'cm^3/(mol*s)'), n=2.28048, Ea=(-572.972,'cal/mol'), T0=(1,'K')), reference = Article( @@ -3923,8 +3848,8 @@ ) entry( - index = 258, - label = "C7H8-2 + OH <=> H2O + C7H7-2", + index = 253, + label = "C7H8-2 + HO <=> H2O + C7H7-2", degeneracy = 2.0, kinetics = Arrhenius(A=(277.731,'cm^3/(mol*s)'), n=2.99789, Ea=(1245.72,'cal/mol'), T0=(1,'K')), reference = Article( @@ -3944,8 +3869,8 @@ ) entry( - index = 259, - label = "C7H8-3 + OH <=> H2O + C7H7-3", + index = 254, + label = "C7H8-3 + HO <=> H2O + C7H7-3", degeneracy = 2.0, kinetics = Arrhenius(A=(819.665,'cm^3/(mol*s)'), n=3.09594, Ea=(1507.71,'cal/mol'), T0=(1,'K')), reference = Article( @@ -3965,8 +3890,8 @@ ) entry( - index = 260, - label = "C7H8-4 + OH <=> H2O + C7H7-4", + index = 255, + label = "C7H8-4 + HO <=> H2O + C7H7-4", degeneracy = 1.0, kinetics = Arrhenius(A=(763.895,'cm^3/(mol*s)'), n=3.10443, Ea=(1688.65,'cal/mol'), T0=(1,'K')), reference = Article( @@ -3986,7 +3911,7 @@ ) entry( - index = 261, + index = 256, label = "C7H8-3 + H <=> H2 + C7H7-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1.16e+06,'cm^3/(mol*s)'), n=2.44202, Ea=(9052.88,'cal/mol'), T0=(1,'K')), @@ -4007,7 +3932,7 @@ ) entry( - index = 262, + index = 257, label = "C7H8-4 + H <=> H2 + C7H7-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.57e+06,'cm^3/(mol*s)'), n=2.40693, Ea=(9440.52,'cal/mol'), T0=(1,'K')), @@ -4028,8 +3953,8 @@ ) entry( - index = 263, - label = "C7H8 + O_rad <=> HO + C7H7", + index = 258, + label = "C7H8 + O <=> HO-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00788,'cm^3/(mol*s)'), n=4.29278, Ea=(11250.7,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4049,8 +3974,8 @@ ) entry( - index = 264, - label = "C7H8-2 + O_rad <=> HO + C7H7-2", + index = 259, + label = "C7H8-2 + O <=> HO-2 + C7H7-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.71418,'cm^3/(mol*s)'), n=3.64569, Ea=(21743.3,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4070,8 +3995,8 @@ ) entry( - index = 265, - label = "C7H8-3 + O_rad <=> HO + C7H7-3", + index = 260, + label = "C7H8-3 + O <=> HO-2 + C7H7-3", degeneracy = 2.0, kinetics = Arrhenius(A=(3.02029,'cm^3/(mol*s)'), n=3.64209, Ea=(22208.2,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4091,8 +4016,8 @@ ) entry( - index = 266, - label = "C7H8-4 + O_rad <=> HO + C7H7-4", + index = 261, + label = "C7H8-4 + O <=> HO-2 + C7H7-4", degeneracy = 1.0, kinetics = Arrhenius(A=(3.79741,'cm^3/(mol*s)'), n=3.6191, Ea=(22697.5,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4112,8 +4037,8 @@ ) entry( - index = 267, - label = "C7H8 + CH3_r3 <=> CH4p + C7H7_p", + index = 262, + label = "C7H8 + CH3-2 <=> CH4-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(1.07e+06,'cm^3/(mol*s)'), n=2.26764, Ea=(4392.37,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4133,8 +4058,8 @@ ) entry( - index = 268, - label = "C7H8-2 + CH3_r3 <=> CH4p + C7H7-2", + index = 263, + label = "C7H8-2 + CH3-2 <=> CH4-2 + C7H7-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.21e+07,'cm^3/(mol*s)'), n=1.81483, Ea=(14155.6,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4154,8 +4079,8 @@ ) entry( - index = 269, - label = "C7H8-3 + CH3_r3 <=> CH4p + C7H7-3_p", + index = 264, + label = "C7H8-3 + CH3-2 <=> CH4-2 + C7H7-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1.11e+08,'cm^3/(mol*s)'), n=1.80464, Ea=(14389,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4175,8 +4100,8 @@ ) entry( - index = 270, - label = "C7H8-4 + CH3_r3 <=> CH4p + C7H7-4", + index = 265, + label = "C7H8-4 + CH3-2 <=> CH4-2 + C7H7-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.05e+08,'cm^3/(mol*s)'), n=1.81188, Ea=(14672.5,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4196,8 +4121,8 @@ ) entry( - index = 271, - label = "C7H8 + HO2_r3 <=> H2O2 + C7H7", + index = 266, + label = "C7H8 + HO2-2 <=> H2O2-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(2.55836,'cm^3/(mol*s)'), n=3.80712, Ea=(7395.74,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4217,8 +4142,8 @@ ) entry( - index = 272, - label = "C7H8-2 + HO2_r3 <=> H2O2 + C7H7-2", + index = 267, + label = "C7H8-2 + HO2-2 <=> H2O2-2 + C7H7-2", degeneracy = 2.0, kinetics = Arrhenius(A=(91.4407,'cm^3/(mol*s)'), n=3.28308, Ea=(14233.3,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4238,8 +4163,8 @@ ) entry( - index = 273, - label = "C7H8-3 + HO2_r3 <=> H2O2 + C7H7-3", + index = 268, + label = "C7H8-3 + HO2-2 <=> H2O2-2 + C7H7-3", degeneracy = 2.0, kinetics = Arrhenius(A=(197.267,'cm^3/(mol*s)'), n=3.28482, Ea=(14542.4,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4259,8 +4184,8 @@ ) entry( - index = 274, - label = "C7H8-4 + HO2_r3 <=> H2O2 + C7H7-4", + index = 269, + label = "C7H8-4 + HO2-2 <=> H2O2-2 + C7H7-4", degeneracy = 1.0, kinetics = Arrhenius(A=(204.902,'cm^3/(mol*s)'), n=3.30806, Ea=(14723.9,'cal/mol'), T0=(1,'K')), reference = Article( @@ -4280,7 +4205,7 @@ ) entry( - index = 275, + index = 270, label = "C6H6 + H <=> H2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(4.57e+08,'cm^3/(mol*s)'), n=1.88, Ea=(14.839,'kcal/mol'), T0=(1,'K')), @@ -4301,7 +4226,7 @@ ) entry( - index = 276, + index = 271, label = "C12H8 + H <=> H2 + C12H7", degeneracy = 2.0, kinetics = Arrhenius(A=(3.27e+08,'cm^3/(mol*s)'), n=1.71, Ea=(16.236,'kcal/mol'), T0=(1,'K')), @@ -4322,8 +4247,8 @@ ) entry( - index = 277, - label = "C6H6 + OH <=> H2O + C6H5", + index = 272, + label = "C6H6 + HO <=> H2O + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(3.88e-20,'cm^3/(molecule*s)'), n=2.683, Ea=(0.7333,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -4343,8 +4268,8 @@ ) entry( - index = 278, - label = "C6H6 + CH3_r3 <=> CH4p + C6H5", + index = 273, + label = "C6H6 + CH3-2 <=> CH4-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(3.07e-21,'cm^3/(molecule*s)'), n=2.88, Ea=(13.332,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -4364,8 +4289,8 @@ ) entry( - index = 279, - label = "C6H6 + C2H5 <=> C2H6 + C6H5", + index = 274, + label = "C6H6 + C2H5-2 <=> C2H6-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(2.62e-22,'cm^3/(molecule*s)'), n=3.11, Ea=(18.66,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -4385,7 +4310,7 @@ ) entry( - index = 280, + index = 275, label = "C10H8 + H <=> H2 + C10H7", degeneracy = 4.0, kinetics = Arrhenius(A=(3.91e+08,'cm^3/(mol*s)'), n=1.84, Ea=(14.973,'kcal/mol'), T0=(1,'K')), @@ -4406,7 +4331,7 @@ ) entry( - index = 281, + index = 276, label = "C10H8-2 + H <=> H2 + C10H7-2", degeneracy = 4.0, kinetics = Arrhenius(A=(4.04e+08,'cm^3/(mol*s)'), n=1.83, Ea=(14.98,'kcal/mol'), T0=(1,'K')), @@ -4427,8 +4352,8 @@ ) entry( - index = 282, - label = "C6H5 + H2 <=> C6H6 + H", + index = 277, + label = "C6H5-2 + H2-2 <=> C6H6-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(16900,'cm^3/(mol*s)'), n=2.63, Ea=(4.559,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -4448,8 +4373,8 @@ ) entry( - index = 283, - label = "C10H7 + H2 <=> C10H8 + H", + index = 278, + label = "C10H7-3 + H2-2 <=> C10H8-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.63, Ea=(4.107,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -4469,8 +4394,8 @@ ) entry( - index = 284, - label = "C10H7-2 + H2 <=> C10H8-2 + H", + index = 279, + label = "C10H7-4 + H2-2 <=> C10H8-4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(18400,'cm^3/(mol*s)'), n=2.61, Ea=(4.446,'kcal/mol'), T0=(1,'K')), reference = Article( @@ -4490,8 +4415,8 @@ ) entry( - index = 285, - label = "H2 + O_rad <=> HO + H", + index = 280, + label = "H2-2 + O <=> HO-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(96.0228,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4505,8 +4430,8 @@ ) entry( - index = 286, - label = "H2 + OH <=> H2O_p + H_p", + index = 281, + label = "H2-2 + HO <=> H2O + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.4e+06,'cm^3/(mol*s)'), n=2, Ea=(84.2448,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4520,8 +4445,8 @@ ) entry( - index = 287, - label = "H2 + CH3O-2 <=> CH4O-2 + H", + index = 282, + label = "H2-2 + CH3O-3 <=> CH4O-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.69, Ea=(89.2123,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4535,8 +4460,8 @@ ) entry( - index = 288, - label = "H2 + CH3_r3 <=> CH4p + H_p", + index = 283, + label = "H2-2 + CH3-2 <=> CH4-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.62e+06,'cm^3/(mol*s)'), n=1.87, Ea=(94.3429,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4550,21 +4475,8 @@ ) entry( - index = 289, - label = "H2 + O2 <=> HO2_r12 + H_p", - degeneracy = 4.0, - kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(52.9694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), - rank = 11, - shortDesc = """Estimate [W.H. Green]""", - longDesc = -""" -Converted to training reaction from rate rule: X_H;O2b -""", -) - -entry( - index = 290, - label = "OH_p23 + C2H6 <=> H2O_p + C2H5", + index = 284, + label = "HO + C2H6 <=> H2O + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(3.558e+07,'cm^3/(mol*s)'), n=1.8, Ea=(39.2041,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4592,8 +4504,8 @@ ) entry( - index = 291, - label = "OH_p23 + C3H8 <=> H2O + C3H7", + index = 285, + label = "HO + C3H8 <=> H2O + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(900000,'cm^3/(mol*s)'), n=2, Ea=(-4.74047,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4620,8 +4532,8 @@ ) entry( - index = 292, - label = "OH_p23 + iC4H10b <=> H2O + C4H9-4", + index = 286, + label = "HO + C4H10-4 <=> H2O + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+06,'cm^3/(mol*s)'), n=1.9, Ea=(-6.07098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4644,8 +4556,8 @@ ) entry( - index = 293, - label = "C2H6 + O_rad <=> HO + C2H5", + index = 287, + label = "C2H6 + O <=> HO-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(5700,'cm^3/(mol*s)'), n=3.05, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4667,8 +4579,8 @@ ) entry( - index = 294, - label = "C3H8 + O_rad <=> HO + C3H7", + index = 288, + label = "C3H8 + O <=> HO-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(47800,'cm^3/(mol*s)'), n=2.71, Ea=(57.4045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4691,8 +4603,8 @@ ) entry( - index = 295, - label = "iC4H10b + O_rad <=> HO + C4H9-4", + index = 289, + label = "C4H10-4 + O <=> HO-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(383000,'cm^3/(mol*s)'), n=2.41, Ea=(61.9232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4718,8 +4630,8 @@ ) entry( - index = 296, - label = "HO2_r3 + C2H6 <=> H2O2 + C2H5", + index = 290, + label = "HO2-2 + C2H6 <=> H2O2-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(1.68e+13,'cm^3/(mol*s)'), n=0, Ea=(85.5,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4744,8 +4656,8 @@ ) entry( - index = 297, - label = "HO2_r3 + C3H8 <=> H2O2 + C3H7", + index = 291, + label = "HO2-2 + C3H8 <=> H2O2-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(5.6e+12,'cm^3/(mol*s)'), n=0, Ea=(73.9982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4767,8 +4679,8 @@ ) entry( - index = 298, - label = "HO2_r3 + iC4H10b <=> H2O2 + C4H9-4", + index = 292, + label = "HO2-2 + C4H10-4 <=> H2O2-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(2.8e+12,'cm^3/(mol*s)'), n=0, Ea=(66.9984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4787,8 +4699,8 @@ ) entry( - index = 299, - label = "CH3O-2 + C2H6 <=> CH4O-2 + C2H5", + index = 293, + label = "CH3O-3 + C2H6 <=> CH4O-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(3.162e+11,'cm^3/(mol*s)'), n=0, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4810,8 +4722,8 @@ ) entry( - index = 300, - label = "CH3O-2 + C3H8 <=> CH4O-2 + C3H7", + index = 294, + label = "CH3O-3 + C3H8 <=> CH4O-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1.1e+11,'cm^3/(mol*s)'), n=0, Ea=(36.0818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4833,8 +4745,8 @@ ) entry( - index = 301, - label = "CH3O-2 + iC4H10b <=> CH4O-2 + C4H9-4", + index = 295, + label = "CH3O-3 + C4H10-4 <=> CH4O-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.9e+10,'cm^3/(mol*s)'), n=0, Ea=(40.6005,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4853,8 +4765,8 @@ ) entry( - index = 302, - label = "C2H6 + O2 <=> HO2_r12 + C2H5", + index = 296, + label = "C2H6 + O2 <=> HO2-3 + C2H5", degeneracy = 12.0, kinetics = Arrhenius(A=(8.4e+13,'cm^3/(mol*s)'), n=0, Ea=(212.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4876,8 +4788,8 @@ ) entry( - index = 303, - label = "C3H8 + O2 <=> HO2_r12 + C3H7", + index = 297, + label = "C3H8 + O2 <=> HO2-3 + C3H7", degeneracy = 4.0, kinetics = Arrhenius(A=(2.8e+13,'cm^3/(mol*s)'), n=0, Ea=(201.711,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4899,8 +4811,8 @@ ) entry( - index = 304, - label = "iC4H10b + O2 <=> HO2_r12 + C4H9-4", + index = 298, + label = "C4H10-4 + O2 <=> HO2-3 + C4H9-4", degeneracy = 2.0, kinetics = Arrhenius(A=(1.4e+13,'cm^3/(mol*s)'), n=0, Ea=(192.715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -4919,8 +4831,8 @@ ) entry( - index = 305, - label = "H2 + O2 <=> HO2_r12 + H", + index = 299, + label = "H2-2 + O2 <=> HO2-3 + H-2", degeneracy = 4.0, kinetics = Arrhenius(A=(2.9e+14,'cm^3/(mol*s)','*|/',5), n=0, Ea=(236.982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(800,'K')), rank = 10, @@ -4945,8 +4857,8 @@ ) entry( - index = 306, - label = "H2 + C2H3 <=> C2H4 + H", + index = 300, + label = "H2-2 + C2H3 <=> C2H4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(9460,'cm^3/(mol*s)'), n=2.56, Ea=(21.0455,'kJ/mol'), T0=(1,'K'), Tmin=(200,'K'), Tmax=(3000,'K')), rank = 6, @@ -4961,8 +4873,8 @@ ) entry( - index = 307, - label = "H2 + C2H <=> C2H2 + H", + index = 301, + label = "H2-2 + C2H <=> C2H2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.08e+13,'cm^3/(mol*s)','*|/',3.16), n=0, Ea=(9.07928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -4991,8 +4903,8 @@ ) entry( - index = 308, - label = "H2 + C6H5 <=> C6H6 + H", + index = 302, + label = "H2-2 + C6H5-2 <=> C6H6-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(57200,'cm^3/(mol*s)'), n=2.43, Ea=(26.2755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(5000,'K')), rank = 6, @@ -5007,8 +4919,8 @@ ) entry( - index = 309, - label = "H2 + HCO_r3 <=> CH2O + H", + index = 303, + label = "H2-2 + CHO-2 <=> CH2O-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.8e+06,'cm^3/(mol*s)','*|/',5), n=2, Ea=(204.765,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5033,8 +4945,8 @@ ) entry( - index = 310, - label = "H2 + C2H3O <=> C2H4O + H", + index = 304, + label = "H2-2 + C2H3O-3 <=> C2H4O-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.12e+06,'cm^3/(mol*s)','*|/',3), n=1.82, Ea=(217.289,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5061,8 +4973,8 @@ ) entry( - index = 311, - label = "H2 + OH <=> H2O_p + H_p", + index = 305, + label = "H2-2 + HO <=> H2O + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.82e+09,'cm^3/(mol*s)'), n=1.21, Ea=(83.9729,'kJ/mol'), T0=(1,'K'), Tmin=(200,'K'), Tmax=(2400,'K')), rank = 6, @@ -5085,8 +4997,8 @@ ) entry( - index = 312, - label = "H2 + CH3O-2 <=> CH4O-2 + H_p", + index = 306, + label = "H2-2 + CH3O-3 <=> CH4O-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1264,'cm^3/(mol*s)'), n=4, Ea=(69.8885,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -5098,8 +5010,8 @@ ) entry( - index = 313, - label = "CH4b + O2 <=> HO2_p23 + CH3_p1", + index = 307, + label = "CH4 + O2 <=> HO2-3 + CH3", degeneracy = 8.0, kinetics = Arrhenius(A=(7.94e+13,'cm^3/(mol*s)','*|/',10), n=0, Ea=(237.777,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2000,'K')), rank = 10, @@ -5127,8 +5039,8 @@ ) entry( - index = 314, - label = "C2H5 + CH4b <=> C2H6 + CH3_p1", + index = 308, + label = "C2H5-2 + CH4 <=> C2H6-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0864,'cm^3/(mol*s)','*|/',2), n=4.14, Ea=(52.551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5153,8 +5065,8 @@ ) entry( - index = 315, - label = "C3H7 + CH4b <=> C3H8 + CH3_p1", + index = 309, + label = "C3H7-2 + CH4 <=> C3H8-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.000724,'cm^3/(mol*s)','*|/',2), n=4.4, Ea=(45.1454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5180,8 +5092,8 @@ ) entry( - index = 316, - label = "C2H + CH4b <=> C2H2 + CH3_p1", + index = 310, + label = "C2H + CH4 <=> C2H2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(1.812e+12,'cm^3/(mol*s)','*|/',10), n=0, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5209,8 +5121,8 @@ ) entry( - index = 317, - label = "C6H5 + CH4b <=> C6H6 + CH3_p1", + index = 311, + label = "C6H5-2 + CH4 <=> C6H6-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(560,'K'), Tmax=(1410,'K')), rank = 5, @@ -5227,8 +5139,8 @@ ) entry( - index = 318, - label = "HCO_r3 + CH4b <=> CH2O + CH3_p1", + index = 312, + label = "CHO-2 + CH4 <=> CH2O-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(7280,'cm^3/(mol*s)','*|/',5), n=2.85, Ea=(143.302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5253,8 +5165,8 @@ ) entry( - index = 319, - label = "CH4b + C2H3O <=> C2H4O + CH3_p1", + index = 313, + label = "CH4 + C2H3O-3 <=> C2H4O-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(2172,'cm^3/(mol*s)','*|/',5), n=2.88, Ea=(155.826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5279,8 +5191,8 @@ ) entry( - index = 320, - label = "OH_p23 + CH4b <=> H2O_p + CH3_p1", + index = 314, + label = "HO + CH4 <=> H2O + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(1.54,'cm^3/(mol*s)'), n=3.95, Ea=(22.5099,'kJ/mol'), T0=(1,'K'), Tmin=(223,'K'), Tmax=(2400,'K')), rank = 6, @@ -5295,8 +5207,8 @@ ) entry( - index = 321, - label = "CH3O-2 + CH4b <=> CH4O-2 + CH3_p1", + index = 315, + label = "CH3O-3 + CH4 <=> CH4O-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00062,'cm^3/(mol*s)'), n=5, Ea=(23.3467,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -5315,8 +5227,8 @@ ) entry( - index = 322, - label = "HO2_r3 + CH4b <=> H2O2 + CH3_p1", + index = 316, + label = "HO2-2 + CH4 <=> H2O2-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(1.812e+11,'cm^3/(mol*s)','*|/',5), n=0, Ea=(77.7387,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5341,7 +5253,7 @@ ) entry( - index = 323, + index = 317, label = "C2H + C2H6 <=> C2H2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(3.612e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -5369,8 +5281,8 @@ ) entry( - index = 324, - label = "C6H5 + C2H6 <=> C6H6 + C2H5", + index = 318, + label = "C6H5-2 + C2H6 <=> C6H6-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(2.088e+11,'cm^3/(mol*s)','*|/',2.35), n=0, Ea=(18.577,'kJ/mol'), T0=(1,'K'), Tmin=(565,'K'), Tmax=(1000,'K')), rank = 5, @@ -5391,8 +5303,8 @@ ) entry( - index = 325, - label = "HCO_r3 + C2H6 <=> CH2O + C2H5", + index = 319, + label = "CHO-2 + C2H6 <=> CH2O-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(46920,'cm^3/(mol*s)','*|/',5), n=2.72, Ea=(159.996,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5417,8 +5329,8 @@ ) entry( - index = 326, - label = "C2H3O + C2H6 <=> C2H4O + C2H5", + index = 320, + label = "C2H3O-3 + C2H6 <=> C2H4O-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(18120,'cm^3/(mol*s)','*|/',5), n=2.75, Ea=(172.52,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5444,8 +5356,8 @@ ) entry( - index = 327, - label = "OH_p23 + CH3CHO_r1 <=> H2O + C2H3O-2", + index = 321, + label = "HO + C2H4O-2 <=> H2O + C2H3O-2", degeneracy = 3.0, kinetics = Arrhenius(A=(1.551e+06,'cm^3/(mol*s)'), n=2.2, Ea=(18.3785,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(600,'K')), rank = 6, @@ -5462,8 +5374,8 @@ ) entry( - index = 328, - label = "CH4O + CH3_r3 <=> CH4p + CH3O_p1", + index = 322, + label = "CH4O-2 + CH3-2 <=> CH4-2 + CH3O-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000615,'cm^3/(mol*s)'), n=4.9, Ea=(28.1165,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -5482,8 +5394,8 @@ ) entry( - index = 329, - label = "OH_p23 + CH4O <=> H2O + CH3O", + index = 323, + label = "HO + CH4O <=> H2O + CH3O", degeneracy = 3.0, kinetics = Arrhenius(A=(24420,'cm^3/(mol*s)'), n=2.8, Ea=(-1.75728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -5503,8 +5415,8 @@ ) entry( - index = 330, - label = "CH2 + C3H8 <=> CH3 + C3H7", + index = 324, + label = "CH2 + C3H8 <=> CH3-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1.51,'cm^3/(mol*s)','*|/',10), n=3.46, Ea=(31.2545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5529,8 +5441,8 @@ ) entry( - index = 331, - label = "CH3O + C3H8 <=> CH4O + C3H7", + index = 325, + label = "CH3O-4 + C3H8 <=> CH4O-4 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(60.4,'cm^3/(mol*s)','*|/',5), n=2.95, Ea=(50.1243,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5563,7 +5475,7 @@ ) entry( - index = 332, + index = 326, label = "C2H3 + C3H8 <=> C2H4 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)','*|/',10), n=3.1, Ea=(36.9029,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), @@ -5592,7 +5504,7 @@ ) entry( - index = 333, + index = 327, label = "C2H + C3H8 <=> C2H2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1.21e+12,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), @@ -5622,8 +5534,8 @@ ) entry( - index = 334, - label = "HCO_r3 + C3H8 <=> CH2O + C3H7", + index = 328, + label = "CHO-2 + C3H8 <=> CH2O-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)','*|/',3), n=1.9, Ea=(170.958,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5650,8 +5562,8 @@ ) entry( - index = 335, - label = "C2H3O + C3H8 <=> C2H4O + C3H7", + index = 329, + label = "C2H3O-3 + C3H8 <=> C2H4O-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(5.3e+06,'cm^3/(mol*s)','*|/',3), n=2, Ea=(183.482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5678,8 +5590,8 @@ ) entry( - index = 336, - label = "CH2 + iC4H10b <=> CH3 + C4H9-4", + index = 330, + label = "CH2 + C4H10-4 <=> CH3-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.09e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(20.5434,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5708,8 +5620,8 @@ ) entry( - index = 337, - label = "C2H3 + iC4H10b <=> C2H4 + C4H9-4", + index = 331, + label = "C2H3 + C4H10-4 <=> C2H4 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.904,'cm^3/(mol*s)','*|/',5), n=3.46, Ea=(10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5738,8 +5650,8 @@ ) entry( - index = 338, - label = "C2H + iC4H10b <=> C2H2 + C4H9-4", + index = 332, + label = "C2H + C4H10-4 <=> C2H2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(6.62e+11,'cm^3/(mol*s)','*|/',3), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5769,8 +5681,8 @@ ) entry( - index = 339, - label = "HCO_r3 + iC4H10b <=> CH2O + C4H9-4", + index = 333, + label = "CHO-2 + C4H10-4 <=> CH2O-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(34300,'cm^3/(mol*s)','*|/',5), n=2.5, Ea=(175.477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5801,8 +5713,8 @@ ) entry( - index = 340, - label = "C2H3O + iC4H10b <=> C2H4O + C4H9-4", + index = 334, + label = "C2H3O-3 + C4H10-4 <=> C2H4O-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(34300,'cm^3/(mol*s)','*|/',10), n=2.5, Ea=(188.001,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5830,8 +5742,8 @@ ) entry( - index = 341, - label = "C2H4 + O2 <=> HO2_r12 + C2H3", + index = 335, + label = "C2H4-2 + O2 <=> HO2-3 + C2H3-2", degeneracy = 8.0, kinetics = Arrhenius(A=(1.4336e+14,'cm^3/(mol*s)'), n=0, Ea=(251.082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5868,8 +5780,8 @@ ) entry( - index = 342, - label = "C2H4 + O_rad <=> HO + C2H3", + index = 336, + label = "C2H4-2 + O <=> HO-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.512e+07,'cm^3/(mol*s)'), n=1.91, Ea=(116.399,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(1510,'K')), rank = 6, @@ -5884,8 +5796,8 @@ ) entry( - index = 343, - label = "C2H4 + C2H5 <=> C2H6 + C2H3", + index = 337, + label = "C2H4-2 + C2H5-2 <=> C2H6-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(632,'cm^3/(mol*s)','*|/',10), n=3.13, Ea=(75.312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5912,8 +5824,8 @@ ) entry( - index = 344, - label = "OH_p23 + C2H4 <=> H2O + C2H3", + index = 338, + label = "HO + C2H4-2 <=> H2O + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(2.052e+13,'cm^3/(mol*s)','*|/',3.16), n=0, Ea=(109.161,'kJ/mol'), T0=(1,'K'), Tmin=(650,'K'), Tmax=(1500,'K')), rank = 10, @@ -5940,8 +5852,8 @@ ) entry( - index = 345, - label = "C3H6-2 + O_rad <=> HO + C3H5-2", + index = 339, + label = "C3H6-6 + O <=> HO-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(6.02e+10,'cm^3/(mol*s)','*|/',3), n=0.7, Ea=(116.943,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -5975,8 +5887,8 @@ ) entry( - index = 346, - label = "H + C3H6-2 <=> H2 + C3H5-2", + index = 340, + label = "H + C3H6-6 <=> H2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(409000,'cm^3/(mol*s)','*|/',4), n=2.5, Ea=(40.9614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6005,8 +5917,8 @@ ) entry( - index = 347, - label = "CH3_p23 + C3H6-2 <=> CH4b + C3H5-2", + index = 341, + label = "CH3-2 + C3H6-6 <=> CH4-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.842,'cm^3/(mol*s)','*|/',6), n=3.5, Ea=(87.1946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6034,8 +5946,8 @@ ) entry( - index = 348, - label = "C2H3 + C3H6-2 <=> C2H4 + C3H5-2", + index = 342, + label = "C2H3 + C3H6-6 <=> C2H4 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.842,'cm^3/(mol*s)','*|/',6), n=3.5, Ea=(40.4593,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6064,8 +5976,8 @@ ) entry( - index = 349, - label = "C2H + C3H6-2 <=> C2H2 + C3H5-2", + index = 343, + label = "C2H + C3H6-6 <=> C2H2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(1.21e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6090,8 +6002,8 @@ ) entry( - index = 350, - label = "OH_p23 + C3H6-2 <=> H2O + C3H5-2", + index = 344, + label = "HO + C3H6-6 <=> H2O + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(1.11e+06,'cm^3/(mol*s)','*|/',2), n=2, Ea=(109.704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6122,8 +6034,8 @@ ) entry( - index = 351, - label = "C2H2 + O2 <=> HO2_r12 + C2H", + index = 345, + label = "C2H2-2 + O2 <=> HO2-3 + C2H-2", degeneracy = 4.0, kinetics = Arrhenius(A=(2.42e+13,'cm^3/(mol*s)','*|/',10), n=0, Ea=(311.792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6150,8 +6062,8 @@ ) entry( - index = 352, - label = "C2H2 + C2H5 <=> C2H6 + C2H", + index = 346, + label = "C2H2-2 + C2H5-2 <=> C2H6-2 + C2H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.72e+11,'cm^3/(mol*s)','*|/',5), n=0, Ea=(174.389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6176,8 +6088,8 @@ ) entry( - index = 353, - label = "OH_p23 + C2H2 <=> H2O + C2H", + index = 347, + label = "HO + C2H2-2 <=> H2O + C2H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(14500,'cm^3/(mol*s)','*|/',10), n=2.68, Ea=(213.593,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6202,8 +6114,8 @@ ) entry( - index = 354, - label = "C6H6 + O2 <=> HO2_r12 + C6H5", + index = 348, + label = "C6H6 + O2 <=> HO2-3 + C6H5", degeneracy = 12.0, kinetics = Arrhenius(A=(1.2624e+14,'cm^3/(mol*s)'), n=0, Ea=(251.082,'kJ/mol'), T0=(1,'K'), Tmin=(1200,'K'), Tmax=(1700,'K')), rank = 10, @@ -6218,7 +6130,7 @@ ) entry( - index = 355, + index = 349, label = "H + C6H6 <=> H2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(6e+08,'cm^3/(mol*s)'), n=1.8, Ea=(68.4084,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(800,'K')), @@ -6236,8 +6148,8 @@ ) entry( - index = 356, - label = "C2H5 + C6H6 <=> C2H6 + C6H5", + index = 350, + label = "C2H5-2 + C6H6 <=> C2H6-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(6.3e+11,'cm^3/(mol*s)','*|/',2), n=0, Ea=(85.3118,'kJ/mol'), T0=(1,'K'), Tmin=(650,'K'), Tmax=(770,'K')), rank = 11, @@ -6254,8 +6166,8 @@ ) entry( - index = 357, - label = "OH_p23 + C6H6 <=> H2O + C6H5", + index = 351, + label = "HO + C6H6 <=> H2O + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(1.632e+08,'cm^3/(mol*s)','*|/',2), n=1.42, Ea=(124.516,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1500,'K')), rank = 10, @@ -6284,8 +6196,8 @@ ) entry( - index = 358, - label = "CH2O + O2 <=> HO2_r12 + HCO_r3", + index = 352, + label = "CH2O + O2 <=> HO2-3 + CHO", degeneracy = 4.0, kinetics = Arrhenius(A=(9.36e+07,'cm^3/(mol*s)'), n=2.05, Ea=(158.699,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2200,'K')), rank = 6, @@ -6300,8 +6212,8 @@ ) entry( - index = 359, - label = "CH2O + O_rad <=> HO + HCO_r3", + index = 353, + label = "CH2O + O <=> HO-2 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(4.16e+11,'cm^3/(mol*s)','*|/',2), n=0.57, Ea=(11.5478,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2200,'K')), rank = 10, @@ -6329,8 +6241,8 @@ ) entry( - index = 360, - label = "CH2 + CH2O <=> CH3 + HCO_r3", + index = 354, + label = "CH2 + CH2O <=> CH3-3 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(6.04e+09,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6358,8 +6270,8 @@ ) entry( - index = 361, - label = "CH3_p23 + CH2O <=> CH4b + HCO_r3", + index = 355, + label = "CH3-2 + CH2O <=> CH4-2 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(7.78e-08,'cm^3/(mol*s)','*|/',1.58), n=6.1, Ea=(8.24248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -6388,8 +6300,8 @@ ) entry( - index = 362, - label = "CH2O + C2H5 <=> C2H6 + HCO_r3", + index = 356, + label = "CH2O + C2H5-2 <=> C2H6-2 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(5500,'cm^3/(mol*s)','*|/',5), n=2.81, Ea=(24.5182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6416,8 +6328,8 @@ ) entry( - index = 363, - label = "CH2O + C3H7 <=> C3H8 + HCO_r3", + index = 357, + label = "CH2O + C3H7-2 <=> C3H8-2 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(1.08e+11,'cm^3/(mol*s)','*|/',2.5), n=0, Ea=(29.1206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6446,8 +6358,8 @@ ) entry( - index = 364, - label = "CH2O + C4H9-4 <=> iC4H10b + HCO_r3", + index = 358, + label = "CH2O + C4H9-5 <=> C4H10-5 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(3.26e+09,'cm^3/(mol*s)','*|/',5), n=0, Ea=(14.895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6478,8 +6390,8 @@ ) entry( - index = 365, - label = "C2H3 + CH2O <=> C2H4 + HCO_r3", + index = 359, + label = "C2H3 + CH2O <=> C2H4 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(5420,'cm^3/(mol*s)','*|/',5), n=2.81, Ea=(24.5182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6506,8 +6418,8 @@ ) entry( - index = 366, - label = "CH2O + C2H3O <=> C2H4O + HCO_r3", + index = 360, + label = "CH2O + C2H3O-3 <=> C2H4O-3 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(1.81e+11,'cm^3/(mol*s)','*|/',10), n=0, Ea=(54.0573,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6532,8 +6444,8 @@ ) entry( - index = 367, - label = "OH_p23 + CH2O <=> H2O + HCO_r3", + index = 361, + label = "HO + CH2O <=> H2O + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(3.44e+09,'cm^3/(mol*s)','*|/',5), n=1.18, Ea=(-1.8828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 10, @@ -6561,8 +6473,8 @@ ) entry( - index = 368, - label = "CH2O + CH3O-2 <=> CH4O-2 + HCO_r3", + index = 362, + label = "CH2O + CH3O-3 <=> CH4O-3 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(1.02e+11,'cm^3/(mol*s)','*|/',3), n=0, Ea=(12.4683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6589,8 +6501,8 @@ ) entry( - index = 369, - label = "HO2_r3 + CH2O <=> H2O2 + HCO_r3", + index = 363, + label = "HO2-2 + CH2O <=> H2O2-2 + CHO", degeneracy = 2.0, kinetics = Arrhenius(A=(41200,'cm^3/(mol*s)'), n=2.5, Ea=(42.7186,'kJ/mol'), T0=(1,'K'), Tmin=(641,'K'), Tmax=(1600,'K')), rank = 10, @@ -6605,8 +6517,8 @@ ) entry( - index = 370, - label = "C2H4O + O2 <=> HO2_r12 + C2H3O", + index = 364, + label = "C2H4O + O2 <=> HO2-3 + C2H3O", degeneracy = 2.0, kinetics = Arrhenius(A=(6.02e+13,'cm^3/(mol*s)','*|/',10), n=0, Ea=(163.804,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(1100,'K')), rank = 10, @@ -6636,8 +6548,8 @@ ) entry( - index = 371, - label = "C2H4O + O_rad <=> HO + C2H3O", + index = 365, + label = "C2H4O + O <=> HO-2 + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)','*|/',2), n=0, Ea=(7.48936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, @@ -6652,7 +6564,7 @@ ) entry( - index = 372, + index = 366, label = "H + C2H4O <=> H2 + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)','*|/',2), n=0, Ea=(17.6146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -6668,8 +6580,8 @@ ) entry( - index = 373, - label = "CH3_p23 + C2H4O <=> CH4b + C2H3O", + index = 367, + label = "CH3-2 + C2H4O <=> CH4-2 + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(1.99e-06,'cm^3/(mol*s)','*|/',2), n=5.64, Ea=(10.2926,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1250,'K')), rank = 10, @@ -6699,8 +6611,8 @@ ) entry( - index = 374, - label = "C3H5 + C2H4O <=> C3H6 + C2H3O", + index = 368, + label = "C3H5-3 + C2H4O <=> C3H6-3 + C2H3O", degeneracy = 2.0, kinetics = Arrhenius(A=(7.6e+11,'cm^3/(mol*s)'), n=0, Ea=(30.1666,'kJ/mol'), T0=(1,'K'), Tmin=(790,'K'), Tmax=(810,'K')), rank = 11, @@ -6715,7 +6627,7 @@ ) entry( - index = 375, + index = 369, label = "C2H3 + C2H4O <=> C2H4 + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(8.13e+10,'cm^3/(mol*s)'), n=0, Ea=(15.3971,'kJ/mol'), T0=(1,'K'), Tmin=(480,'K'), Tmax=(520,'K')), @@ -6731,8 +6643,8 @@ ) entry( - index = 376, - label = "OH_p23 + C2H4O <=> H2O + C2H3O", + index = 370, + label = "HO + C2H4O <=> H2O + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(2e+06,'cm^3/(mol*s)'), n=1.8, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(600,'K')), rank = 6, @@ -6753,8 +6665,8 @@ ) entry( - index = 377, - label = "HO2_r3 + C2H4O <=> H2O2 + C2H3O", + index = 371, + label = "HO2-2 + C2H4O <=> H2O2-2 + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(3.01e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(49.8733,'kJ/mol'), T0=(1,'K'), Tmin=(900,'K'), Tmax=(1200,'K')), rank = 10, @@ -6783,8 +6695,8 @@ ) entry( - index = 378, - label = "H2O + O2 <=> HO2_r12 + OH_p23", + index = 372, + label = "H2O-2 + O2 <=> HO2-3 + HO-3", degeneracy = 4.0, kinetics = Arrhenius(A=(9.3e+12,'cm^3/(mol*s)'), n=0, Ea=(310.118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1000,'K')), rank = 11, @@ -6802,8 +6714,8 @@ ) entry( - index = 379, - label = "H2O + O_rad <=> HO + OH_p23", + index = 373, + label = "H2O-2 + O <=> HO-3 + HO-2", degeneracy = 2.0, kinetics = Arrhenius(A=(5.26e+09,'cm^3/(mol*s)'), n=1.2, Ea=(74.6007,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(1000,'K')), rank = 6, @@ -6818,8 +6730,8 @@ ) entry( - index = 380, - label = "H + H2O <=> H2 + OH_p23", + index = 374, + label = "H + H2O-2 <=> H2 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(4.52e+08,'cm^3/(mol*s)','*|/',1.6), n=1.6, Ea=(80.8349,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6852,8 +6764,8 @@ ) entry( - index = 381, - label = "H2O + CH3_r3 <=> CH4p + OH_p1", + index = 375, + label = "H2O-2 + CH3-2 <=> CH4-2 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(6.4,'cm^3/(mol*s)'), n=3.31, Ea=(52.551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -6868,8 +6780,8 @@ ) entry( - index = 382, - label = "H2O + C2H5 <=> C2H6 + OH_p23", + index = 376, + label = "H2O-2 + C2H5-2 <=> C2H6-2 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(3.4e+06,'cm^3/(mol*s)','*|/',2), n=1.44, Ea=(84.8097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6894,8 +6806,8 @@ ) entry( - index = 383, - label = "H2O + C2H3 <=> C2H4 + OH_p23", + index = 377, + label = "H2O-2 + C2H3 <=> C2H4 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(484,'cm^3/(mol*s)','*|/',5), n=2.9, Ea=(62.1742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6920,8 +6832,8 @@ ) entry( - index = 384, - label = "H2O + HCO_r3 <=> CH2O + OH_p23", + index = 378, + label = "H2O-2 + CHO-2 <=> CH2O-2 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(2.36e+08,'cm^3/(mol*s)','*|/',5), n=1.35, Ea=(120.792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -6946,8 +6858,8 @@ ) entry( - index = 385, - label = "H2O + CH3O-2 <=> CH4O-2 + OH_p23", + index = 379, + label = "H2O-2 + CH3O-3 <=> CH4O-3 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.348,'cm^3/(mol*s)'), n=3.8, Ea=(48.0742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -6964,8 +6876,8 @@ ) entry( - index = 386, - label = "CH4O-2 + O_rad <=> HO + CH3O-2", + index = 380, + label = "CH4O-2 + O <=> HO-2 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)','*|/',2.51), n=0, Ea=(21.3227,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1000,'K')), rank = 10, @@ -6980,8 +6892,8 @@ ) entry( - index = 387, - label = "CH2 + CH4O-2 <=> CH3 + CH3O-2", + index = 381, + label = "CH2 + CH4O-2 <=> CH3-3 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(14.4,'cm^3/(mol*s)','*|/',3), n=3.1, Ea=(29.037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -7013,8 +6925,8 @@ ) entry( - index = 388, - label = "CH4O-2 + CH3_r3 <=> CH4p + CH3O-2", + index = 382, + label = "CH4O-2 + CH3-2 <=> CH4-2 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00037,'cm^3/(mol*s)'), n=4.7, Ea=(24.1835,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -7031,8 +6943,8 @@ ) entry( - index = 389, - label = "CH4O-2 + C2H5 <=> C2H6 + CH3O-2", + index = 383, + label = "CH4O-2 + C2H5-2 <=> C2H6-2 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(14.4,'cm^3/(mol*s)','*|/',3), n=3.1, Ea=(37.405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -7064,8 +6976,8 @@ ) entry( - index = 390, - label = "CH4O-2 + C3H7 <=> C3H8 + CH3O-2", + index = 384, + label = "CH4O-2 + C3H7-2 <=> C3H8-2 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(14.5,'cm^3/(mol*s)','*|/',5), n=3.1, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -7098,8 +7010,8 @@ ) entry( - index = 391, - label = "CH4O-2 + C4H9-4 <=> iC4H10b + CH3O-2", + index = 385, + label = "CH4O-2 + C4H9-5 <=> C4H10-5 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1510,'cm^3/(mol*s)','*|/',10), n=1.8, Ea=(39.1622,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, @@ -7131,7 +7043,7 @@ ) entry( - index = 392, + index = 386, label = "C2H3 + CH4O-2 <=> C2H4 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(14.4,'cm^3/(mol*s)','*|/',10), n=3.1, Ea=(29.037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), @@ -7160,7 +7072,7 @@ ) entry( - index = 393, + index = 387, label = "C2H + CH4O-2 <=> C2H2 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.21e+12,'cm^3/(mol*s)','*|/',5), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), @@ -7189,8 +7101,8 @@ ) entry( - index = 394, - label = "OH_p23 + CH4O-2 <=> H2O + CH3O-2", + index = 388, + label = "HO + CH4O-2 <=> H2O + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(17.3,'cm^3/(mol*s)'), n=3.4, Ea=(-4.76976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -7207,8 +7119,8 @@ ) entry( - index = 395, - label = "H2O2 + C4H9O <=> C4H10O + HO2_r3", + index = 389, + label = "H2O2 + C4H9O <=> C4H10O + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(5.76,'cm^3/(mol*s)'), n=3.16, Ea=(3.138,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7238,8 +7150,8 @@ ) entry( - index = 396, - label = "H2O2 + C4H9O-2 <=> C4H10O-2 + HO2_r3", + index = 390, + label = "H2O2 + C4H9O-2 <=> C4H10O-2 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.35,'cm^3/(mol*s)'), n=3.42, Ea=(5.98312,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7269,8 +7181,8 @@ ) entry( - index = 397, - label = "H2O2 + C4H9O-3 <=> C4H10O-3 + HO2_r3", + index = 391, + label = "H2O2 + C4H9O-3 <=> C4H10O-3 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.629,'cm^3/(mol*s)'), n=3.52, Ea=(6.73624,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7300,8 +7212,8 @@ ) entry( - index = 398, - label = "H2O2 + C4H9O-4 <=> C4H10O-4 + HO2_r3", + index = 392, + label = "H2O2 + C4H9O-4 <=> C4H10O-4 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.97,'cm^3/(mol*s)'), n=3.39, Ea=(7.3132,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7331,8 +7243,8 @@ ) entry( - index = 399, - label = "H2O2 + C4H9O-5 <=> C4H10O-5 + HO2_r3", + index = 393, + label = "H2O2 + C4H9O-5 <=> C4H10O-5 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(11.5,'cm^3/(mol*s)'), n=2.94, Ea=(1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7354,8 +7266,8 @@ ) entry( - index = 400, - label = "H2O2 + C4H9O-6 <=> C4H10O-6 + HO2_r3", + index = 394, + label = "H2O2 + C4H9O-6 <=> C4H10O-6 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.75,'cm^3/(mol*s)'), n=2.91, Ea=(-1.71544,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7377,8 +7289,8 @@ ) entry( - index = 401, - label = "H2O2 + C4H9O-7 <=> C4H10O-7 + HO2_r3", + index = 395, + label = "H2O2 + C4H9O-7 <=> C4H10O-7 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(34.6,'cm^3/(mol*s)'), n=3.05, Ea=(4.26768,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7400,8 +7312,8 @@ ) entry( - index = 402, - label = "H2O2 + C4H9O-12 <=> C4H10O-12 + HO2_r3", + index = 396, + label = "H2O2 + C4H9O-12 <=> C4H10O-12 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.611,'cm^3/(mol*s)'), n=3.53, Ea=(6.35968,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7423,8 +7335,8 @@ ) entry( - index = 403, - label = "H2O2 + C4H9O-9 <=> C4H10O-9 + HO2_r3", + index = 397, + label = "H2O2 + C4H9O-9 <=> C4H10O-9 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.42,'cm^3/(mol*s)'), n=3.53, Ea=(6.52704,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7446,8 +7358,8 @@ ) entry( - index = 404, - label = "HO2_r3 + HO2_r12 <=> H2O2 + O2", + index = 398, + label = "HO2-4 + HO2-2 <=> H2O2-2 + O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.75e+10,'cm^3/(mol*s)'), n=0, Ea=(-13.7026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -7459,8 +7371,8 @@ ) entry( - index = 405, - label = "CH2O + C4H7 <=> C4H8 + HCO_r3", + index = 399, + label = "CH2O + C4H7 <=> C4H8 + CHO", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1226,'cm^3/(mol*s)'), n=3.95, Ea=(51.1285,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -7491,7 +7403,7 @@ ) entry( - index = 406, + index = 400, label = "C4H9O-10 + C3H8 <=> C4H10O-10 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1.822e-06,'cm^3/(mol*s)'), n=5.11, Ea=(29.8373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7514,8 +7426,8 @@ ) entry( - index = 407, - label = "C4H10O-11 + C3H7 <=> C3H8 + C4H9O-11", + index = 401, + label = "C4H10O-11 + C3H7-2 <=> C3H8-2 + C4H9O-11", degeneracy = 2.0, kinetics = Arrhenius(A=(2.12e-06,'cm^3/(mol*s)'), n=5.06, Ea=(20.4598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7537,8 +7449,8 @@ ) entry( - index = 408, - label = "C4H9O-12 + C4H8 <=> C4H10O-12 + C4H7", + index = 402, + label = "C4H9O-12 + C4H8-2 <=> C4H10O-12 + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(5.034e-05,'cm^3/(mol*s)'), n=4.89, Ea=(18.0749,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7560,8 +7472,8 @@ ) entry( - index = 409, - label = "C4H9O-10 + C4H8 <=> C4H10O-10 + C4H7", + index = 403, + label = "C4H9O-10 + C4H8-2 <=> C4H10O-10 + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(8.64e-05,'cm^3/(mol*s)'), n=4.52, Ea=(6.10864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7583,8 +7495,8 @@ ) entry( - index = 410, - label = "C4H9O-11 + C4H8 <=> C4H10O-11 + C4H7", + index = 404, + label = "C4H9O-13 + C4H8-2 <=> C4H10O-13 + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(2.946e-05,'cm^3/(mol*s)'), n=5.07, Ea=(15.3134,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7606,8 +7518,8 @@ ) entry( - index = 411, - label = "C4H8 + C4H9O-13 <=> C4H10O-13 + C4H7", + index = 405, + label = "C4H8-2 + C4H9O-14 <=> C4H10O-14 + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(3.498,'cm^3/(mol*s)'), n=3.74, Ea=(6.0668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7629,7 +7541,7 @@ ) entry( - index = 412, + index = 406, label = "C4H9O-12 + C3H6 <=> C4H10O-12 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0001008,'cm^3/(mol*s)'), n=4.75, Ea=(17.2799,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7656,7 +7568,7 @@ ) entry( - index = 413, + index = 407, label = "C4H9O-10 + C3H6 <=> C4H10O-10 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(4.92e-06,'cm^3/(mol*s)'), n=4.98, Ea=(13.3051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7683,8 +7595,8 @@ ) entry( - index = 414, - label = "C4H9O-11 + C3H6 <=> C4H10O-11 + C3H5", + index = 408, + label = "C4H9O-13 + C3H6 <=> C4H10O-13 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(9.33e-06,'cm^3/(mol*s)'), n=4.97, Ea=(15.2298,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7706,8 +7618,8 @@ ) entry( - index = 415, - label = "C3H6 + C4H9O-13 <=> C4H10O-13 + C3H5", + index = 409, + label = "C3H6 + C4H9O-14 <=> C4H10O-14 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.357,'cm^3/(mol*s)'), n=3.9, Ea=(7.57304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7729,7 +7641,7 @@ ) entry( - index = 416, + index = 410, label = "C4H9O-12 + C2H6 <=> C4H10O-12 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(1.926e-05,'cm^3/(mol*s)'), n=5.28, Ea=(32.5515,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7756,8 +7668,8 @@ ) entry( - index = 417, - label = "C4H10O-10 + C2H5 <=> C2H6 + C4H9O-10", + index = 411, + label = "C4H10O-15 + C2H5-2 <=> C2H6-2 + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(1.41e-05,'cm^3/(mol*s)'), n=4.83, Ea=(18.2841,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7783,8 +7695,8 @@ ) entry( - index = 418, - label = "C4H10O-11 + C2H5 <=> C2H6 + C4H9O-11", + index = 412, + label = "C4H10O-11 + C2H5-2 <=> C2H6-2 + C4H9O-11", degeneracy = 2.0, kinetics = Arrhenius(A=(8.5e-06,'cm^3/(mol*s)'), n=5.01, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7806,8 +7718,8 @@ ) entry( - index = 419, - label = "C4H9O-13 + C2H6 <=> C4H10O-13 + C2H5", + index = 413, + label = "C4H9O-14 + C2H6 <=> C4H10O-14 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.03042,'cm^3/(mol*s)'), n=4.52, Ea=(18.4854,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7829,8 +7741,8 @@ ) entry( - index = 420, - label = "C2H3 + C4H10O-10 <=> C2H4 + C4H9O-10", + index = 414, + label = "C2H3 + C4H10O-15 <=> C2H4 + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(5.49,'cm^3/(mol*s)'), n=3.33, Ea=(2.63592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7856,7 +7768,7 @@ ) entry( - index = 421, + index = 415, label = "C3H8O + C3H5-2 <=> C3H6-2 + C3H7O", degeneracy = 3.0, kinetics = Arrhenius(A=(9.33e-05,'cm^3/(mol*s)'), n=4.87, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7879,7 +7791,7 @@ ) entry( - index = 422, + index = 416, label = "C4H10O-11 + C3H5-2 <=> C3H6-2 + C4H9O-11", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0256,'cm^3/(mol*s)'), n=4.09, Ea=(5.48104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7902,7 +7814,7 @@ ) entry( - index = 423, + index = 417, label = "C4H9O-12 + C3H6O <=> C4H10O-12 + C3H5O", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000312,'cm^3/(mol*s)'), n=4.31, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7925,8 +7837,8 @@ ) entry( - index = 424, - label = "C4H10O-10 + C3H5O <=> C3H6O + C4H9O-10", + index = 418, + label = "C4H10O-15 + C3H5O-2 <=> C3H6O-2 + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000485,'cm^3/(mol*s)'), n=4.37, Ea=(40.4174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7948,8 +7860,8 @@ ) entry( - index = 425, - label = "C4H10O-11 + C3H5O <=> C3H6O + C4H9O-11", + index = 419, + label = "C4H10O-11 + C3H5O-2 <=> C3H6O-2 + C4H9O-11", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00368,'cm^3/(mol*s)'), n=4.02, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -7971,7 +7883,7 @@ ) entry( - index = 426, + index = 420, label = "H + C4H8O <=> H2 + C4H7O", degeneracy = 1.0, kinetics = Arrhenius(A=(2.08e+07,'cm^3/(mol*s)'), n=1.84, Ea=(12.6775,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -7994,8 +7906,8 @@ ) entry( - index = 427, - label = "C4H8 + C3H5O-2 <=> C3H6O-2 + C4H7", + index = 421, + label = "C4H8-2 + C3H5O-3 <=> C3H6O-3 + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(4.512e-07,'cm^3/(mol*s)'), n=5.77, Ea=(72.2118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -8017,8 +7929,8 @@ ) entry( - index = 428, - label = "HO2_r3 + C3H6 <=> H2O2 + C3H5", + index = 422, + label = "HO2-2 + C3H6 <=> H2O2-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00173499,'cm^3/(mol*s)'), n=4.65, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8036,8 +7948,8 @@ ) entry( - index = 429, - label = "HO2_r3 + C4H8-2 <=> H2O2 + C4H7-2", + index = 423, + label = "HO2-2 + C4H8-3 <=> H2O2-2 + C4H7-3", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00346998,'cm^3/(mol*s)'), n=4.65, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8059,8 +7971,8 @@ ) entry( - index = 430, - label = "H2O2 + C3H5-2 <=> C3H6-2 + HO2_r3", + index = 424, + label = "H2O2 + C3H5-2 <=> C3H6-2 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.875,'cm^3/(mol*s)'), n=3.59, Ea=(-16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8078,8 +7990,8 @@ ) entry( - index = 431, - label = "H2O2 + C4H7-3 <=> C4H8-3 + HO2_r3", + index = 425, + label = "H2O2 + C4H7-4 <=> C4H8-4 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.875,'cm^3/(mol*s)'), n=3.59, Ea=(-16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8103,8 +8015,8 @@ ) entry( - index = 432, - label = "HO2_r3 + C4H8-4 <=> H2O2 + C4H7-4", + index = 426, + label = "HO2-2 + C4H8-5 <=> H2O2-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000508,'cm^3/(mol*s)'), n=4.59, Ea=(29.9574,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8125,8 +8037,8 @@ ) entry( - index = 433, - label = "HO2_r3 + C4H8-4 <=> H2O2 + C4H7-4", + index = 427, + label = "HO2-2 + C4H8-5 <=> H2O2-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000508,'cm^3/(mol*s)'), n=4.59, Ea=(29.9574,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8150,8 +8062,8 @@ ) entry( - index = 434, - label = "H2O2 + C2H3 <=> C2H4 + HO2_r3", + index = 428, + label = "H2O2 + C2H3 <=> C2H4 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(2,'cm^3/(mol*s)'), n=3.52, Ea=(-31.2963,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8169,8 +8081,8 @@ ) entry( - index = 435, - label = "H2O2 + C4H7-5 <=> C4H8-5 + HO2_r3", + index = 429, + label = "H2O2 + C4H7-6 <=> C4H8-6 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(2,'cm^3/(mol*s)'), n=3.52, Ea=(-31.2963,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -8194,8 +8106,8 @@ ) entry( - index = 436, - label = "CH4b + C2 <=> C2H-2 + CH3_p23", + index = 430, + label = "CH4 + C2 <=> C2H-3 + CH3", degeneracy = 8.0, kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)','+|-',1.6e+12), n=0, Ea=(4.3932,'kJ/mol'), T0=(1,'K'), Tmin=(294,'K'), Tmax=(376,'K')), rank = 10, @@ -8228,8 +8140,8 @@ ) entry( - index = 437, - label = "H2O2 + C3H5O-2 <=> C3H6O-2 + HO2_r3", + index = 431, + label = "H2O2 + C3H5O-3 <=> C3H6O-3 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0699,'cm^3/(mol*s)','*|/',3), n=3.75, Ea=(117.985,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -8258,8 +8170,8 @@ ) entry( - index = 438, - label = "H2O2 + C2H3O-3 <=> C2H4O-2 + HO2_r3", + index = 432, + label = "H2O2 + C2H3O-4 <=> C2H4O-4 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0699,'cm^3/(mol*s)','*|/',3), n=3.75, Ea=(117.985,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -8276,8 +8188,8 @@ ) entry( - index = 439, - label = "H2O2 + CH3O2 <=> CH4O2 + HO2_r3", + index = 433, + label = "H2O2 + CH3O2 <=> CH4O2 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.184,'cm^3/(mol*s)','*|/',3), n=3.96, Ea=(27.7399,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -8306,8 +8218,8 @@ ) entry( - index = 440, - label = "C4H8-4 + CH3O2 <=> CH4O2 + C4H7-4", + index = 434, + label = "C4H8-5 + CH3O2 <=> CH4O2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01482,'cm^3/(mol*s)','*|/',3), n=4.313, Ea=(33.5389,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -8346,8 +8258,8 @@ ) entry( - index = 441, - label = "H2O2 + C3H5 <=> C3H6 + HO2_r3", + index = 435, + label = "H2O2 + C3H5-3 <=> C3H6-3 + HO2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0702,'cm^3/(mol*s)','*|/',3), n=4.22, Ea=(45.773,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -8376,8 +8288,8 @@ ) entry( - index = 442, - label = "HO2_r3 + C4H8O-3 <=> H2O2 + C4H7O-3", + index = 436, + label = "HO2-2 + C4H8O-3 <=> H2O2-2 + C4H7O-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000191,'cm^3/(mol*s)','*|/',3), n=4.25, Ea=(3.38904,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -8399,8 +8311,8 @@ ) entry( - index = 443, - label = "OH_p23 + C7H8 <=> H2O + C7H7", + index = 437, + label = "HO + C7H8 <=> H2O + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(1.26e+13,'cm^3/(mol*s)'), n=0, Ea=(10.8366,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 6, @@ -8412,8 +8324,8 @@ ) entry( - index = 444, - label = "HO2_r3 + C7H8 <=> H2O2 + C7H7", + index = 438, + label = "HO2-2 + C7H8 <=> H2O2-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(3.96e+11,'cm^3/(mol*s)'), n=0, Ea=(58.9107,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(1000,'K')), rank = 6, @@ -8425,8 +8337,8 @@ ) entry( - index = 445, - label = "HO2_r3 + C8H10 <=> H2O2 + C8H9", + index = 439, + label = "HO2-2 + C8H10 <=> H2O2-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(2.66e+11,'cm^3/(mol*s)'), n=0, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(1000,'K')), rank = 11, @@ -8438,8 +8350,8 @@ ) entry( - index = 446, - label = "HO2_r3 + C9H12 <=> H2O2 + C9H11", + index = 440, + label = "HO2-2 + C9H12 <=> H2O2-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(1.33e+11,'cm^3/(mol*s)'), n=0, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(1000,'K')), rank = 11, @@ -8451,8 +8363,8 @@ ) entry( - index = 447, - label = "C7H8 + O2 <=> HO2_r12 + C7H7", + index = 441, + label = "C7H8 + O2 <=> HO2-3 + C7H7", degeneracy = 6.0, kinetics = Arrhenius(A=(3.6e+12,'cm^3/(mol*s)'), n=0, Ea=(166.147,'kJ/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(1200,'K')), rank = 6, @@ -8464,8 +8376,8 @@ ) entry( - index = 448, - label = "C8H10 + O2 <=> HO2_r12 + C8H9", + index = 442, + label = "C8H10 + O2 <=> HO2-3 + C8H9", degeneracy = 4.0, kinetics = Arrhenius(A=(2.4e+12,'cm^3/(mol*s)'), n=0, Ea=(166.147,'kJ/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(1200,'K')), rank = 11, @@ -8477,8 +8389,8 @@ ) entry( - index = 449, - label = "C9H12 + O2 <=> HO2_r12 + C9H11", + index = 443, + label = "C9H12 + O2 <=> HO2-3 + C9H11", degeneracy = 2.0, kinetics = Arrhenius(A=(1.2e+12,'cm^3/(mol*s)'), n=0, Ea=(166.147,'kJ/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(1200,'K')), rank = 11, @@ -8490,8 +8402,8 @@ ) entry( - index = 450, - label = "C2H6O2 + C3H7 <=> C3H8 + CH3CH2OO_r3", + index = 444, + label = "C2H6O2-2 + C3H7-2 <=> C3H8-2 + C2H5O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.51e-11,'cm^3/(mol*s)'), n=6.77, Ea=(-35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8503,8 +8415,8 @@ ) entry( - index = 451, - label = "C3H8O2 + C3H7 <=> C3H8 + C3H7O2", + index = 445, + label = "C3H8O2 + C3H7-2 <=> C3H8-2 + C3H7O2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.51e-11,'cm^3/(mol*s)'), n=6.77, Ea=(-35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 6, @@ -8516,8 +8428,8 @@ ) entry( - index = 452, - label = "C2H6O2 + C2H5 <=> C2H6 + CH3CH2OO_r3", + index = 446, + label = "C2H6O2-2 + C2H5-2 <=> C2H6-2 + C2H5O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.51e-11,'cm^3/(mol*s)'), n=6.77, Ea=(-35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8529,8 +8441,8 @@ ) entry( - index = 453, - label = "C3H8O2 + C2H5 <=> C2H6 + C3H7O2", + index = 447, + label = "C3H8O2 + C2H5-2 <=> C2H6-2 + C3H7O2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.51e-11,'cm^3/(mol*s)'), n=6.77, Ea=(-35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8542,8 +8454,8 @@ ) entry( - index = 454, - label = "C3H7O2-2 + C2H6O2 <=> C3H8O2-2 + CH3CH2OO_r3", + index = 448, + label = "C3H7O2-2 + C2H6O2-2 <=> C3H8O2-2 + C2H5O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(5.066e-14,'cm^3/(mol*s)'), n=7.18, Ea=(-22.0497,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8555,7 +8467,7 @@ ) entry( - index = 455, + index = 449, label = "C3H7O2-2 + C3H8O2 <=> C3H8O2-2 + C3H7O2", degeneracy = 1.0, kinetics = Arrhenius(A=(5.066e-14,'cm^3/(mol*s)'), n=7.18, Ea=(-22.0497,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), @@ -8568,8 +8480,8 @@ ) entry( - index = 456, - label = "C2H6O2 + C2H3O <=> C2H4O + CH3CH2OO_r3", + index = 450, + label = "C2H6O2-2 + C2H3O-3 <=> C2H4O-3 + C2H5O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0009569,'cm^3/(mol*s)'), n=4.45, Ea=(177.164,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8581,8 +8493,8 @@ ) entry( - index = 457, - label = "C3H8O2 + C2H3O <=> C2H4O + C3H7O2", + index = 451, + label = "C3H8O2 + C2H3O-3 <=> C2H4O-3 + C3H7O2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0009569,'cm^3/(mol*s)'), n=4.45, Ea=(177.164,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 6, @@ -8594,8 +8506,8 @@ ) entry( - index = 458, - label = "C2H6O2 + C3H5O <=> C3H6O + CH3CH2OO_r3", + index = 452, + label = "C2H6O2-2 + C3H5O-2 <=> C3H6O-2 + C2H5O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.73e-10,'cm^3/(mol*s)'), n=6.3, Ea=(-8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8607,8 +8519,8 @@ ) entry( - index = 459, - label = "C3H8O2 + C3H5O <=> C3H6O + C3H7O2", + index = 453, + label = "C3H8O2 + C3H5O-2 <=> C3H6O-2 + C3H7O2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.73e-10,'cm^3/(mol*s)'), n=6.3, Ea=(-8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8620,8 +8532,8 @@ ) entry( - index = 460, - label = "C2H6O2 + C2H3O-2 <=> CH3CHO_r1 + CH3CH2OO_r3", + index = 454, + label = "C2H6O2-2 + C2H3O-5 <=> C2H4O-5 + C2H5O2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.73e-10,'cm^3/(mol*s)'), n=6.3, Ea=(-8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 11, @@ -8633,8 +8545,8 @@ ) entry( - index = 461, - label = "C3H8O2 + C2H3O-2 <=> CH3CHO_r1 + C3H7O2", + index = 455, + label = "C3H8O2 + C2H3O-5 <=> C2H4O-5 + C3H7O2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.73e-10,'cm^3/(mol*s)'), n=6.3, Ea=(-8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(1000,'K')), rank = 6, @@ -8646,7 +8558,7 @@ ) entry( - index = 462, + index = 456, label = "C2H5S + C2H4S <=> C2H6S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(4.36e-10,'cm^3/(mol*s)'), n=4.56, Ea=(89.9142,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -8659,8 +8571,8 @@ ) entry( - index = 463, - label = "C2H5 + C2H4S <=> C2H6 + C2H3S", + index = 457, + label = "C2H5-2 + C2H4S <=> C2H6-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.377,'cm^3/(mol*s)'), n=3.63, Ea=(77.4877,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -8672,8 +8584,8 @@ ) entry( - index = 464, - label = "SH + C3H6S <=> H2S_r + C3H5S", + index = 458, + label = "HS + C3H6S <=> H2S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(192.2,'cm^3/(mol*s)'), n=3.34, Ea=(-1.12968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -8685,8 +8597,8 @@ ) entry( - index = 465, - label = "CH3_r3 + C3H6S <=> CH4p + C3H5S", + index = 459, + label = "CH3-2 + C3H6S <=> CH4-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(24.2,'cm^3/(mol*s)'), n=3.35, Ea=(27.8236,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -8698,8 +8610,8 @@ ) entry( - index = 466, - label = "C3H6S-2 + CH3S <=> CH3SH_r1 + C3H5S-2", + index = 460, + label = "C3H6S-2 + CH3S-3 <=> CH4S-3 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0376,'cm^3/(mol*s)'), n=4.57, Ea=(16.987,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -8711,8 +8623,8 @@ ) entry( - index = 467, - label = "H + CH4O <=> H2_p + CH3O_p1", + index = 461, + label = "H + CH4O-2 <=> H2 + CH3O-2", degeneracy = 3.0, kinetics = Arrhenius(A=(1353,'cm^3/(mol*s)'), n=3.2, Ea=(14.6022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -8732,8 +8644,8 @@ ) entry( - index = 468, - label = "C4H10O-10 + C3H7 <=> C3H8 + C4H9O-10", + index = 462, + label = "C4H10O-15 + C3H7-2 <=> C3H8-2 + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(2.35e-06,'cm^3/(mol*s)'), n=4.84, Ea=(17.8657,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -8759,8 +8671,8 @@ ) entry( - index = 469, - label = "CHS + CH3SH_r1 <=> CH2S + CH3S", + index = 463, + label = "CHS + CH4S <=> CH2S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(395,'cm^3/(mol*s)'), n=3.17, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -8772,8 +8684,8 @@ ) entry( - index = 470, - label = "CH2S + CH3_r3 <=> CH4p + CHS_p1", + index = 464, + label = "CH2S-2 + CH3-2 <=> CH4-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(166400,'cm^3/(mol*s)'), n=2.3, Ea=(-0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -8785,8 +8697,8 @@ ) entry( - index = 471, - label = "OH + H2S_r <=> H2O_p + SH_p1", + index = 465, + label = "HO + H2S-2 <=> H2O + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.26e+08,'cm^3/(mol*s)'), n=1.71, Ea=(-2.80328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, @@ -8798,8 +8710,8 @@ ) entry( - index = 472, - label = "OH + CH3SH_r1 <=> H2O_p + CH3S", + index = 466, + label = "HO + CH4S <=> H2O + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(203000,'cm^3/(mol*s)'), n=2.41, Ea=(-17.531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, @@ -8811,8 +8723,8 @@ ) entry( - index = 473, - label = "CH3SH_r1 + CH3O-2 <=> CH4O-2 + CH3S", + index = 467, + label = "CH4S + CH3O-3 <=> CH4O-3 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(1.32e+06,'cm^3/(mol*s)'), n=2.09, Ea=(-1.96648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, @@ -8824,8 +8736,8 @@ ) entry( - index = 474, - label = "H2S_r + CH3O-2 <=> CH4O-2 + SH_p1", + index = 468, + label = "H2S-2 + CH3O-3 <=> CH4O-3 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(41800,'cm^3/(mol*s)'), n=2.44, Ea=(4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, @@ -8837,7 +8749,7 @@ ) entry( - index = 475, + index = 469, label = "C2H5S + C2H4O <=> C2H6S + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000194,'cm^3/(mol*s)'), n=4.68, Ea=(26.401,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -8850,8 +8762,8 @@ ) entry( - index = 476, - label = "C2H6OS + CH3_r3 <=> CH4p + C2H5OS", + index = 470, + label = "C2H6OS + CH3-2 <=> CH4-2 + C2H5OS", degeneracy = 1.0, kinetics = Arrhenius(A=(0.512,'cm^3/(mol*s)'), n=3.74, Ea=(15.5645,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -8863,8 +8775,8 @@ ) entry( - index = 477, - label = "CH2OS + CH3_r3 <=> CH4p + CHOS", + index = 471, + label = "CH2OS + CH3-2 <=> CH4-2 + CHOS", degeneracy = 1.0, kinetics = Arrhenius(A=(1.34,'cm^3/(mol*s)'), n=3.51, Ea=(-3.5564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, @@ -8876,8 +8788,8 @@ ) entry( - index = 478, - label = "SH + C2H6OS <=> H2S + C2H5OS", + index = 472, + label = "HS + C2H6OS <=> H2S + C2H5OS", degeneracy = 1.0, kinetics = Arrhenius(A=(111000,'cm^3/(mol*s)'), n=2.47, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -8889,8 +8801,8 @@ ) entry( - index = 479, - label = "SH + C2H4O <=> H2S + C2H3O", + index = 473, + label = "HS + C2H4O <=> H2S + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(11900,'cm^3/(mol*s)'), n=2.9, Ea=(0.75312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -8902,8 +8814,8 @@ ) entry( - index = 480, - label = "SH + C2H4O-2 <=> H2S + C2H3O-3", + index = 474, + label = "HS + C2H4O-6 <=> H2S + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0204,'cm^3/(mol*s)'), n=4.42, Ea=(27.8236,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -8915,8 +8827,8 @@ ) entry( - index = 481, - label = "C2H4O-2 + CH3S <=> CH3SH_r1 + C2H3O-3", + index = 475, + label = "C2H4O-6 + CH3S-3 <=> CH4S-3 + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(2.95e-06,'cm^3/(mol*s)'), n=5.63, Ea=(49.162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -8928,8 +8840,8 @@ ) entry( - index = 482, - label = "NH2_p23 + C2H6 <=> NH3_r + C2H5", + index = 476, + label = "H2N-2 + C2H6 <=> H3N-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(5.52e+06,'cm^3/(mol*s)'), n=1.94, Ea=(21.1707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -8941,8 +8853,8 @@ ) entry( - index = 483, - label = "CH3_p23 + C7H12 <=> CH4b + C7H11", + index = 477, + label = "CH3-2 + C7H12 <=> CH4-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.1016,'cm^3/(mol*s)'), n=4.24, Ea=(55.1451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -8954,8 +8866,8 @@ ) entry( - index = 484, - label = "NH2_p23 + C3H8 <=> NH3_r + C3H7", + index = 478, + label = "H2N-2 + C3H8 <=> H3N-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(1.84e+06,'cm^3/(mol*s)'), n=1.94, Ea=(23.6919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -8967,8 +8879,8 @@ ) entry( - index = 485, - label = "C2H5 + C7H12 <=> C2H6 + C7H11", + index = 479, + label = "C2H5-2 + C7H12 <=> C2H6-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.01176,'cm^3/(mol*s)'), n=4.24, Ea=(38.451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -8980,8 +8892,8 @@ ) entry( - index = 486, - label = "NH2_p23 + iC4H10b <=> NH3_r + C4H9-4", + index = 480, + label = "H2N-2 + C4H10-4 <=> H3N-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(24.7312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -8993,8 +8905,8 @@ ) entry( - index = 487, - label = "C3H7 + C7H12 <=> C3H8 + C7H11", + index = 481, + label = "C3H7-2 + C7H12 <=> C3H8-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.01768,'cm^3/(mol*s)'), n=4.24, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9006,8 +8918,8 @@ ) entry( - index = 488, - label = "H + NH3_r <=> H2 + NH2_p23", + index = 482, + label = "H + H3N <=> H2 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(7.2e+08,'cm^3/(mol*s)'), n=1.5, Ea=(48.8667,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -9019,8 +8931,8 @@ ) entry( - index = 489, - label = "C4H9-4 + C7H12 <=> iC4H10b + C7H11", + index = 483, + label = "C4H9-5 + C7H12 <=> C4H10-5 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.00528,'cm^3/(mol*s)'), n=4.24, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9032,8 +8944,8 @@ ) entry( - index = 490, - label = "NH3_r + O_rad <=> HO + NH2_p23", + index = 484, + label = "H3N + O <=> HO-2 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(5.1e+08,'cm^3/(mol*s)'), n=1.5, Ea=(116.662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -9045,8 +8957,8 @@ ) entry( - index = 491, - label = "C3H5 + C7H12 <=> C3H6 + C7H11", + index = 485, + label = "C3H5-3 + C7H12 <=> C3H6-3 + C7H11", degeneracy = 16.0, kinetics = Arrhenius(A=(0.2016,'cm^3/(mol*s)'), n=4.24, Ea=(92.4246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9058,8 +8970,8 @@ ) entry( - index = 492, - label = "OH_p23 + NH3_r <=> H2O + NH2_p23", + index = 486, + label = "HO + H3N <=> H2O + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=2, Ea=(109.424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -9071,8 +8983,8 @@ ) entry( - index = 493, - label = "C4H7-4 + C7H12 <=> C4H8-4 + C7H11", + index = 487, + label = "C4H7-10 + C7H12 <=> C4H8-10 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.04536,'cm^3/(mol*s)'), n=4.24, Ea=(80.542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9084,8 +8996,8 @@ ) entry( - index = 494, - label = "CH3_p23 + NH3_r <=> CH4b + NH2_p23", + index = 488, + label = "CH3-2 + H3N <=> CH4-2 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(2.43e+06,'cm^3/(mol*s)'), n=1.87, Ea=(86.9142,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -9097,8 +9009,8 @@ ) entry( - index = 495, - label = "C5H9-5 + C7H12 <=> C5H10-3 + C7H11", + index = 489, + label = "C5H9-6 + C7H12 <=> C5H10-6 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.007048,'cm^3/(mol*s)'), n=4.24, Ea=(76.0233,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9110,7 +9022,7 @@ ) entry( - index = 496, + index = 490, label = "C5H7-2 + C7H12 <=> C5H8-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.152,'cm^3/(mol*s)'), n=4.24, Ea=(118.742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9123,7 +9035,7 @@ ) entry( - index = 497, + index = 491, label = "C6H9 + C7H12 <=> C6H10 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.007688,'cm^3/(mol*s)'), n=4.24, Ea=(103.763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9136,8 +9048,8 @@ ) entry( - index = 498, - label = "C3H3-2 + C7H12 <=> C3H4 + C7H11", + index = 492, + label = "C3H3-3 + C7H12 <=> C3H4-3 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.046,'cm^3/(mol*s)'), n=4.24, Ea=(87.4038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9149,8 +9061,8 @@ ) entry( - index = 499, - label = "C4H5-5 + C7H12 <=> C4H6 + C7H11", + index = 493, + label = "C4H5-6 + C7H12 <=> C4H6-6 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.01088,'cm^3/(mol*s)'), n=4.24, Ea=(74.5589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9162,8 +9074,8 @@ ) entry( - index = 500, - label = "C5H7-3 + C7H12 <=> C5H8 + C7H11", + index = 494, + label = "C5H7-3 + C7H12 <=> C5H8-3 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.004392,'cm^3/(mol*s)'), n=4.24, Ea=(72.425,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9175,7 +9087,7 @@ ) entry( - index = 501, + index = 495, label = "C5H3 + C7H12 <=> C5H4 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.04616,'cm^3/(mol*s)'), n=4.24, Ea=(79.496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9188,8 +9100,8 @@ ) entry( - index = 502, - label = "C6H5-2 + C7H12 <=> C6H6-2 + C7H11", + index = 496, + label = "C6H5-3 + C7H12 <=> C6H6-3 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.001288,'cm^3/(mol*s)'), n=4.24, Ea=(82.4248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9201,8 +9113,8 @@ ) entry( - index = 503, - label = "C7H7 + C7H12 <=> C7H8 + C7H11", + index = 497, + label = "C7H7-5 + C7H12 <=> C7H8-5 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.0984,'cm^3/(mol*s)'), n=4.24, Ea=(81.5964,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9214,8 +9126,8 @@ ) entry( - index = 504, - label = "C8H9 + C7H12 <=> C8H10 + C7H11", + index = 498, + label = "C8H9-2 + C7H12 <=> C8H10-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.02888,'cm^3/(mol*s)'), n=4.24, Ea=(70.651,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9227,8 +9139,8 @@ ) entry( - index = 505, - label = "C9H11 + C7H12 <=> C9H12 + C7H11", + index = 499, + label = "C9H11-2 + C7H12 <=> C9H12-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.0007816,'cm^3/(mol*s)'), n=4.24, Ea=(72.2577,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9240,7 +9152,7 @@ ) entry( - index = 506, + index = 500, label = "C2H3 + C7H12 <=> C2H4 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.0952,'cm^3/(mol*s)'), n=4.24, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9253,7 +9165,7 @@ ) entry( - index = 507, + index = 501, label = "C3H5-2 + C7H12 <=> C3H6-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.05376,'cm^3/(mol*s)'), n=4.24, Ea=(7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9266,8 +9178,8 @@ ) entry( - index = 508, - label = "C4H5-3 + C7H12 <=> C4H6-4 + C7H11", + index = 502, + label = "C4H5-7 + C7H12 <=> C4H6-7 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.04512,'cm^3/(mol*s)'), n=4.24, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9279,8 +9191,8 @@ ) entry( - index = 509, - label = "C6H5 + C7H12 <=> C6H6 + C7H11", + index = 503, + label = "C6H5-2 + C7H12 <=> C6H6-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.1136,'cm^3/(mol*s)'), n=4.24, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9292,8 +9204,8 @@ ) entry( - index = 510, - label = "C4H3 + C7H12 <=> C4H4 + C7H11", + index = 504, + label = "C4H3-2 + C7H12 <=> C4H4-2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(0.00968,'cm^3/(mol*s)'), n=4.24, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9305,8 +9217,8 @@ ) entry( - index = 511, - label = "CH3_p23 + C7H12-2 <=> CH4b + C7H11-2", + index = 505, + label = "CH3-2 + C7H12-2 <=> CH4-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0366,'cm^3/(mol*s)'), n=4.24, Ea=(77.8642,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9318,8 +9230,8 @@ ) entry( - index = 512, - label = "C2H5 + C7H12-2 <=> C2H6 + C7H11-2", + index = 506, + label = "C2H5-2 + C7H12-2 <=> C2H6-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0032,'cm^3/(mol*s)'), n=4.24, Ea=(61.1701,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9331,8 +9243,8 @@ ) entry( - index = 513, - label = "C3H7 + C7H12-2 <=> C3H8 + C7H11-2", + index = 507, + label = "C3H7-2 + C7H12-2 <=> C3H8-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00362,'cm^3/(mol*s)'), n=4.24, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9344,8 +9256,8 @@ ) entry( - index = 514, - label = "C4H9-4 + C7H12-2 <=> iC4H10b + C7H11-2", + index = 508, + label = "C4H9-5 + C7H12-2 <=> C4H10-5 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000816,'cm^3/(mol*s)'), n=4.24, Ea=(45.6893,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9357,8 +9269,8 @@ ) entry( - index = 515, - label = "C3H5 + C7H12-2 <=> C3H6 + C7H11-2", + index = 509, + label = "C3H5-3 + C7H12-2 <=> C3H6-3 + C7H11-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.05,'cm^3/(mol*s)'), n=4.24, Ea=(115.144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9370,8 +9282,8 @@ ) entry( - index = 516, - label = "C4H7-4 + C7H12-2 <=> C4H8-4 + C7H11-2", + index = 510, + label = "C4H7-10 + C7H12-2 <=> C4H8-10 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00848,'cm^3/(mol*s)'), n=4.24, Ea=(103.261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9383,8 +9295,8 @@ ) entry( - index = 517, - label = "C5H9-5 + C7H12-2 <=> C5H10-3 + C7H11-2", + index = 511, + label = "C5H9-6 + C7H12-2 <=> C5H10-6 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000996,'cm^3/(mol*s)'), n=4.24, Ea=(98.7424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9396,7 +9308,7 @@ ) entry( - index = 518, + index = 512, label = "C5H7-2 + C7H12-2 <=> C5H8-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.026,'cm^3/(mol*s)'), n=4.24, Ea=(141.461,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9409,7 +9321,7 @@ ) entry( - index = 519, + index = 513, label = "C6H9 + C7H12-2 <=> C6H10 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00099,'cm^3/(mol*s)'), n=4.24, Ea=(103.345,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9422,8 +9334,8 @@ ) entry( - index = 520, - label = "C3H3-2 + C7H12-2 <=> C3H4 + C7H11-2", + index = 514, + label = "C3H3-3 + C7H12-2 <=> C3H4-3 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0114,'cm^3/(mol*s)'), n=4.24, Ea=(110.123,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9435,8 +9347,8 @@ ) entry( - index = 521, - label = "C4H5-5 + C7H12-2 <=> C4H6 + C7H11-2", + index = 515, + label = "C4H5-6 + C7H12-2 <=> C4H6-6 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00204,'cm^3/(mol*s)'), n=4.24, Ea=(97.278,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9448,8 +9360,8 @@ ) entry( - index = 522, - label = "C5H7-3 + C7H12-2 <=> C5H8 + C7H11-2", + index = 516, + label = "C5H7-3 + C7H12-2 <=> C5H8-3 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00062,'cm^3/(mol*s)'), n=4.24, Ea=(95.1442,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9461,7 +9373,7 @@ ) entry( - index = 523, + index = 517, label = "C5H3 + C7H12-2 <=> C5H4 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00788,'cm^3/(mol*s)'), n=4.24, Ea=(79.496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9474,8 +9386,8 @@ ) entry( - index = 524, - label = "C6H5-2 + C7H12-2 <=> C6H6-2 + C7H11-2", + index = 518, + label = "C6H5-3 + C7H12-2 <=> C6H6-3 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001664,'cm^3/(mol*s)'), n=4.24, Ea=(81.588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9487,8 +9399,8 @@ ) entry( - index = 525, - label = "C7H7 + C7H12-2 <=> C7H8 + C7H11-2", + index = 519, + label = "C7H7-5 + C7H12-2 <=> C7H8-5 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0244,'cm^3/(mol*s)'), n=4.24, Ea=(104.315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9500,8 +9412,8 @@ ) entry( - index = 526, - label = "C8H9 + C7H12-2 <=> C8H10 + C7H11-2", + index = 520, + label = "C8H9-2 + C7H12-2 <=> C8H10-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0054,'cm^3/(mol*s)'), n=4.24, Ea=(93.3701,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9513,8 +9425,8 @@ ) entry( - index = 527, - label = "C9H11 + C7H12-2 <=> C9H12 + C7H11-2", + index = 521, + label = "C9H11-2 + C7H12-2 <=> C9H12-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001104,'cm^3/(mol*s)'), n=4.24, Ea=(94.9768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9526,7 +9438,7 @@ ) entry( - index = 528, + index = 522, label = "C2H3 + C7H12-2 <=> C2H4 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0344,'cm^3/(mol*s)'), n=4.24, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9539,7 +9451,7 @@ ) entry( - index = 529, + index = 523, label = "C3H5-2 + C7H12-2 <=> C3H6-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0146,'cm^3/(mol*s)'), n=4.24, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9552,8 +9464,8 @@ ) entry( - index = 530, - label = "C4H5-3 + C7H12-2 <=> C4H6-4 + C7H11-2", + index = 524, + label = "C4H5-7 + C7H12-2 <=> C4H6-7 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01626,'cm^3/(mol*s)'), n=4.24, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9565,8 +9477,8 @@ ) entry( - index = 531, - label = "C6H5 + C7H12-2 <=> C6H6 + C7H11-2", + index = 525, + label = "C6H5-2 + C7H12-2 <=> C6H6-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.041,'cm^3/(mol*s)'), n=4.24, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9578,8 +9490,8 @@ ) entry( - index = 532, - label = "C4H3 + C7H12-2 <=> C4H4 + C7H11-2", + index = 526, + label = "C4H3-2 + C7H12-2 <=> C4H4-2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00348,'cm^3/(mol*s)'), n=4.24, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9591,8 +9503,8 @@ ) entry( - index = 533, - label = "CH3_p23 + C7H12-3 <=> CH4b + C7H11-3", + index = 527, + label = "CH3-2 + C7H12-3 <=> CH4-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01452,'cm^3/(mol*s)'), n=4.24, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9604,8 +9516,8 @@ ) entry( - index = 534, - label = "C2H5 + C7H12-3 <=> C2H6 + C7H11-3", + index = 528, + label = "C2H5-2 + C7H12-3 <=> C2H6-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001684,'cm^3/(mol*s)'), n=4.24, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9617,8 +9529,8 @@ ) entry( - index = 535, - label = "C3H7 + C7H12-3 <=> C3H8 + C7H11-3", + index = 529, + label = "C3H7-2 + C7H12-3 <=> C3H8-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00254,'cm^3/(mol*s)'), n=4.24, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9630,8 +9542,8 @@ ) entry( - index = 536, - label = "C4H9-4 + C7H12-3 <=> iC4H10b + C7H11-3", + index = 530, + label = "C4H9-5 + C7H12-3 <=> C4H10-5 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000756,'cm^3/(mol*s)'), n=4.24, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9643,8 +9555,8 @@ ) entry( - index = 537, - label = "C3H5 + C7H12-3 <=> C3H6 + C7H11-3", + index = 531, + label = "C3H5-3 + C7H12-3 <=> C3H6-3 + C7H11-3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02896,'cm^3/(mol*s)'), n=4.24, Ea=(77.8224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9656,8 +9568,8 @@ ) entry( - index = 538, - label = "C4H7-4 + C7H12-3 <=> C4H8-4 + C7H11-3", + index = 532, + label = "C4H7-10 + C7H12-3 <=> C4H8-10 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0065,'cm^3/(mol*s)'), n=4.24, Ea=(83.68,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9669,8 +9581,8 @@ ) entry( - index = 539, - label = "C5H9-5 + C7H12-3 <=> C5H10-3 + C7H11-3", + index = 533, + label = "C5H9-6 + C7H12-3 <=> C5H10-6 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00101,'cm^3/(mol*s)'), n=4.24, Ea=(84.0984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9682,7 +9594,7 @@ ) entry( - index = 540, + index = 534, label = "C5H7-2 + C7H12-3 <=> C5H8-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0218,'cm^3/(mol*s)'), n=4.24, Ea=(111.713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9695,7 +9607,7 @@ ) entry( - index = 541, + index = 535, label = "C6H9 + C7H12-3 <=> C6H10 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0011,'cm^3/(mol*s)'), n=4.24, Ea=(112.131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9708,8 +9620,8 @@ ) entry( - index = 542, - label = "C3H3-2 + C7H12-3 <=> C3H4 + C7H11-3", + index = 536, + label = "C3H3-3 + C7H12-3 <=> C3H4-3 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00658,'cm^3/(mol*s)'), n=4.24, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9721,8 +9633,8 @@ ) entry( - index = 543, - label = "C4H5-5 + C7H12-3 <=> C4H6 + C7H11-3", + index = 537, + label = "C4H5-6 + C7H12-3 <=> C4H6-6 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001558,'cm^3/(mol*s)'), n=4.24, Ea=(66.944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9734,8 +9646,8 @@ ) entry( - index = 544, - label = "C5H7-3 + C7H12-3 <=> C5H8 + C7H11-3", + index = 538, + label = "C5H7-3 + C7H12-3 <=> C5H8-3 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000628,'cm^3/(mol*s)'), n=4.24, Ea=(69.036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9747,7 +9659,7 @@ ) entry( - index = 545, + index = 539, label = "C5H3 + C7H12-3 <=> C5H4 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00662,'cm^3/(mol*s)'), n=4.24, Ea=(87.864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9760,8 +9672,8 @@ ) entry( - index = 546, - label = "C6H5-2 + C7H12-3 <=> C6H6-2 + C7H11-3", + index = 540, + label = "C6H5-3 + C7H12-3 <=> C6H6-3 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000185,'cm^3/(mol*s)'), n=4.24, Ea=(90.3744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9773,8 +9685,8 @@ ) entry( - index = 547, - label = "C7H7 + C7H12-3 <=> C7H8 + C7H11-3", + index = 541, + label = "C7H7-5 + C7H12-3 <=> C7H8-5 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01412,'cm^3/(mol*s)'), n=4.24, Ea=(69.036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9786,8 +9698,8 @@ ) entry( - index = 548, - label = "C8H9 + C7H12-3 <=> C8H10 + C7H11-3", + index = 542, + label = "C8H9-2 + C7H12-3 <=> C8H10-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00412,'cm^3/(mol*s)'), n=4.24, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9799,8 +9711,8 @@ ) entry( - index = 549, - label = "C9H11 + C7H12-3 <=> C9H12 + C7H11-3", + index = 543, + label = "C9H11-2 + C7H12-3 <=> C9H12-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000112,'cm^3/(mol*s)'), n=4.24, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9812,7 +9724,7 @@ ) entry( - index = 550, + index = 544, label = "C2H3 + C7H12-3 <=> C2H4 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01368,'cm^3/(mol*s)'), n=4.24, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9825,7 +9737,7 @@ ) entry( - index = 551, + index = 545, label = "C3H5-2 + C7H12-3 <=> C3H6-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0077,'cm^3/(mol*s)'), n=4.24, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9838,8 +9750,8 @@ ) entry( - index = 552, - label = "C4H5-3 + C7H12-3 <=> C4H6-4 + C7H11-3", + index = 546, + label = "C4H5-7 + C7H12-3 <=> C4H6-7 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00646,'cm^3/(mol*s)'), n=4.24, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9851,8 +9763,8 @@ ) entry( - index = 553, - label = "C6H5 + C7H12-3 <=> C6H6 + C7H11-3", + index = 547, + label = "C6H5-2 + C7H12-3 <=> C6H6-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01626,'cm^3/(mol*s)'), n=4.24, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9864,8 +9776,8 @@ ) entry( - index = 554, - label = "C4H3 + C7H12-3 <=> C4H4 + C7H11-3", + index = 548, + label = "C4H3-2 + C7H12-3 <=> C4H4-2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001386,'cm^3/(mol*s)'), n=4.24, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9877,8 +9789,8 @@ ) entry( - index = 555, - label = "CH3_p23 + C8H14 <=> CH4b + C8H13", + index = 549, + label = "CH3-2 + C8H14 <=> CH4-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0133,'cm^3/(mol*s)'), n=4.24, Ea=(28.8278,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9890,8 +9802,8 @@ ) entry( - index = 556, - label = "C2H5 + C8H14 <=> C2H6 + C8H13", + index = 550, + label = "C2H5-2 + C8H14 <=> C2H6-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001164,'cm^3/(mol*s)'), n=4.24, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9903,8 +9815,8 @@ ) entry( - index = 557, - label = "C3H7 + C8H14 <=> C3H8 + C8H13", + index = 551, + label = "C3H7-2 + C8H14 <=> C3H8-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00132,'cm^3/(mol*s)'), n=4.24, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9916,8 +9828,8 @@ ) entry( - index = 558, - label = "C4H9-4 + C8H14 <=> iC4H10b + C8H13", + index = 552, + label = "C4H9-5 + C8H14 <=> C4H10-5 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000298,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9929,8 +9841,8 @@ ) entry( - index = 559, - label = "C3H5 + C8H14 <=> C3H6 + C8H13", + index = 553, + label = "C3H5-3 + C8H14 <=> C3H6-3 + C8H13", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01828,'cm^3/(mol*s)'), n=4.24, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9942,8 +9854,8 @@ ) entry( - index = 560, - label = "C4H7-4 + C8H14 <=> C4H8-4 + C8H13", + index = 554, + label = "C4H7-10 + C8H14 <=> C4H8-10 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00308,'cm^3/(mol*s)'), n=4.24, Ea=(68.6176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9955,8 +9867,8 @@ ) entry( - index = 561, - label = "C5H9-5 + C8H14 <=> C5H10-3 + C8H13", + index = 555, + label = "C5H9-6 + C8H14 <=> C5H10-6 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000362,'cm^3/(mol*s)'), n=4.24, Ea=(68.1992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -9968,7 +9880,7 @@ ) entry( - index = 562, + index = 556, label = "C5H7-2 + C8H14 <=> C5H8-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00946,'cm^3/(mol*s)'), n=4.24, Ea=(93.3032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9981,7 +9893,7 @@ ) entry( - index = 563, + index = 557, label = "C6H9 + C8H14 <=> C6H10 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00036,'cm^3/(mol*s)'), n=4.24, Ea=(92.8848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -9994,8 +9906,8 @@ ) entry( - index = 564, - label = "C3H3-2 + C8H14 <=> C3H4 + C8H13", + index = 558, + label = "C3H3-3 + C8H14 <=> C3H4-3 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00416,'cm^3/(mol*s)'), n=4.24, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10007,8 +9919,8 @@ ) entry( - index = 565, - label = "C4H5-5 + C8H14 <=> C4H6 + C8H13", + index = 559, + label = "C4H5-6 + C8H14 <=> C4H6-6 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000742,'cm^3/(mol*s)'), n=4.24, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10020,8 +9932,8 @@ ) entry( - index = 566, - label = "C5H7-3 + C8H14 <=> C5H8 + C8H13", + index = 560, + label = "C5H7-3 + C8H14 <=> C5H8-3 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000226,'cm^3/(mol*s)'), n=4.24, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10033,7 +9945,7 @@ ) entry( - index = 567, + index = 561, label = "C5H3 + C8H14 <=> C5H4 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00288,'cm^3/(mol*s)'), n=4.24, Ea=(69.4544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10046,8 +9958,8 @@ ) entry( - index = 568, - label = "C6H5-2 + C8H14 <=> C6H6-2 + C8H13", + index = 562, + label = "C6H5-3 + C8H14 <=> C6H6-3 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(6.06e-05,'cm^3/(mol*s)'), n=4.24, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10059,8 +9971,8 @@ ) entry( - index = 569, - label = "C7H7 + C8H14 <=> C7H8 + C8H13", + index = 563, + label = "C7H7-5 + C8H14 <=> C7H8-5 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00892,'cm^3/(mol*s)'), n=4.24, Ea=(55.279,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10072,8 +9984,8 @@ ) entry( - index = 570, - label = "C8H9 + C8H14 <=> C8H10 + C8H13", + index = 564, + label = "C8H9-2 + C8H14 <=> C8H10-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001966,'cm^3/(mol*s)'), n=4.24, Ea=(56.0656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10085,8 +9997,8 @@ ) entry( - index = 571, - label = "C9H11 + C8H14 <=> C9H12 + C8H13", + index = 565, + label = "C9H11-2 + C8H14 <=> C9H12-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(4.02e-05,'cm^3/(mol*s)'), n=4.24, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10098,7 +10010,7 @@ ) entry( - index = 572, + index = 566, label = "C2H3 + C8H14 <=> C2H4 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01254,'cm^3/(mol*s)'), n=4.24, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10111,7 +10023,7 @@ ) entry( - index = 573, + index = 567, label = "C3H5-2 + C8H14 <=> C3H6-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00532,'cm^3/(mol*s)'), n=4.24, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10124,8 +10036,8 @@ ) entry( - index = 574, - label = "C4H5-3 + C8H14 <=> C4H6-4 + C8H13", + index = 568, + label = "C4H5-7 + C8H14 <=> C4H6-7 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00592,'cm^3/(mol*s)'), n=4.24, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10137,8 +10049,8 @@ ) entry( - index = 575, - label = "C6H5 + C8H14 <=> C6H6 + C8H13", + index = 569, + label = "C6H5-2 + C8H14 <=> C6H6-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0149,'cm^3/(mol*s)'), n=4.24, Ea=(-7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10150,8 +10062,8 @@ ) entry( - index = 576, - label = "C4H3 + C8H14 <=> C4H4 + C8H13", + index = 570, + label = "C4H3-2 + C8H14 <=> C4H4-2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00127,'cm^3/(mol*s)'), n=4.24, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10163,8 +10075,8 @@ ) entry( - index = 577, - label = "CH3_p23 + C9H16 <=> CH4b + C9H15", + index = 571, + label = "CH3-2 + C9H16 <=> CH4-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0416,'cm^3/(mol*s)'), n=4.24, Ea=(27.6562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10176,8 +10088,8 @@ ) entry( - index = 578, - label = "C2H5 + C9H16 <=> C2H6 + C9H15", + index = 572, + label = "C2H5-2 + C9H16 <=> C2H6-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00484,'cm^3/(mol*s)'), n=4.24, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10189,8 +10101,8 @@ ) entry( - index = 579, - label = "C3H7 + C9H16 <=> C3H8 + C9H15", + index = 573, + label = "C3H7-2 + C9H16 <=> C3H8-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00728,'cm^3/(mol*s)'), n=4.24, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10202,8 +10114,8 @@ ) entry( - index = 580, - label = "C4H9-4 + C9H16 <=> iC4H10b + C9H15", + index = 574, + label = "C4H9-5 + C9H16 <=> C4H10-5 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.002172,'cm^3/(mol*s)'), n=4.24, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10215,8 +10127,8 @@ ) entry( - index = 581, - label = "C3H5 + C9H16 <=> C3H6 + C9H15", + index = 575, + label = "C3H5-3 + C9H16 <=> C3H6-3 + C9H15", degeneracy = 8.0, kinetics = Arrhenius(A=(0.0832,'cm^3/(mol*s)'), n=4.24, Ea=(71.5464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10228,8 +10140,8 @@ ) entry( - index = 582, - label = "C4H7-4 + C9H16 <=> C4H8-4 + C9H15", + index = 576, + label = "C4H7-10 + C9H16 <=> C4H8-10 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01864,'cm^3/(mol*s)'), n=4.24, Ea=(77.404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10241,8 +10153,8 @@ ) entry( - index = 583, - label = "C5H9-5 + C9H16 <=> C5H10-3 + C9H15", + index = 577, + label = "C5H9-6 + C9H16 <=> C5H10-6 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.002896,'cm^3/(mol*s)'), n=4.24, Ea=(77.8224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10254,7 +10166,7 @@ ) entry( - index = 584, + index = 578, label = "C5H7-2 + C9H16 <=> C5H8-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0624,'cm^3/(mol*s)'), n=4.24, Ea=(105.437,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10267,7 +10179,7 @@ ) entry( - index = 585, + index = 579, label = "C6H9 + C9H16 <=> C6H10 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.003156,'cm^3/(mol*s)'), n=4.24, Ea=(105.855,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10280,8 +10192,8 @@ ) entry( - index = 586, - label = "C3H3-2 + C9H16 <=> C3H4 + C9H15", + index = 580, + label = "C3H3-3 + C9H16 <=> C3H4-3 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01888,'cm^3/(mol*s)'), n=4.24, Ea=(59.9149,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10293,8 +10205,8 @@ ) entry( - index = 587, - label = "C4H5-5 + C9H16 <=> C4H6 + C9H15", + index = 581, + label = "C4H5-6 + C9H16 <=> C4H6-6 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00448,'cm^3/(mol*s)'), n=4.24, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10306,8 +10218,8 @@ ) entry( - index = 588, - label = "C5H7-3 + C9H16 <=> C5H8 + C9H15", + index = 582, + label = "C5H7-3 + C9H16 <=> C5H8-3 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.001804,'cm^3/(mol*s)'), n=4.24, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10319,7 +10231,7 @@ ) entry( - index = 589, + index = 583, label = "C5H3 + C9H16 <=> C5H4 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01896,'cm^3/(mol*s)'), n=4.24, Ea=(81.588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10332,8 +10244,8 @@ ) entry( - index = 590, - label = "C6H5-2 + C9H16 <=> C6H6-2 + C9H15", + index = 584, + label = "C6H5-3 + C9H16 <=> C6H6-3 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.000532,'cm^3/(mol*s)'), n=4.24, Ea=(84.0984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10345,8 +10257,8 @@ ) entry( - index = 591, - label = "C7H7 + C9H16 <=> C7H8 + C9H15", + index = 585, + label = "C7H7-5 + C9H16 <=> C7H8-5 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0404,'cm^3/(mol*s)'), n=4.24, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10358,8 +10270,8 @@ ) entry( - index = 592, - label = "C8H9 + C9H16 <=> C8H10 + C9H15", + index = 586, + label = "C8H9-2 + C9H16 <=> C8H10-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01184,'cm^3/(mol*s)'), n=4.24, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10371,8 +10283,8 @@ ) entry( - index = 593, - label = "C9H11 + C9H16 <=> C9H12 + C9H15", + index = 587, + label = "C9H11-2 + C9H16 <=> C9H12-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0003212,'cm^3/(mol*s)'), n=4.24, Ea=(61.5048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10384,7 +10296,7 @@ ) entry( - index = 594, + index = 588, label = "C2H3 + C9H16 <=> C2H4 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.03924,'cm^3/(mol*s)'), n=4.24, Ea=(7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10397,7 +10309,7 @@ ) entry( - index = 595, + index = 589, label = "C3H5-2 + C9H16 <=> C3H6-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02208,'cm^3/(mol*s)'), n=4.24, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10410,8 +10322,8 @@ ) entry( - index = 596, - label = "C4H5-3 + C9H16 <=> C4H6-4 + C9H15", + index = 590, + label = "C4H5-7 + C9H16 <=> C4H6-7 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01852,'cm^3/(mol*s)'), n=4.24, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10423,8 +10335,8 @@ ) entry( - index = 597, - label = "C6H5 + C9H16 <=> C6H6 + C9H15", + index = 591, + label = "C6H5-2 + C9H16 <=> C6H6-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0468,'cm^3/(mol*s)'), n=4.24, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10436,8 +10348,8 @@ ) entry( - index = 598, - label = "C4H3 + C9H16 <=> C4H4 + C9H15", + index = 592, + label = "C4H3-2 + C9H16 <=> C4H4-2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(0.003976,'cm^3/(mol*s)'), n=4.24, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10449,8 +10361,8 @@ ) entry( - index = 599, - label = "CH3_p23 + C9H16-2 <=> CH4b + C9H15-2", + index = 593, + label = "CH3-2 + C9H16-2 <=> CH4-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0302,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10462,8 +10374,8 @@ ) entry( - index = 600, - label = "C2H5 + C9H16-2 <=> C2H6 + C9H15-2", + index = 594, + label = "C2H5-2 + C9H16-2 <=> C2H6-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0035,'cm^3/(mol*s)'), n=4.24, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10475,8 +10387,8 @@ ) entry( - index = 601, - label = "C3H7 + C9H16-2 <=> C3H8 + C9H15-2", + index = 595, + label = "C3H7-2 + C9H16-2 <=> C3H8-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00526,'cm^3/(mol*s)'), n=4.24, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10488,8 +10400,8 @@ ) entry( - index = 602, - label = "C4H9-4 + C9H16-2 <=> iC4H10b + C9H15-2", + index = 596, + label = "C4H9-5 + C9H16-2 <=> C4H10-5 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001574,'cm^3/(mol*s)'), n=4.24, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10501,8 +10413,8 @@ ) entry( - index = 603, - label = "C3H5 + C9H16-2 <=> C3H6 + C9H15-2", + index = 597, + label = "C3H5-3 + C9H16-2 <=> C3H6-3 + C9H15-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0604,'cm^3/(mol*s)'), n=4.24, Ea=(70.2912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10514,8 +10426,8 @@ ) entry( - index = 604, - label = "C4H7-4 + C9H16-2 <=> C4H8-4 + C9H15-2", + index = 598, + label = "C4H7-10 + C9H16-2 <=> C4H8-10 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0135,'cm^3/(mol*s)'), n=4.24, Ea=(76.1488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10527,8 +10439,8 @@ ) entry( - index = 605, - label = "C5H9-5 + C9H16-2 <=> C5H10-3 + C9H15-2", + index = 599, + label = "C5H9-6 + C9H16-2 <=> C5H10-6 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0021,'cm^3/(mol*s)'), n=4.24, Ea=(76.1488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10540,7 +10452,7 @@ ) entry( - index = 606, + index = 600, label = "C5H7-2 + C9H16-2 <=> C5H8-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0452,'cm^3/(mol*s)'), n=4.24, Ea=(104.182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10553,7 +10465,7 @@ ) entry( - index = 607, + index = 601, label = "C6H9 + C9H16-2 <=> C6H10 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00228,'cm^3/(mol*s)'), n=4.24, Ea=(104.182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10566,8 +10478,8 @@ ) entry( - index = 608, - label = "C3H3-2 + C9H16-2 <=> C3H4 + C9H15-2", + index = 602, + label = "C3H3-3 + C9H16-2 <=> C3H4-3 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0137,'cm^3/(mol*s)'), n=4.24, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10579,8 +10491,8 @@ ) entry( - index = 609, - label = "C4H5-5 + C9H16-2 <=> C4H6 + C9H15-2", + index = 603, + label = "C4H5-6 + C9H16-2 <=> C4H6-6 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00324,'cm^3/(mol*s)'), n=4.24, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10592,8 +10504,8 @@ ) entry( - index = 610, - label = "C5H7-3 + C9H16-2 <=> C5H8 + C9H15-2", + index = 604, + label = "C5H7-3 + C9H16-2 <=> C5H8-3 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001308,'cm^3/(mol*s)'), n=4.24, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10605,7 +10517,7 @@ ) entry( - index = 611, + index = 605, label = "C5H3 + C9H16-2 <=> C5H4 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01376,'cm^3/(mol*s)'), n=4.24, Ea=(79.9144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10618,8 +10530,8 @@ ) entry( - index = 612, - label = "C6H5-2 + C9H16-2 <=> C6H6-2 + C9H15-2", + index = 606, + label = "C6H5-3 + C9H16-2 <=> C6H6-3 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000384,'cm^3/(mol*s)'), n=4.24, Ea=(82.8432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10631,8 +10543,8 @@ ) entry( - index = 613, - label = "C7H7 + C9H16-2 <=> C7H8 + C9H15-2", + index = 607, + label = "C7H7-5 + C9H16-2 <=> C7H8-5 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0294,'cm^3/(mol*s)'), n=4.24, Ea=(61.5048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10644,8 +10556,8 @@ ) entry( - index = 614, - label = "C8H9 + C9H16-2 <=> C8H10 + C9H15-2", + index = 608, + label = "C8H9-2 + C9H16-2 <=> C8H10-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0086,'cm^3/(mol*s)'), n=4.24, Ea=(63.1784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10657,8 +10569,8 @@ ) entry( - index = 615, - label = "C9H11 + C9H16-2 <=> C9H12 + C9H15-2", + index = 609, + label = "C9H11-2 + C9H16-2 <=> C9H12-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000232,'cm^3/(mol*s)'), n=4.24, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10670,7 +10582,7 @@ ) entry( - index = 616, + index = 610, label = "C2H3 + C9H16-2 <=> C2H4 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0284,'cm^3/(mol*s)'), n=4.24, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10683,7 +10595,7 @@ ) entry( - index = 617, + index = 611, label = "C3H5-2 + C9H16-2 <=> C3H6-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.016,'cm^3/(mol*s)'), n=4.24, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -10696,8 +10608,8 @@ ) entry( - index = 618, - label = "C4H5-3 + C9H16-2 <=> C4H6-4 + C9H15-2", + index = 612, + label = "C4H5-7 + C9H16-2 <=> C4H6-7 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01344,'cm^3/(mol*s)'), n=4.24, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10709,8 +10621,8 @@ ) entry( - index = 619, - label = "C6H5 + C9H16-2 <=> C6H6 + C9H15-2", + index = 613, + label = "C6H5-2 + C9H16-2 <=> C6H6-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0338,'cm^3/(mol*s)'), n=4.24, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10722,8 +10634,8 @@ ) entry( - index = 620, - label = "C4H3 + C9H16-2 <=> C4H4 + C9H15-2", + index = 614, + label = "C4H3-2 + C9H16-2 <=> C4H4-2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00288,'cm^3/(mol*s)'), n=4.24, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -10735,8 +10647,8 @@ ) entry( - index = 621, - label = "H + NH3_r <=> H2 + NH2_p23", + index = 615, + label = "H + H3N <=> H2 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(2.89e+06,'cm^3/(mol*s)'), n=2.23036, Ea=(10407,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 1, @@ -10749,8 +10661,8 @@ ) entry( - index = 622, - label = "OH_p23 + NH3_r <=> H2O + NH2_p23", + index = 616, + label = "HO + H3N <=> H2O + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(1.5e+08,'cm^3/(mol*s)'), n=1.6, Ea=(109.424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10764,8 +10676,8 @@ ) entry( - index = 623, - label = "NH3_r + O_rad <=> HO + NH2_p23", + index = 617, + label = "H3N + O <=> HO-2 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(2.82e+07,'cm^3/(mol*s)'), n=1.94, Ea=(116.662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10779,8 +10691,8 @@ ) entry( - index = 624, - label = "H + NH2_r12 <=> H2 + NH_p23", + index = 618, + label = "H + H2N-4 <=> H2 + HN-3", degeneracy = 2.0, kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(33.221,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -10792,8 +10704,8 @@ ) entry( - index = 625, - label = "NH2_r12 + O_rad <=> HO + NH_p23", + index = 619, + label = "H2N-4 + O <=> HO-2 + HN-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -10805,8 +10717,8 @@ ) entry( - index = 626, - label = "OH_p23 + NH2_r12 <=> H2O + NH_p23", + index = 620, + label = "HO + H2N-4 <=> H2O + HN-3", degeneracy = 2.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(83.4834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -10818,8 +10730,8 @@ ) entry( - index = 627, - label = "NH2_r12 + NH2_r3 <=> NH3_p23 + NH_p1", + index = 621, + label = "H2N-4 + H2N-2 <=> H3N-2 + HN-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10833,8 +10745,8 @@ ) entry( - index = 628, - label = "NH2_r12 + CH3_r3 <=> CH4p + NH_p1", + index = 622, + label = "H2N-4 + CH3-2 <=> CH4-2 + HN-3", degeneracy = 2.0, kinetics = Arrhenius(A=(5.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(60.9734,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10848,8 +10760,8 @@ ) entry( - index = 629, - label = "NH2_r3 + CH3 <=> NH3_p23 + CH2_p1", + index = 623, + label = "H2N-2 + CH3-4 <=> H3N-2 + CH2-2", degeneracy = 3.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=1.87, Ea=(31.6729,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10863,8 +10775,8 @@ ) entry( - index = 630, - label = "HO + N <=> HN + O_rad", + index = 624, + label = "HO-4 + N <=> HN + O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(6.4e+12,'cm^3/(mol*s)'), n=0.1, Ea=(88.9518,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10878,8 +10790,8 @@ ) entry( - index = 631, - label = "HN + NH2_r3 <=> NH3_p23 + N", + index = 625, + label = "HN-4 + H2N-2 <=> H3N-2 + N-2", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(101.215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10893,8 +10805,8 @@ ) entry( - index = 632, - label = "OH + HN <=> H2O_p + N", + index = 626, + label = "HO + HN-4 <=> H2O + N-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-2.05016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10908,8 +10820,8 @@ ) entry( - index = 633, - label = "H + HN <=> H2_p + N", + index = 627, + label = "H + HN-4 <=> H2 + N-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.5e+13,'cm^3/(mol*s)'), n=0, Ea=(126.666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10923,8 +10835,8 @@ ) entry( - index = 634, - label = "HN + O_rad <=> HO + N", + index = 628, + label = "HN-4 + O <=> HO-2 + N-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(217.878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10938,8 +10850,8 @@ ) entry( - index = 635, - label = "HN + CH3_r3 <=> CH4p + N", + index = 629, + label = "HN-4 + CH3-2 <=> CH4-2 + N-2", degeneracy = 1.0, kinetics = Arrhenius(A=(820000,'cm^3/(mol*s)'), n=1.87, Ea=(188.129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10953,7 +10865,7 @@ ) entry( - index = 636, + index = 630, label = "H + H2N2 <=> H2 + HN2", degeneracy = 2.0, kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(6.61072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -10968,8 +10880,8 @@ ) entry( - index = 637, - label = "H2N2 + O_rad <=> HO + HN2", + index = 631, + label = "H2N2 + O <=> HO-2 + HN2", degeneracy = 2.0, kinetics = Arrhenius(A=(6.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(21.2673,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10983,8 +10895,8 @@ ) entry( - index = 638, - label = "OH + H2N2 <=> H2O_p + HN2", + index = 632, + label = "HO + H2N2 <=> H2O + HN2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -10998,8 +10910,8 @@ ) entry( - index = 639, - label = "NH2_r3 + H2N2 <=> NH3_p23 + HN2", + index = 633, + label = "H2N-2 + H2N2 <=> H3N-2 + HN2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11013,8 +10925,8 @@ ) entry( - index = 640, - label = "H2N2 + CH3_r3 <=> CH4p + HN2", + index = 634, + label = "H2N2 + CH3-2 <=> CH4-2 + HN2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11028,8 +10940,8 @@ ) entry( - index = 641, - label = "NH_r3 + H2N2 <=> NH2_r12 + HN2", + index = 635, + label = "HN-2 + H2N2 <=> H2N-3 + HN2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11043,53 +10955,8 @@ ) entry( - index = 642, - label = "OH + N2H3_r12 <=> H2O_p + H2NN(S)_p23", - degeneracy = 1.0, - kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), - rank = 2, - shortDesc = """Added by Beat Buesser""", - longDesc = -""" -Added by Beat Buesser, value for reaction: N2H3 + OH = H2NN + H2O (B&D #31d2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", - -Converted to training reaction from rate rule: N3s_rad_H/H/NonDeN;O_pri_rad -""", -) - -entry( - index = 643, - label = "N2H3_r12 + CH3_r3 <=> CH4p + H2NN(S)_p23", - degeneracy = 1.0, - kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), - rank = 2, - shortDesc = """Added by Beat Buesser""", - longDesc = -""" -Added by Beat Buesser, value for reaction: N2H3 + CH3 = H2NN + CH4 (B&D #31e2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", - -Converted to training reaction from rate rule: N3s_rad_H/H/NonDeN;C_methyl -""", -) - -entry( - index = 644, - label = "NH2_r3 + N2H3_r12 <=> NH3_p23 + H2NN(S)_p23", - degeneracy = 1.0, - kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), - rank = 2, - shortDesc = """Added by Beat Buesser""", - longDesc = -""" -Added by Beat Buesser, value for reaction: N2H3 + NH2 = H2NN + NH3 (B&D #31f2) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", - -Converted to training reaction from rate rule: N3s_rad_H/H/NonDeN;NH2_rad -""", -) - -entry( - index = 645, - label = "H + N2H4_r12 <=> H2_p + N2H3_r3", + index = 636, + label = "H + H4N2 <=> H2 + H3N2", degeneracy = 4.0, kinetics = Arrhenius(A=(3.84e+09,'cm^3/(mol*s)'), n=1.5, Ea=(20.2506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11103,8 +10970,8 @@ ) entry( - index = 646, - label = "N2H4_r12 + O_rad <=> HO + N2H3_r3", + index = 637, + label = "H4N2 + O <=> HO-2 + H3N2", degeneracy = 4.0, kinetics = Arrhenius(A=(2.68e+09,'cm^3/(mol*s)'), n=1.5, Ea=(40.0953,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11118,8 +10985,8 @@ ) entry( - index = 647, - label = "OH_p23 + N2H4_r12 <=> H2O + N2H3_r3", + index = 638, + label = "HO + H4N2 <=> H2O + H3N2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.92e+07,'cm^3/(mol*s)'), n=2, Ea=(-2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11133,8 +11000,8 @@ ) entry( - index = 648, - label = "CH3_p23 + N2H4_r12 <=> CH4b + N2H3_r3", + index = 639, + label = "CH3-2 + H4N2 <=> CH4-2 + H3N2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.32e+07,'cm^3/(mol*s)'), n=1.87, Ea=(22.3007,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11148,8 +11015,8 @@ ) entry( - index = 649, - label = "NH2_p23 + N2H4_r12 <=> NH3_r + N2H3_r3", + index = 640, + label = "H2N-2 + H4N2 <=> H3N-2 + H3N2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.48e+07,'cm^3/(mol*s)'), n=1.94, Ea=(6.81992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11163,8 +11030,8 @@ ) entry( - index = 650, - label = "OH_p23 + HNO_r <=> H2O + NO", + index = 641, + label = "HO + HNO-2 <=> H2O + NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.3e+07,'cm^3/(mol*s)'), n=1.88, Ea=(-3.9748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11178,8 +11045,8 @@ ) entry( - index = 651, - label = "H + HNO_r <=> H2 + NO", + index = 642, + label = "H + HNO-2 <=> H2 + NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.5e+11,'cm^3/(mol*s)'), n=0.72, Ea=(2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11193,8 +11060,8 @@ ) entry( - index = 652, - label = "HNO_r + O_rad <=> HO + NO", + index = 643, + label = "HNO-2 + O <=> HO-2 + NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.5e+11,'cm^3/(mol*s)'), n=0.72, Ea=(2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11208,8 +11075,8 @@ ) entry( - index = 653, - label = "HNO_r + NH2_r3 <=> NH3_p23 + NO_p", + index = 644, + label = "HNO-2 + H2N-2 <=> H3N-2 + NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11223,8 +11090,8 @@ ) entry( - index = 654, - label = "HNO_r + O2 <=> HO2_p23 + NO_p", + index = 645, + label = "HNO-2 + O2 <=> HO2-3 + NO-2", degeneracy = 2.0, kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(66.5256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11238,8 +11105,8 @@ ) entry( - index = 655, - label = "HNO_r + CH3_r3 <=> CH4p + NO_p", + index = 646, + label = "HNO-2 + CH3-2 <=> CH4-2 + NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(820000,'cm^3/(mol*s)'), n=1.87, Ea=(3.9748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11253,8 +11120,8 @@ ) entry( - index = 656, - label = "H + CH3NO <=> H2_p + CH2NO", + index = 647, + label = "H + CH3NO <=> H2 + CH2NO", degeneracy = 1.0, kinetics = Arrhenius(A=(2e+08,'cm^3/(mol*s)'), n=1.55, Ea=(27.6981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11268,8 +11135,8 @@ ) entry( - index = 657, - label = "CH3NO + O_rad <=> HO + CH2NO", + index = 648, + label = "CH3NO + O <=> HO-2 + CH2NO", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(103.596,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11283,8 +11150,8 @@ ) entry( - index = 658, - label = "OH + CH3NO <=> H2O_p + CH2NO", + index = 649, + label = "HO + CH3NO <=> H2O + CH2NO", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11298,8 +11165,8 @@ ) entry( - index = 659, - label = "CH3NO + CH3_r3 <=> CH4p + CH2NO", + index = 650, + label = "CH3NO + CH3-2 <=> CH4-2 + CH2NO", degeneracy = 1.0, kinetics = Arrhenius(A=(810000,'cm^3/(mol*s)'), n=1.87, Ea=(73.8476,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11313,8 +11180,8 @@ ) entry( - index = 660, - label = "NH2_r3 + CH3NO <=> NH3_p23 + CH2NO", + index = 651, + label = "H2N-2 + CH3NO <=> H3N-2 + CH2NO", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(8.03328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11328,8 +11195,8 @@ ) entry( - index = 661, - label = "OH + HCN_r <=> H2O_p + CN", + index = 652, + label = "HO + CHN <=> H2O + CN", degeneracy = 1.0, kinetics = Arrhenius(A=(3.9e+06,'cm^3/(mol*s)'), n=1.83, Ea=(83.9729,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11343,8 +11210,8 @@ ) entry( - index = 662, - label = "HCN_r + O_rad <=> HO + CN", + index = 653, + label = "CHN + O <=> HO-2 + CN", degeneracy = 1.0, kinetics = Arrhenius(A=(4.2e+10,'cm^3/(mol*s)'), n=1.83, Ea=(91.2112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11358,8 +11225,8 @@ ) entry( - index = 663, - label = "H2 + CN <=> HCN_r + H", + index = 654, + label = "H2-2 + CN-2 <=> CHN-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(7.2e+08,'cm^3/(mol*s)'), n=1.55, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11373,8 +11240,8 @@ ) entry( - index = 664, - label = "H2O + CN <=> HCN_r + OH_p23", + index = 655, + label = "H2O-2 + CN-2 <=> CHN-2 + HO-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1.56e+13,'cm^3/(mol*s)'), n=0, Ea=(31.1708,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11388,8 +11255,8 @@ ) entry( - index = 665, - label = "CH4b + CN <=> HCN_r + CH3_p23", + index = 656, + label = "CH4 + CN-2 <=> CHN-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(480000,'cm^3/(mol*s)'), n=2.64, Ea=(-0.66944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11403,8 +11270,8 @@ ) entry( - index = 666, - label = "NH3_r + CN <=> HCN_r + NH2_p23", + index = 657, + label = "H3N + CN-2 <=> CHN-2 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(2.76e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.50624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11418,7 +11285,7 @@ ) entry( - index = 667, + index = 658, label = "H + CH3N <=> H2 + CH2N", degeneracy = 1.0, kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(30.6269,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -11433,8 +11300,8 @@ ) entry( - index = 668, - label = "CH3N + O_rad <=> HO + CH2N", + index = 659, + label = "CH3N + O <=> HO-2 + CH2N", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(85.9519,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11448,8 +11315,8 @@ ) entry( - index = 669, - label = "OH_p23 + CH3N <=> H2O + CH2N", + index = 660, + label = "HO + CH3N <=> H2O + CH2N", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-0.37656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11463,8 +11330,8 @@ ) entry( - index = 670, - label = "CH3N + CH3_r3 <=> CH4p + CH2N", + index = 661, + label = "CH3N + CH3-2 <=> CH4-2 + CH2N", degeneracy = 1.0, kinetics = Arrhenius(A=(820000,'cm^3/(mol*s)'), n=1.87, Ea=(56.2037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11478,8 +11345,8 @@ ) entry( - index = 671, - label = "NH2_r3 + CH3N <=> NH3_p23 + CH2N", + index = 662, + label = "H2N-2 + CH3N <=> H3N-2 + CH2N", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(18.577,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11493,8 +11360,8 @@ ) entry( - index = 672, - label = "H + CH3N-2 <=> H2_p + CH2N-2", + index = 663, + label = "H + CH3N-2 <=> H2 + CH2N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(25.6479,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11508,8 +11375,8 @@ ) entry( - index = 673, - label = "CH3N-2 + O_rad <=> HO + CH2N-2", + index = 664, + label = "CH3N-2 + O <=> HO-2 + CH2N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(108.617,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11523,8 +11390,8 @@ ) entry( - index = 674, - label = "OH + CH3N-2 <=> H2O_p + CH2N-2", + index = 665, + label = "HO + CH3N-2 <=> H2O + CH2N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(101.378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11538,8 +11405,8 @@ ) entry( - index = 675, - label = "CH3N-2 + CH3_r3 <=> CH4p + CH2N-2", + index = 666, + label = "CH3N-2 + CH3-2 <=> CH4-2 + CH2N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.06e+06,'cm^3/(mol*s)'), n=1.87, Ea=(78.8684,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11553,8 +11420,8 @@ ) entry( - index = 676, - label = "NH2_r3 + CH3N-2 <=> NH3_p23 + CH2N-2", + index = 667, + label = "H2N-2 + CH3N-2 <=> H3N-2 + CH2N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(25.4806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11568,8 +11435,8 @@ ) entry( - index = 677, - label = "H + CH5N <=> H2_p + CH4N", + index = 668, + label = "H + CH5N <=> H2 + CH4N", degeneracy = 3.0, kinetics = Arrhenius(A=(1.68e+09,'cm^3/(mol*s)'), n=1.5, Ea=(22.8446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11583,8 +11450,8 @@ ) entry( - index = 678, - label = "CH5N + O_rad <=> HO + CH4N", + index = 669, + label = "CH5N + O <=> HO-2 + CH4N", degeneracy = 3.0, kinetics = Arrhenius(A=(1.2e+09,'cm^3/(mol*s)'), n=1.5, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11598,8 +11465,8 @@ ) entry( - index = 679, - label = "OH + CH5N <=> H2O_p + CH4N", + index = 670, + label = "HO + CH5N <=> H2O + CH4N", degeneracy = 3.0, kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)'), n=2, Ea=(2.05016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11613,8 +11480,8 @@ ) entry( - index = 680, - label = "CH3_r3 + CH5N <=> CH4p + CH4N", + index = 671, + label = "CH3-2 + CH5N <=> CH4-2 + CH4N", degeneracy = 3.0, kinetics = Arrhenius(A=(4.5e+06,'cm^3/(mol*s)'), n=1.87, Ea=(38.3673,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11628,8 +11495,8 @@ ) entry( - index = 681, - label = "NH2_r3 + CH5N <=> NH3_p23 + CH4N", + index = 672, + label = "H2N-2 + CH5N <=> H3N-2 + CH4N", degeneracy = 3.0, kinetics = Arrhenius(A=(8.4e+06,'cm^3/(mol*s)'), n=1.94, Ea=(22.9702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11643,8 +11510,8 @@ ) entry( - index = 682, - label = "H + CH5N-2 <=> H2_p + CH4N-2", + index = 673, + label = "H + CH5N-2 <=> H2 + CH4N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(40.6266,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11658,8 +11525,8 @@ ) entry( - index = 683, - label = "CH5N-2 + O_rad <=> HO + CH4N-2", + index = 674, + label = "CH5N-2 + O <=> HO-2 + CH4N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(6.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(85.157,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11673,8 +11540,8 @@ ) entry( - index = 684, - label = "OH + CH5N-2 <=> H2O_p + CH4N-2", + index = 675, + label = "HO + CH5N-2 <=> H2O + CH4N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(77.9186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11688,8 +11555,8 @@ ) entry( - index = 685, - label = "CH3_r3 + CH5N-2 <=> CH4p + CH4N-2", + index = 676, + label = "CH3-2 + CH5N-2 <=> CH4-2 + CH4N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(55.4087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11703,8 +11570,8 @@ ) entry( - index = 686, - label = "NH2_r3 + CH5N-2 <=> NH3_p23 + CH4N-2", + index = 677, + label = "H2N-2 + CH5N-2 <=> H3N-2 + CH4N-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(29.8738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11718,8 +11585,8 @@ ) entry( - index = 687, - label = "H2 + CNO <=> HNCO + H", + index = 678, + label = "H2-2 + CNO-2 <=> CHNO-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1520,'cm^3/(mol*s)'), n=3, Ea=(16.6105,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11733,8 +11600,8 @@ ) entry( - index = 688, - label = "CH4b + CNO <=> HNCO + CH3_p23", + index = 679, + label = "CH4 + CNO-2 <=> CHNO-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(3.92e+13,'cm^3/(mol*s)'), n=0, Ea=(34.0159,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11748,8 +11615,8 @@ ) entry( - index = 689, - label = "NH3_r + CNO <=> HNCO + NH2_p23", + index = 680, + label = "H3N + CNO-2 <=> CHNO-2 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(84000,'cm^3/(mol*s)'), n=2.48, Ea=(30.7106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11763,8 +11630,8 @@ ) entry( - index = 690, - label = "H + C2H4O-2 <=> H2 + C2H3O-3", + index = 681, + label = "H + C2H4O-6 <=> H2 + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(27.6981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11778,8 +11645,8 @@ ) entry( - index = 691, - label = "C2H4O-2 + O_rad <=> HO + C2H3O-3", + index = 682, + label = "C2H4O-6 + O <=> HO-2 + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(17.2799,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11793,8 +11660,8 @@ ) entry( - index = 692, - label = "OH + C2H4O-2 <=> H2O_p + C2H3O-3", + index = 683, + label = "HO + C2H4O-6 <=> H2O + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-1.046,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11808,8 +11675,8 @@ ) entry( - index = 693, - label = "C2H4O-2 + CH3_r3 <=> CH4p + C2H3O-3", + index = 684, + label = "C2H4O-6 + CH3-2 <=> CH4-2 + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(820000,'cm^3/(mol*s)'), n=1.87, Ea=(27.6981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11823,8 +11690,8 @@ ) entry( - index = 694, - label = "NH2_r3 + C2H4O-2 <=> NH3_p23 + C2H3O-3", + index = 685, + label = "H2N-2 + C2H4O-6 <=> H3N-2 + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11838,8 +11705,8 @@ ) entry( - index = 695, - label = "OH + HNCO <=> H2O_p + CNO", + index = 686, + label = "HO + CHNO <=> H2O + CNO", degeneracy = 1.0, kinetics = Arrhenius(A=(5.2e+10,'cm^3/(mol*s)'), n=-0.03, Ea=(78.7136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11853,8 +11720,8 @@ ) entry( - index = 696, - label = "H + HNCO <=> H2 + CNO", + index = 687, + label = "H + CHNO <=> H2 + CNO", degeneracy = 1.0, kinetics = Arrhenius(A=(180000,'cm^3/(mol*s)'), n=2.4, Ea=(41.5053,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11868,8 +11735,8 @@ ) entry( - index = 697, - label = "HNCO + O_rad <=> HO + CNO", + index = 688, + label = "CHNO + O <=> HO-2 + CNO", degeneracy = 1.0, kinetics = Arrhenius(A=(3.1e+06,'cm^3/(mol*s)'), n=1.94, Ea=(85.9519,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11883,8 +11750,8 @@ ) entry( - index = 698, - label = "HNCO + CH3_r3 <=> CH4p + CNO", + index = 689, + label = "CHNO + CH3-2 <=> CH4-2 + CNO", degeneracy = 1.0, kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(56.2037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11898,8 +11765,8 @@ ) entry( - index = 699, - label = "NH2_r3 + HNCO <=> NH3_p23 + CNO", + index = 690, + label = "H2N-2 + CHNO <=> H3N-2 + CNO", degeneracy = 1.0, kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(37.405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11913,8 +11780,8 @@ ) entry( - index = 700, - label = "C2H4N + O_rad <=> HO + C2H3N", + index = 691, + label = "C2H4N-3 + O <=> HO-2 + C2H3N", degeneracy = 4.0, kinetics = Arrhenius(A=(1.32e+09,'cm^3/(mol*s)'), n=1.5, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11928,8 +11795,8 @@ ) entry( - index = 701, - label = "H + C2H5N <=> H2 + C2H4N-2", + index = 692, + label = "H + C2H5N-3 <=> H2 + C2H4N-4", degeneracy = 3.0, kinetics = Arrhenius(A=(1.32e+09,'cm^3/(mol*s)'), n=1.5, Ea=(1.58992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11943,8 +11810,8 @@ ) entry( - index = 702, - label = "C2H5N + O_rad <=> HO + C2H4N-2", + index = 693, + label = "C2H5N-3 + O <=> HO-2 + C2H4N-4", degeneracy = 3.0, kinetics = Arrhenius(A=(9.9e+08,'cm^3/(mol*s)'), n=1.5, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11958,8 +11825,8 @@ ) entry( - index = 703, - label = "OH + C2H5N <=> H2O_p + C2H4N-2", + index = 694, + label = "HO + C2H5N-3 <=> H2O + C2H4N-4", degeneracy = 3.0, kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)'), n=2, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11973,8 +11840,8 @@ ) entry( - index = 704, - label = "CH3_r3 + C2H5N <=> CH4p + C2H4N-2", + index = 695, + label = "CH3-2 + C2H5N-3 <=> CH4-2 + C2H4N-4", degeneracy = 3.0, kinetics = Arrhenius(A=(2.37e+06,'cm^3/(mol*s)'), n=1.87, Ea=(22.6354,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -11988,8 +11855,8 @@ ) entry( - index = 705, - label = "NH2_p23 + C2H5N <=> NH3_r + C2H4N-2", + index = 696, + label = "H2N-2 + C2H5N-3 <=> H3N-2 + C2H4N-4", degeneracy = 3.0, kinetics = Arrhenius(A=(8.4e+06,'cm^3/(mol*s)'), n=1.94, Ea=(4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12003,7 +11870,7 @@ ) entry( - index = 706, + index = 697, label = "H + H3NO <=> H2 + H2NO", degeneracy = 2.0, kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(26.15,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12018,8 +11885,8 @@ ) entry( - index = 707, - label = "H3NO + O_rad <=> HO + H2NO", + index = 698, + label = "H3NO + O <=> HO-2 + H2NO", degeneracy = 2.0, kinetics = Arrhenius(A=(6.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(51.5594,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12033,8 +11900,8 @@ ) entry( - index = 708, - label = "OH_p23 + H3NO <=> H2O + H2NO", + index = 699, + label = "HO + H3NO <=> H2O + H2NO", degeneracy = 2.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-1.38072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12048,8 +11915,8 @@ ) entry( - index = 709, - label = "H3NO + CH3_r3 <=> CH4b + H2NO", + index = 700, + label = "H3NO + CH3-2 <=> CH4-2 + H2NO", degeneracy = 2.0, kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(26.5684,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12063,8 +11930,8 @@ ) entry( - index = 710, - label = "NH2_p23 + H3NO <=> NH3_r + H2NO", + index = 701, + label = "H2N-2 + H3NO <=> H3N-2 + H2NO", degeneracy = 2.0, kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12078,8 +11945,8 @@ ) entry( - index = 711, - label = "HO2_r3 + H3NO <=> H2O2 + H2NO", + index = 702, + label = "HO2-2 + H3NO <=> H2O2-2 + H2NO", degeneracy = 2.0, kinetics = Arrhenius(A=(58000,'cm^3/(mol*s)'), n=2.69, Ea=(39.999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12093,7 +11960,7 @@ ) entry( - index = 712, + index = 703, label = "H + H3NO-2 <=> H2 + H2NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(21.2129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12108,8 +11975,8 @@ ) entry( - index = 713, - label = "H3NO-2 + O_rad <=> HO + H2NO-2", + index = 704, + label = "H3NO-2 + O <=> HO-2 + H2NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(103.596,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12123,8 +11990,8 @@ ) entry( - index = 714, - label = "OH_p23 + H3NO-2 <=> H2O + H2NO-2", + index = 705, + label = "HO + H3NO-2 <=> H2O + H2NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12138,8 +12005,8 @@ ) entry( - index = 715, - label = "H3NO-2 + CH3_r3 <=> CH4b + H2NO-2", + index = 706, + label = "H3NO-2 + CH3-2 <=> CH4-2 + H2NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(820000,'cm^3/(mol*s)'), n=1.87, Ea=(73.8476,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12153,8 +12020,8 @@ ) entry( - index = 716, - label = "NH2_p23 + H3NO-2 <=> NH3_r + H2NO-2", + index = 707, + label = "H2N-2 + H3NO-2 <=> H3N-2 + H2NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(7.90776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12168,8 +12035,8 @@ ) entry( - index = 717, - label = "HO2_r3 + H3NO-2 <=> H2O2 + H2NO-2", + index = 708, + label = "HO2-2 + H3NO-2 <=> H2O2-2 + H2NO-2", degeneracy = 1.0, kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.69, Ea=(65.3541,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12183,7 +12050,7 @@ ) entry( - index = 718, + index = 709, label = "H + CH4N2 <=> H2 + CH3N2", degeneracy = 2.0, kinetics = Arrhenius(A=(9.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(31.0034,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12198,8 +12065,8 @@ ) entry( - index = 719, - label = "CH4N2 + O_rad <=> HO + CH3N2", + index = 710, + label = "CH4N2 + O <=> HO-2 + CH3N2", degeneracy = 2.0, kinetics = Arrhenius(A=(6.6e+08,'cm^3/(mol*s)'), n=1.5, Ea=(40.0953,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12213,8 +12080,8 @@ ) entry( - index = 720, - label = "OH_p23 + CH4N2 <=> H2O + CH3N2", + index = 711, + label = "HO + CH4N2 <=> H2O + CH3N2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.8e+06,'cm^3/(mol*s)'), n=2, Ea=(-0.29288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12228,8 +12095,8 @@ ) entry( - index = 721, - label = "CH3_r3 + CH4N2 <=> CH4b + CH3N2", + index = 712, + label = "CH3-2 + CH4N2 <=> CH4-2 + CH3N2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.2e+06,'cm^3/(mol*s)'), n=1.87, Ea=(30.0411,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12243,8 +12110,8 @@ ) entry( - index = 722, - label = "NH2_p23 + CH4N2 <=> NH3_r + CH3N2", + index = 713, + label = "H2N-2 + CH4N2 <=> H3N-2 + CH3N2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.6e+06,'cm^3/(mol*s)'), n=1.94, Ea=(18.9954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12258,8 +12125,8 @@ ) entry( - index = 723, - label = "HO2_r3 + CH4N2 <=> H2O2 + CH3N2", + index = 714, + label = "HO2-2 + CH4N2 <=> H2O2-2 + CH3N2", degeneracy = 2.0, kinetics = Arrhenius(A=(58000,'cm^3/(mol*s)'), n=2.69, Ea=(52.8439,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12273,8 +12140,8 @@ ) entry( - index = 724, - label = "HO2_r3 + N2H4_r12 <=> H2O2 + N2H3_r3", + index = 715, + label = "HO2-2 + H4N2 <=> H2O2-2 + H3N2", degeneracy = 4.0, kinetics = Arrhenius(A=(116000,'cm^3/(mol*s)'), n=2.69, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 2, @@ -12288,8 +12155,8 @@ ) entry( - index = 725, - label = "OH_p23 + C7H12 <=> H2O + C7H11", + index = 716, + label = "HO + C7H12 <=> H2O + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(688800,'cm^3/(mol*s)'), n=2.38, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12301,8 +12168,8 @@ ) entry( - index = 726, - label = "OH_p23 + C7H12-2 <=> H2O + C7H11-2", + index = 717, + label = "HO + C7H12-2 <=> H2O + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(556000,'cm^3/(mol*s)'), n=2.38, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12314,8 +12181,8 @@ ) entry( - index = 727, - label = "OH_p23 + C7H12-3 <=> H2O + C7H11-3", + index = 718, + label = "HO + C7H12-3 <=> H2O + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(168800,'cm^3/(mol*s)'), n=2.38, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12327,8 +12194,8 @@ ) entry( - index = 728, - label = "OH_p23 + C8H14 <=> H2O + C8H13", + index = 719, + label = "HO + C8H14 <=> H2O + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(113400,'cm^3/(mol*s)'), n=2.38, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12340,8 +12207,8 @@ ) entry( - index = 729, - label = "OH_p23 + C9H16 <=> H2O + C9H15", + index = 720, + label = "HO + C9H16 <=> H2O + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(275200,'cm^3/(mol*s)'), n=2.38, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12353,8 +12220,8 @@ ) entry( - index = 730, - label = "OH_p23 + C9H16-2 <=> H2O + C9H15-2", + index = 721, + label = "HO + C9H16-2 <=> H2O + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(302000,'cm^3/(mol*s)'), n=2.38, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12366,7 +12233,7 @@ ) entry( - index = 731, + index = 722, label = "H + C7H12 <=> H2 + C7H11", degeneracy = 8.0, kinetics = Arrhenius(A=(22960,'cm^3/(mol*s)'), n=3.02, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -12379,7 +12246,7 @@ ) entry( - index = 732, + index = 723, label = "H + C7H12-2 <=> H2 + C7H11-2", degeneracy = 2.0, kinetics = Arrhenius(A=(9040,'cm^3/(mol*s)'), n=3.02, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -12392,7 +12259,7 @@ ) entry( - index = 733, + index = 724, label = "H + C7H12-3 <=> H2 + C7H11-3", degeneracy = 2.0, kinetics = Arrhenius(A=(6360,'cm^3/(mol*s)'), n=3.02, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -12405,7 +12272,7 @@ ) entry( - index = 734, + index = 725, label = "H + C8H14 <=> H2 + C8H13", degeneracy = 2.0, kinetics = Arrhenius(A=(7680,'cm^3/(mol*s)'), n=3.02, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -12418,7 +12285,7 @@ ) entry( - index = 735, + index = 726, label = "H + C9H16 <=> H2 + C9H15", degeneracy = 4.0, kinetics = Arrhenius(A=(8880,'cm^3/(mol*s)'), n=3.02, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -12431,7 +12298,7 @@ ) entry( - index = 736, + index = 727, label = "H + C9H16-2 <=> H2 + C9H15-2", degeneracy = 2.0, kinetics = Arrhenius(A=(8040,'cm^3/(mol*s)'), n=3.02, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -12444,8 +12311,8 @@ ) entry( - index = 737, - label = "C3H6 + C7H11 <=> C7H12 + C3H5", + index = 728, + label = "C3H6 + C7H11-4 <=> C7H12-4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002442,'cm^3/(mol*s)'), n=4.24, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12457,8 +12324,8 @@ ) entry( - index = 738, - label = "C3H6 + C8H13 <=> C8H14 + C3H5", + index = 729, + label = "C3H6 + C8H13-2 <=> C8H14-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001323,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12470,8 +12337,8 @@ ) entry( - index = 739, - label = "C3H6 + C9H15 <=> C9H16 + C3H5", + index = 730, + label = "C3H6 + C9H15-3 <=> C9H16-3 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000948,'cm^3/(mol*s)'), n=4.24, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12483,8 +12350,8 @@ ) entry( - index = 740, - label = "C3H6 + C9H15-2 <=> C9H16-2 + C3H5", + index = 731, + label = "C3H6 + C9H15-4 <=> C9H16-4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002901,'cm^3/(mol*s)'), n=4.24, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12496,8 +12363,8 @@ ) entry( - index = 741, - label = "C3H6 + C7H11-3 <=> C7H12-3 + C3H5", + index = 732, + label = "C3H6 + C7H11-5 <=> C7H12-5 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001323,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12509,8 +12376,8 @@ ) entry( - index = 742, - label = "C3H6 + C7H11-2 <=> C7H12-2 + C3H5", + index = 733, + label = "C3H6 + C7H11-6 <=> C7H12-6 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001323,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12522,8 +12389,8 @@ ) entry( - index = 743, - label = "C5H8-2 + C7H11 <=> C7H12 + C5H7-2", + index = 734, + label = "C5H8-4 + C7H11-4 <=> C7H12-4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001628,'cm^3/(mol*s)'), n=4.24, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12535,8 +12402,8 @@ ) entry( - index = 744, - label = "C5H8-2 + C8H13 <=> C8H14 + C5H7-2", + index = 735, + label = "C5H8-4 + C8H13-2 <=> C8H14-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000882,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12548,8 +12415,8 @@ ) entry( - index = 745, - label = "C5H8-2 + C9H15 <=> C9H16 + C5H7-2", + index = 736, + label = "C5H8-4 + C9H15-3 <=> C9H16-3 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000632,'cm^3/(mol*s)'), n=4.24, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12561,8 +12428,8 @@ ) entry( - index = 746, - label = "C5H8-2 + C9H15-2 <=> C9H16-2 + C5H7-2", + index = 737, + label = "C5H8-4 + C9H15-4 <=> C9H16-4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001934,'cm^3/(mol*s)'), n=4.24, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12574,8 +12441,8 @@ ) entry( - index = 747, - label = "C5H8-2 + C7H11-2 <=> C7H12-2 + C5H7-2", + index = 738, + label = "C5H8-4 + C7H11-6 <=> C7H12-6 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000882,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12587,8 +12454,8 @@ ) entry( - index = 748, - label = "C5H8-2 + C7H11-3 <=> C7H12-3 + C5H7-2", + index = 739, + label = "C5H8-4 + C7H11-5 <=> C7H12-5 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000882,'cm^3/(mol*s)'), n=4.24, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -12600,7 +12467,7 @@ ) entry( - index = 749, + index = 740, label = "H + C3H8O-2 <=> H2 + C3H7O-2", degeneracy = 6.0, kinetics = Arrhenius(A=(1.134e+07,'cm^3/(mol*s)'), n=2.21, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12613,7 +12480,7 @@ ) entry( - index = 750, + index = 741, label = "H + C3H8O-3 <=> H2 + C3H7O-3", degeneracy = 1.0, kinetics = Arrhenius(A=(414000,'cm^3/(mol*s)'), n=2.34, Ea=(11.2131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12626,8 +12493,8 @@ ) entry( - index = 751, - label = "C3H8O-2 + CH3_r3 <=> CH4b + C3H7O-2", + index = 742, + label = "C3H8O-2 + CH3-2 <=> CH4-2 + C3H7O-2", degeneracy = 6.0, kinetics = Arrhenius(A=(2.838,'cm^3/(mol*s)'), n=3.6, Ea=(46.2332,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12639,8 +12506,8 @@ ) entry( - index = 752, - label = "C3H8O-3 + CH3_r3 <=> CH4b + C3H7O-3", + index = 743, + label = "C3H8O-3 + CH3-2 <=> CH4-2 + C3H7O-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.389,'cm^3/(mol*s)'), n=3.53, Ea=(16.7778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12652,8 +12519,8 @@ ) entry( - index = 753, - label = "H + C4H8-4 <=> H2 + C4H7-4", + index = 744, + label = "H + C4H8-5 <=> H2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(45000,'cm^3/(mol*s)'), n=2.67, Ea=(14.5603,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12665,8 +12532,8 @@ ) entry( - index = 754, - label = "CH3_r3 + C4H8-4 <=> CH4b + C4H7-4", + index = 745, + label = "CH3-2 + C4H8-5 <=> CH4-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.204,'cm^3/(mol*s)'), n=3.99, Ea=(26.2337,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12678,7 +12545,7 @@ ) entry( - index = 755, + index = 746, label = "H + C3H6 <=> H2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(3360,'cm^3/(mol*s)'), n=3.14, Ea=(17.9494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12691,8 +12558,8 @@ ) entry( - index = 756, - label = "H + C4H8-2 <=> H2 + C4H7-2", + index = 747, + label = "H + C4H8-3 <=> H2 + C4H7-3", degeneracy = 6.0, kinetics = Arrhenius(A=(6720,'cm^3/(mol*s)'), n=3.14, Ea=(17.9494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12704,8 +12571,8 @@ ) entry( - index = 757, - label = "CH3_r3 + C3H6 <=> CH4b + C3H5", + index = 748, + label = "CH3-2 + C3H6 <=> CH4-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.072,'cm^3/(mol*s)'), n=4.25, Ea=(31.5055,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12717,8 +12584,8 @@ ) entry( - index = 758, - label = "CH3_r3 + C4H8-2 <=> CH4b + C4H7-2", + index = 749, + label = "CH3-2 + C4H8-3 <=> CH4-2 + C4H7-3", degeneracy = 6.0, kinetics = Arrhenius(A=(0.144,'cm^3/(mol*s)'), n=4.25, Ea=(31.5055,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12730,8 +12597,8 @@ ) entry( - index = 759, - label = "H + C4H8 <=> H2 + C4H7", + index = 750, + label = "H + C4H8-2 <=> H2 + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(5028,'cm^3/(mol*s)'), n=3.18, Ea=(18.2841,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12743,8 +12610,8 @@ ) entry( - index = 760, - label = "CH3_r3 + C4H8 <=> CH4b + C4H7", + index = 751, + label = "CH3-2 + C4H8-2 <=> CH4-2 + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1188,'cm^3/(mol*s)'), n=4.26, Ea=(31.5892,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12756,8 +12623,8 @@ ) entry( - index = 761, - label = "C3H6-2 + C2H5 <=> C2H6 + C3H5-2", + index = 752, + label = "C3H6-6 + C2H5-2 <=> C2H6-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00128,'cm^3/(mol*s)'), n=4.34, Ea=(70.5004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -12769,8 +12636,8 @@ ) entry( - index = 762, - label = "C3H6-2 + C3H7 <=> C3H8 + C3H5-2", + index = 753, + label = "C3H6-6 + C3H7-2 <=> C3H8-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00148,'cm^3/(mol*s)'), n=4.34, Ea=(59.5383,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -12782,8 +12649,8 @@ ) entry( - index = 763, - label = "C3H6-2 + C4H9-4 <=> iC4H10b + C3H5-2", + index = 754, + label = "C3H6-6 + C4H9-5 <=> C4H10-5 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00148,'cm^3/(mol*s)'), n=4.34, Ea=(55.0196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -12795,8 +12662,8 @@ ) entry( - index = 764, - label = "OH_p23 + C2H6O <=> H2O + C2H5O", + index = 755, + label = "HO + C2H6O <=> H2O + C2H5O", degeneracy = 2.0, kinetics = Arrhenius(A=(4.32e+06,'cm^3/(mol*s)'), n=2.002, Ea=(-0.472792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12808,8 +12675,8 @@ ) entry( - index = 765, - label = "OH_p23 + C4H10O-10 <=> H2O + C4H9O-10", + index = 756, + label = "HO + C4H10O-15 <=> H2O + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(34760,'cm^3/(mol*s)'), n=2.458, Ea=(-0.64852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12821,7 +12688,7 @@ ) entry( - index = 766, + index = 757, label = "H + CH4O-2 <=> H2 + CH3O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.293,'cm^3/(mol*s)'), n=4.14, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12834,7 +12701,7 @@ ) entry( - index = 767, + index = 758, label = "H + C2H6O <=> H2 + C2H5O", degeneracy = 2.0, kinetics = Arrhenius(A=(5220,'cm^3/(mol*s)'), n=3.04, Ea=(10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12847,8 +12714,8 @@ ) entry( - index = 768, - label = "H + C4H10O-10 <=> H2 + C4H9O-10", + index = 759, + label = "H + C4H10O-15 <=> H2 + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(5760,'cm^3/(mol*s)'), n=3.02, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12860,7 +12727,7 @@ ) entry( - index = 769, + index = 760, label = "H + C2H6 <=> H2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(6180,'cm^3/(mol*s)'), n=3.24, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12873,8 +12740,8 @@ ) entry( - index = 770, - label = "CH3_r3 + C2H6 <=> CH4b + C2H5", + index = 761, + label = "CH3-2 + C2H6 <=> CH4-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(4.488e-05,'cm^3/(mol*s)'), n=4.99, Ea=(33.472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12886,8 +12753,8 @@ ) entry( - index = 771, - label = "C4H10O-10 + CH3_r3 <=> CH4b + C4H9O-10", + index = 762, + label = "C4H10O-15 + CH3-2 <=> CH4-2 + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0146,'cm^3/(mol*s)'), n=4.47, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12899,8 +12766,8 @@ ) entry( - index = 772, - label = "C5H12O + CH3_r3 <=> CH4b + C5H11O", + index = 763, + label = "C5H12O + CH3-2 <=> CH4-2 + C5H11O", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0719,'cm^3/(mol*s)'), n=3.96, Ea=(32.175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12914,8 +12781,8 @@ ) entry( - index = 773, - label = "C2H6O + CH3_r3 <=> CH4b + C2H5O", + index = 764, + label = "C2H6O + CH3-2 <=> CH4-2 + C2H5O", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00248,'cm^3/(mol*s)'), n=4.44, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, @@ -12927,7 +12794,7 @@ ) entry( - index = 774, + index = 765, label = "C2H3 + C2H6 <=> C2H4 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00108,'cm^3/(mol*s)'), n=4.55, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12940,7 +12807,7 @@ ) entry( - index = 775, + index = 766, label = "C2H3 + C2H6O <=> C2H4 + C2H5O", degeneracy = 2.0, kinetics = Arrhenius(A=(0.052,'cm^3/(mol*s)'), n=3.9, Ea=(3.59824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), @@ -12953,8 +12820,8 @@ ) entry( - index = 776, - label = "C4H10O-10 + O_rad <=> HO + C4H9O-10", + index = 767, + label = "C4H10O-15 + O <=> HO-2 + C4H9O-15", degeneracy = 1.0, kinetics = Arrhenius(A=(78000,'cm^3/(mol*s)'), n=2.5, Ea=(27.5672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -12966,8 +12833,8 @@ ) entry( - index = 777, - label = "C4H10O-11 + O_rad <=> HO + C4H9O-11", + index = 768, + label = "C4H10O-11 + O <=> HO-2 + C4H9O-11", degeneracy = 2.0, kinetics = Arrhenius(A=(145000,'cm^3/(mol*s)'), n=2.47, Ea=(30.9286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -12979,8 +12846,8 @@ ) entry( - index = 778, - label = "H2O2 + C2H5 <=> C2H6 + HO2_r3", + index = 769, + label = "H2O2 + C2H5-2 <=> C2H6-2 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(3,'cm^3/(mol*s)'), n=3.28, Ea=(4.3932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -12992,8 +12859,8 @@ ) entry( - index = 779, - label = "H2O2 + C4H9O-10 <=> C4H10O-10 + HO2_r3", + index = 770, + label = "H2O2 + C4H9O-10 <=> C4H10O-10 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.91,'cm^3/(mol*s)'), n=3.31, Ea=(10.6746,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -13005,8 +12872,8 @@ ) entry( - index = 780, - label = "H2O2 + C2H5O <=> C2H6O + HO2_r3", + index = 771, + label = "H2O2 + C2H5O-5 <=> C2H6O-5 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(57,'cm^3/(mol*s)'), n=3.04, Ea=(7.3132,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -13018,8 +12885,8 @@ ) entry( - index = 781, - label = "C3H8O-4 + O_rad <=> HO + C3H7O-4", + index = 772, + label = "C3H8O-4 + O <=> HO-2 + C3H7O-4", degeneracy = 2.0, kinetics = Arrhenius(A=(169,'cm^3/(mol*s)'), n=3.43, Ea=(62.3897,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -13030,8 +12897,8 @@ ) entry( - index = 782, - label = "OH_p23 + C3H8O-4 <=> H2O + C3H7O-4", + index = 773, + label = "HO + C3H8O-4 <=> H2O + C3H7O-4", degeneracy = 2.0, kinetics = Arrhenius(A=(28.7,'cm^3/(mol*s)'), n=3.42, Ea=(-5.25092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -13046,8 +12913,8 @@ ) entry( - index = 783, - label = "OH_p23 + C4H10O-2 <=> H2O + C4H9O-2", + index = 774, + label = "HO + C4H10O-18 <=> H2O + C4H9O-18", degeneracy = 2.0, kinetics = Arrhenius(A=(26,'cm^3/(mol*s)'), n=3.44, Ea=(-10.2173,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -13062,8 +12929,8 @@ ) entry( - index = 784, - label = "C4H10O-2 + O_rad <=> HO + C4H9O-2", + index = 775, + label = "C4H10O-18 + O <=> HO-2 + C4H9O-18", degeneracy = 2.0, kinetics = Arrhenius(A=(169,'cm^3/(mol*s)'), n=3.43, Ea=(57.4045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -13074,8 +12941,8 @@ ) entry( - index = 785, - label = "H2 + CH3_r3 <=> CH4b + H", + index = 776, + label = "H2-2 + CH3-2 <=> CH4-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0224,'cm^3/(mol*s)'), n=4.34, Ea=(61.463,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13087,8 +12954,8 @@ ) entry( - index = 786, - label = "H2 + C2H5 <=> C2H6 + H", + index = 777, + label = "H2-2 + C2H5-2 <=> C2H6-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00384,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13100,8 +12967,8 @@ ) entry( - index = 787, - label = "H2 + C3H7 <=> C3H8 + H", + index = 778, + label = "H2-2 + C3H7-2 <=> C3H8-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00542,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13113,8 +12980,8 @@ ) entry( - index = 788, - label = "H2 + C4H9-4 <=> iC4H10b + H", + index = 779, + label = "H2-2 + C4H9-5 <=> C4H10-5 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00664,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13126,8 +12993,8 @@ ) entry( - index = 789, - label = "H2 + C3H5 <=> C3H6 + H", + index = 780, + label = "H2-2 + C3H5-3 <=> C3H6-3 + H-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1212,'cm^3/(mol*s)'), n=4.34, Ea=(98.7424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13139,8 +13006,8 @@ ) entry( - index = 790, - label = "H2 + C4H7-4 <=> C4H8-4 + H", + index = 781, + label = "H2-2 + C4H7-10 <=> C4H8-10 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0458,'cm^3/(mol*s)'), n=4.34, Ea=(92.8848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13152,8 +13019,8 @@ ) entry( - index = 791, - label = "H2 + C5H9-5 <=> C5H10-3 + H", + index = 782, + label = "H2-2 + C5H9-6 <=> C5H10-6 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0087,'cm^3/(mol*s)'), n=4.34, Ea=(94.9768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13165,8 +13032,8 @@ ) entry( - index = 792, - label = "H2 + C5H7-2 <=> C5H8-2 + H", + index = 783, + label = "H2-2 + C5H7-2 <=> C5H8-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1828,'cm^3/(mol*s)'), n=4.34, Ea=(127.612,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13178,8 +13045,8 @@ ) entry( - index = 793, - label = "H2 + C6H9 <=> C6H10 + H", + index = 784, + label = "H2-2 + C6H9 <=> C6H10 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01,'cm^3/(mol*s)'), n=4.34, Ea=(129.286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13191,8 +13058,8 @@ ) entry( - index = 794, - label = "H2 + C3H3-2 <=> C3H4 + H", + index = 785, + label = "H2-2 + C3H3-3 <=> C3H4-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.031,'cm^3/(mol*s)'), n=4.34, Ea=(93.7216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13204,8 +13071,8 @@ ) entry( - index = 795, - label = "H2 + C4H5-5 <=> C4H6 + H", + index = 786, + label = "H2-2 + C4H5-6 <=> C4H6-6 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01242,'cm^3/(mol*s)'), n=4.34, Ea=(80.8767,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13217,8 +13084,8 @@ ) entry( - index = 796, - label = "H2 + C5H7-3 <=> C5H8 + H", + index = 787, + label = "H2-2 + C5H7-3 <=> C5H8-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0057,'cm^3/(mol*s)'), n=4.34, Ea=(79.496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13230,8 +13097,8 @@ ) entry( - index = 797, - label = "H2 + C5H3 <=> C5H4 + H", + index = 788, + label = "H2-2 + C5H3 <=> C5H4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0556,'cm^3/(mol*s)'), n=4.34, Ea=(103.345,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13243,8 +13110,8 @@ ) entry( - index = 798, - label = "H2 + C6H5-2 <=> C6H6-2 + H", + index = 789, + label = "H2-2 + C6H5-3 <=> C6H6-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00272,'cm^3/(mol*s)'), n=4.34, Ea=(107.947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13256,8 +13123,8 @@ ) entry( - index = 799, - label = "H2 + C7H7 <=> C7H8 + H", + index = 790, + label = "H2-2 + C7H7-5 <=> C7H8-5 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0562,'cm^3/(mol*s)'), n=4.34, Ea=(87.9142,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13269,8 +13136,8 @@ ) entry( - index = 800, - label = "H2 + C8H9 <=> C8H10 + H", + index = 791, + label = "H2-2 + C8H9-2 <=> C8H10-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.029,'cm^3/(mol*s)'), n=4.34, Ea=(79.9144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13282,8 +13149,8 @@ ) entry( - index = 801, - label = "H2 + C9H11 <=> C9H12 + H", + index = 792, + label = "H2-2 + C9H11-2 <=> C9H12-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00173,'cm^3/(mol*s)'), n=4.34, Ea=(78.5755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13295,8 +13162,8 @@ ) entry( - index = 802, - label = "H2 + C3H5-2 <=> C3H6-2 + H", + index = 793, + label = "H2-2 + C3H5-2 <=> C3H6-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01664,'cm^3/(mol*s)'), n=4.34, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13308,8 +13175,8 @@ ) entry( - index = 803, - label = "H2 + C4H5-3 <=> C4H6-4 + H", + index = 794, + label = "H2-2 + C4H5-7 <=> C4H6-7 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01114,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13321,8 +13188,8 @@ ) entry( - index = 804, - label = "H2 + C3H3 <=> C3H4-1 + H", + index = 795, + label = "H2-2 + C3H3-4 <=> C3H4-4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0686,'cm^3/(mol*s)'), n=4.34, Ea=(74.4752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13334,8 +13201,8 @@ ) entry( - index = 805, - label = "H2 + C4H3 <=> C4H4 + H", + index = 796, + label = "H2-2 + C4H3-2 <=> C4H4-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00262,'cm^3/(mol*s)'), n=4.34, Ea=(33.472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13347,8 +13214,8 @@ ) entry( - index = 806, - label = "H2 + CH3S-2 <=> CH3SH_r2 + H", + index = 797, + label = "H2-2 + CH3S-4 <=> CH4S-4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00896,'cm^3/(mol*s)'), n=4.34, Ea=(69.0778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13360,8 +13227,8 @@ ) entry( - index = 807, - label = "H2 + C2H5S <=> C2H6S + H", + index = 798, + label = "H2-2 + C2H5S <=> C2H6S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0306,'cm^3/(mol*s)'), n=4.34, Ea=(57.1953,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13373,8 +13240,8 @@ ) entry( - index = 808, - label = "H2 + C3H7S <=> C3H8S + H", + index = 799, + label = "H2-2 + C3H7S <=> C3H8S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0216,'cm^3/(mol*s)'), n=4.34, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13386,8 +13253,8 @@ ) entry( - index = 809, - label = "H2 + C2H3S-2 <=> C2H4S-2 + H", + index = 800, + label = "H2-2 + C2H3S-2 <=> C2H4S-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0732,'cm^3/(mol*s)'), n=4.34, Ea=(99.9976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13399,8 +13266,8 @@ ) entry( - index = 810, - label = "H2 + C3H5S <=> C3H6S + H", + index = 801, + label = "H2-2 + C3H5S-3 <=> C3H6S-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1388,'cm^3/(mol*s)'), n=4.34, Ea=(112.131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13412,8 +13279,8 @@ ) entry( - index = 811, - label = "H2 + C4H7S <=> C4H8S + H", + index = 802, + label = "H2-2 + C4H7S <=> C4H8S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.078,'cm^3/(mol*s)'), n=4.34, Ea=(122.173,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13425,8 +13292,8 @@ ) entry( - index = 812, - label = "H2 + C2H3S-3 <=> C2H4S-3 + H", + index = 803, + label = "H2-2 + C2H3S-3 <=> C2H4S-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0576,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13438,8 +13305,8 @@ ) entry( - index = 813, - label = "H2 + C3H3S <=> C3H4S + H", + index = 804, + label = "H2-2 + C3H3S <=> C3H4S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0964,'cm^3/(mol*s)'), n=4.34, Ea=(76.9856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13451,8 +13318,8 @@ ) entry( - index = 814, - label = "H2 + C3H5S-2 <=> C3H6S-2 + H", + index = 805, + label = "H2-2 + C3H5S-4 <=> C3H6S-4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1448,'cm^3/(mol*s)'), n=4.34, Ea=(103.554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13464,8 +13331,8 @@ ) entry( - index = 815, - label = "H2 + C4H7S-2 <=> C4H8S-2 + H", + index = 806, + label = "H2-2 + C4H7S-2 <=> C4H8S-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0226,'cm^3/(mol*s)'), n=4.34, Ea=(100.416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13477,8 +13344,8 @@ ) entry( - index = 816, - label = "H2 + C2H3S2 <=> C2H4S2 + H", + index = 807, + label = "H2-2 + C2H3S2 <=> C2H4S2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.138,'cm^3/(mol*s)'), n=4.34, Ea=(151.544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13490,8 +13357,8 @@ ) entry( - index = 817, - label = "H2 + C3H5S2 <=> C3H6S2 + H", + index = 808, + label = "H2-2 + C3H5S2 <=> C3H6S2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.368,'cm^3/(mol*s)'), n=4.34, Ea=(150.289,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13503,8 +13370,8 @@ ) entry( - index = 818, - label = "H2 + C3H3S-2 <=> C3H4S-2 + H", + index = 809, + label = "H2-2 + C3H3S-2 <=> C3H4S-2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0734,'cm^3/(mol*s)'), n=4.34, Ea=(92.4664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13516,8 +13383,8 @@ ) entry( - index = 819, - label = "H2 + C4H5S <=> C4H6S + H", + index = 810, + label = "H2-2 + C4H5S <=> C4H6S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0352,'cm^3/(mol*s)'), n=4.34, Ea=(95.8136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13529,8 +13396,8 @@ ) entry( - index = 820, - label = "H2 + C7H7S <=> C7H8S + H", + index = 811, + label = "H2-2 + C7H7S <=> C7H8S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0346,'cm^3/(mol*s)'), n=4.34, Ea=(91.0438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13542,8 +13409,8 @@ ) entry( - index = 821, - label = "H2 + C8H9S <=> C8H10S + H", + index = 812, + label = "H2-2 + C8H9S <=> C8H10S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01526,'cm^3/(mol*s)'), n=4.34, Ea=(87.4456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13555,8 +13422,8 @@ ) entry( - index = 822, - label = "H2 + CHS <=> CH2S + H", + index = 813, + label = "H2-2 + CHS <=> CH2S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0832,'cm^3/(mol*s)'), n=4.34, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13568,8 +13435,8 @@ ) entry( - index = 823, - label = "H2 + C2H3S <=> C2H4S + H", + index = 814, + label = "H2-2 + C2H3S-4 <=> C2H4S-4 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0646,'cm^3/(mol*s)'), n=4.34, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13581,8 +13448,8 @@ ) entry( - index = 824, - label = "H2 + CHS2 <=> CH2S2 + H", + index = 815, + label = "H2-2 + CHS2 <=> CH2S2 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0992,'cm^3/(mol*s)'), n=4.34, Ea=(70.7096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13594,8 +13461,8 @@ ) entry( - index = 825, - label = "H2 + C3H3S-3 <=> C3H4S-3 + H", + index = 816, + label = "H2-2 + C3H3S-3 <=> C3H4S-3 + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0348,'cm^3/(mol*s)'), n=4.34, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13607,8 +13474,8 @@ ) entry( - index = 826, - label = "H2 + C3HS <=> C3H2S + H", + index = 817, + label = "H2-2 + C3HS <=> C3H2S + H-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0974,'cm^3/(mol*s)'), n=4.34, Ea=(1.29704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13620,8 +13487,8 @@ ) entry( - index = 827, - label = "H + CH4b <=> H2 + CH3_p23", + index = 818, + label = "H + CH4 <=> H2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.876,'cm^3/(mol*s)'), n=4.34, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13633,8 +13500,8 @@ ) entry( - index = 828, - label = "CH4b + C4H9-4 <=> iC4H10b + CH3_p23", + index = 819, + label = "CH4 + C4H9-5 <=> C4H10-5 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00616,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13646,8 +13513,8 @@ ) entry( - index = 829, - label = "C3H5 + CH4b <=> C3H6 + CH3_p23", + index = 820, + label = "C3H5-3 + CH4 <=> C3H6-3 + CH3", degeneracy = 8.0, kinetics = Arrhenius(A=(0.112,'cm^3/(mol*s)'), n=4.34, Ea=(96.6504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13659,8 +13526,8 @@ ) entry( - index = 830, - label = "C4H7-4 + CH4b <=> C4H8-4 + CH3_p23", + index = 821, + label = "C4H7-10 + CH4 <=> C4H8-10 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0424,'cm^3/(mol*s)'), n=4.34, Ea=(104.182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13672,8 +13539,8 @@ ) entry( - index = 831, - label = "C5H9-5 + CH4b <=> C5H10-3 + CH3_p23", + index = 822, + label = "C5H9-6 + CH4 <=> C5H10-6 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00804,'cm^3/(mol*s)'), n=4.34, Ea=(105.855,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13685,8 +13552,8 @@ ) entry( - index = 832, - label = "C5H7-2 + CH4b <=> C5H8-2 + CH3_p23", + index = 823, + label = "C5H7-2 + CH4 <=> C5H8-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1692,'cm^3/(mol*s)'), n=4.34, Ea=(138.49,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13698,8 +13565,8 @@ ) entry( - index = 833, - label = "C6H9 + CH4b <=> C6H10 + CH3_p23", + index = 824, + label = "C6H9 + CH4 <=> C6H10 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00924,'cm^3/(mol*s)'), n=4.34, Ea=(140.582,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13711,8 +13578,8 @@ ) entry( - index = 834, - label = "C3H3-2 + CH4b <=> C3H4 + CH3_p23", + index = 825, + label = "C3H3-3 + CH4 <=> C3H4-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02864,'cm^3/(mol*s)'), n=4.34, Ea=(80.7512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13724,8 +13591,8 @@ ) entry( - index = 835, - label = "C4H5-5 + CH4b <=> C4H6 + CH3_p23", + index = 826, + label = "C4H5-6 + CH4 <=> C4H6-6 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01148,'cm^3/(mol*s)'), n=4.34, Ea=(87.4456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13737,8 +13604,8 @@ ) entry( - index = 836, - label = "C5H7-3 + CH4b <=> C5H8 + CH3_p23", + index = 827, + label = "C5H7-3 + CH4 <=> C5H8-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00528,'cm^3/(mol*s)'), n=4.34, Ea=(90.7928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13750,8 +13617,8 @@ ) entry( - index = 837, - label = "C5H3 + CH4b <=> C5H4 + CH3_p23", + index = 828, + label = "C5H3 + CH4 <=> C5H4 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0512,'cm^3/(mol*s)'), n=4.34, Ea=(114.642,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13763,8 +13630,8 @@ ) entry( - index = 838, - label = "C6H5-2 + CH4b <=> C6H6-2 + CH3_p23", + index = 829, + label = "C6H5-3 + CH4 <=> C6H6-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.002524,'cm^3/(mol*s)'), n=4.34, Ea=(118.826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13776,8 +13643,8 @@ ) entry( - index = 839, - label = "C7H7 + CH4b <=> C7H8 + CH3_p23", + index = 830, + label = "C7H7-5 + CH4 <=> C7H8-5 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.052,'cm^3/(mol*s)'), n=4.34, Ea=(87.864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13789,8 +13656,8 @@ ) entry( - index = 840, - label = "C8H9 + CH4b <=> C8H10 + CH3_p23", + index = 831, + label = "C8H9-2 + CH4 <=> C8H10-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02676,'cm^3/(mol*s)'), n=4.34, Ea=(91.2112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13802,8 +13669,8 @@ ) entry( - index = 841, - label = "C9H11 + CH4b <=> C9H12 + CH3_p23", + index = 832, + label = "C9H11-2 + CH4 <=> C9H12-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0016,'cm^3/(mol*s)'), n=4.34, Ea=(89.5376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13815,8 +13682,8 @@ ) entry( - index = 842, - label = "C2H3 + CH4b <=> C2H4 + CH3_p23", + index = 833, + label = "C2H3 + CH4 <=> C2H4 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02236,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13828,8 +13695,8 @@ ) entry( - index = 843, - label = "C3H5-2 + CH4b <=> C3H6-2 + CH3_p23", + index = 834, + label = "C3H5-2 + CH4 <=> C3H6-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0154,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13841,8 +13708,8 @@ ) entry( - index = 844, - label = "C4H5-3 + CH4b <=> C4H6-4 + CH3_p23", + index = 835, + label = "C4H5-7 + CH4 <=> C4H6-7 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01032,'cm^3/(mol*s)'), n=4.34, Ea=(56.0656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13854,8 +13721,8 @@ ) entry( - index = 845, - label = "C3H3 + CH4b <=> C3H4-1 + CH3_p23", + index = 836, + label = "C3H3-4 + CH4 <=> C3H4-4 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0636,'cm^3/(mol*s)'), n=4.34, Ea=(85.772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13867,8 +13734,8 @@ ) entry( - index = 846, - label = "CH3S-2 + CH4b <=> CH3SH_r2 + CH3_p23", + index = 837, + label = "CH3S-4 + CH4 <=> CH4S-4 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00828,'cm^3/(mol*s)'), n=4.34, Ea=(65.2704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13880,8 +13747,8 @@ ) entry( - index = 847, - label = "C4H3 + CH4b <=> C4H4 + CH3_p23", + index = 838, + label = "C4H3-2 + CH4 <=> C4H4-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00242,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13893,8 +13760,8 @@ ) entry( - index = 848, - label = "C2H5S + CH4b <=> C2H6S + CH3_p23", + index = 839, + label = "C2H5S + CH4 <=> C2H6S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02832,'cm^3/(mol*s)'), n=4.34, Ea=(65.2704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13906,8 +13773,8 @@ ) entry( - index = 849, - label = "C3H7S + CH4b <=> C3H8S + CH3_p23", + index = 840, + label = "C3H7S + CH4 <=> C3H8S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02004,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13919,8 +13786,8 @@ ) entry( - index = 850, - label = "C2H3S-2 + CH4b <=> C2H4S-2 + CH3_p23", + index = 841, + label = "C2H3S-2 + CH4 <=> C2H4S-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0676,'cm^3/(mol*s)'), n=4.34, Ea=(111.294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13932,8 +13799,8 @@ ) entry( - index = 851, - label = "C3H5S + CH4b <=> C3H6S + CH3_p23", + index = 842, + label = "C3H5S-3 + CH4 <=> C3H6S-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1284,'cm^3/(mol*s)'), n=4.34, Ea=(123.428,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13945,8 +13812,8 @@ ) entry( - index = 852, - label = "C4H7S + CH4b <=> C4H8S + CH3_p23", + index = 843, + label = "C4H7S + CH4 <=> C4H8S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0724,'cm^3/(mol*s)'), n=4.34, Ea=(133.47,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13958,8 +13825,8 @@ ) entry( - index = 853, - label = "C2H3S-3 + CH4b <=> C2H4S-3 + CH3_p23", + index = 844, + label = "C2H3S-3 + CH4 <=> C2H4S-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0532,'cm^3/(mol*s)'), n=4.34, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13971,8 +13838,8 @@ ) entry( - index = 854, - label = "C3H3S + CH4b <=> C3H4S + CH3_p23", + index = 845, + label = "C3H3S + CH4 <=> C3H4S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0892,'cm^3/(mol*s)'), n=4.34, Ea=(87.864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13984,8 +13851,8 @@ ) entry( - index = 855, - label = "C3H5S-2 + CH4b <=> C3H6S-2 + CH3_p23", + index = 846, + label = "C3H5S-4 + CH4 <=> C3H6S-4 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.134,'cm^3/(mol*s)'), n=4.34, Ea=(111.713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -13997,8 +13864,8 @@ ) entry( - index = 856, - label = "C4H7S-2 + CH4b <=> C4H8S-2 + CH3_p23", + index = 847, + label = "C4H7S-2 + CH4 <=> C4H8S-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.021,'cm^3/(mol*s)'), n=4.34, Ea=(111.713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14010,8 +13877,8 @@ ) entry( - index = 857, - label = "C2H3S2 + CH4b <=> C2H4S2 + CH3_p23", + index = 848, + label = "C2H3S2 + CH4 <=> C2H4S2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(1.052,'cm^3/(mol*s)'), n=4.34, Ea=(151.461,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14023,8 +13890,8 @@ ) entry( - index = 858, - label = "C3H5S2 + CH4b <=> C3H6S2 + CH3_p23", + index = 849, + label = "C3H5S2 + CH4 <=> C3H6S2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.3412,'cm^3/(mol*s)'), n=4.34, Ea=(157.318,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14036,8 +13903,8 @@ ) entry( - index = 859, - label = "C3H3S-2 + CH4b <=> C3H4S-2 + CH3_p23", + index = 850, + label = "C3H3S-2 + CH4 <=> C3H4S-2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.068,'cm^3/(mol*s)'), n=4.34, Ea=(103.345,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14049,8 +13916,8 @@ ) entry( - index = 860, - label = "C4H5S + CH4b <=> C4H6S + CH3_p23", + index = 851, + label = "C4H5S + CH4 <=> C4H6S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0326,'cm^3/(mol*s)'), n=4.34, Ea=(106.692,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14062,8 +13929,8 @@ ) entry( - index = 861, - label = "C7H7S + CH4b <=> C7H8S + CH3_p23", + index = 852, + label = "C7H7S + CH4 <=> C7H8S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.03212,'cm^3/(mol*s)'), n=4.34, Ea=(102.09,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14075,8 +13942,8 @@ ) entry( - index = 862, - label = "C8H9S + CH4b <=> C8H10S + CH3_p23", + index = 853, + label = "C8H9S + CH4 <=> C8H10S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01412,'cm^3/(mol*s)'), n=4.34, Ea=(98.324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14088,8 +13955,8 @@ ) entry( - index = 863, - label = "CHS + CH4b <=> CH2S + CH3_p23", + index = 854, + label = "CHS + CH4 <=> CH2S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0768,'cm^3/(mol*s)'), n=4.34, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14101,8 +13968,8 @@ ) entry( - index = 864, - label = "CH4b + C2H3S <=> C2H4S + CH3_p23", + index = 855, + label = "CH4 + C2H3S-4 <=> C2H4S-4 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.06,'cm^3/(mol*s)'), n=4.34, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14114,8 +13981,8 @@ ) entry( - index = 865, - label = "CHS2 + CH4b <=> CH2S2 + CH3_p23", + index = 856, + label = "CHS2 + CH4 <=> CH2S2 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0916,'cm^3/(mol*s)'), n=4.34, Ea=(82.0064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14127,8 +13994,8 @@ ) entry( - index = 866, - label = "C3H3S-3 + CH4b <=> C3H4S-3 + CH3_p23", + index = 857, + label = "C3H3S-3 + CH4 <=> C3H4S-3 + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.03224,'cm^3/(mol*s)'), n=4.34, Ea=(82.8432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14140,8 +14007,8 @@ ) entry( - index = 867, - label = "C3HS + CH4b <=> C3H2S + CH3_p23", + index = 858, + label = "C3HS + CH4 <=> C3H2S + CH3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.09,'cm^3/(mol*s)'), n=4.34, Ea=(98.324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14153,8 +14020,8 @@ ) entry( - index = 868, - label = "C3H7 + C2H6 <=> C3H8 + C2H5", + index = 859, + label = "C3H7-2 + C2H6 <=> C3H8-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00636,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14166,8 +14033,8 @@ ) entry( - index = 869, - label = "C4H9-4 + C2H6 <=> iC4H10b + C2H5", + index = 860, + label = "C4H9-5 + C2H6 <=> C4H10-5 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00636,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14179,8 +14046,8 @@ ) entry( - index = 870, - label = "C3H5 + C2H6 <=> C3H6 + C2H5", + index = 861, + label = "C3H5-3 + C2H6 <=> C3H6-3 + C2H5", degeneracy = 12.0, kinetics = Arrhenius(A=(0.1752,'cm^3/(mol*s)'), n=4.34, Ea=(82.4248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14192,8 +14059,8 @@ ) entry( - index = 871, - label = "C4H7-4 + C2H6 <=> C4H8-4 + C2H5", + index = 862, + label = "C4H7-10 + C2H6 <=> C4H8-10 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.054,'cm^3/(mol*s)'), n=4.34, Ea=(89.1192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14205,8 +14072,8 @@ ) entry( - index = 872, - label = "C5H9-5 + C2H6 <=> C5H10-3 + C2H5", + index = 863, + label = "C5H9-6 + C2H6 <=> C5H10-6 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0084,'cm^3/(mol*s)'), n=4.34, Ea=(90.3744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14218,7 +14085,7 @@ ) entry( - index = 873, + index = 864, label = "C5H7-2 + C2H6 <=> C5H8-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2166,'cm^3/(mol*s)'), n=4.34, Ea=(119.662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14231,7 +14098,7 @@ ) entry( - index = 874, + index = 865, label = "C6H9 + C2H6 <=> C6H10 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00966,'cm^3/(mol*s)'), n=4.34, Ea=(120.918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14244,8 +14111,8 @@ ) entry( - index = 875, - label = "C3H3-2 + C2H6 <=> C3H4 + C2H5", + index = 866, + label = "C3H3-3 + C2H6 <=> C3H4-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.04464,'cm^3/(mol*s)'), n=4.34, Ea=(66.5256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14257,8 +14124,8 @@ ) entry( - index = 876, - label = "C4H5-5 + C2H6 <=> C4H6 + C2H5", + index = 867, + label = "C4H5-6 + C2H6 <=> C4H6-6 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01464,'cm^3/(mol*s)'), n=4.34, Ea=(72.3832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14270,8 +14137,8 @@ ) entry( - index = 877, - label = "C5H7-3 + C2H6 <=> C5H8 + C2H5", + index = 868, + label = "C5H7-3 + C2H6 <=> C5H8-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00549,'cm^3/(mol*s)'), n=4.34, Ea=(75.312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14283,7 +14150,7 @@ ) entry( - index = 878, + index = 869, label = "C5H3 + C2H6 <=> C5H4 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.066,'cm^3/(mol*s)'), n=4.34, Ea=(95.8136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14296,8 +14163,8 @@ ) entry( - index = 879, - label = "C6H5-2 + C2H6 <=> C6H6-2 + C2H5", + index = 870, + label = "C6H5-3 + C2H6 <=> C6H6-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00264,'cm^3/(mol*s)'), n=4.34, Ea=(99.5792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14309,8 +14176,8 @@ ) entry( - index = 880, - label = "C7H7 + C2H6 <=> C7H8 + C2H5", + index = 871, + label = "C7H7-5 + C2H6 <=> C7H8-5 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.081,'cm^3/(mol*s)'), n=4.34, Ea=(73.6384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14322,8 +14189,8 @@ ) entry( - index = 881, - label = "C8H9 + C2H6 <=> C8H10 + C2H5", + index = 872, + label = "C8H9-2 + C2H6 <=> C8H10-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.03408,'cm^3/(mol*s)'), n=4.34, Ea=(76.1488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14335,8 +14202,8 @@ ) entry( - index = 882, - label = "C9H11 + C2H6 <=> C9H12 + C2H5", + index = 873, + label = "C9H11-2 + C2H6 <=> C9H12-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.001668,'cm^3/(mol*s)'), n=4.34, Ea=(74.0568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14348,7 +14215,7 @@ ) entry( - index = 883, + index = 874, label = "C2H3 + C2H6 <=> C2H4 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.04248,'cm^3/(mol*s)'), n=4.34, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14361,7 +14228,7 @@ ) entry( - index = 884, + index = 875, label = "C3H5-2 + C2H6 <=> C3H6-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.02388,'cm^3/(mol*s)'), n=4.34, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14374,8 +14241,8 @@ ) entry( - index = 885, - label = "C4H5-3 + C2H6 <=> C4H6-4 + C2H5", + index = 876, + label = "C4H5-7 + C2H6 <=> C4H6-7 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01962,'cm^3/(mol*s)'), n=4.34, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14387,8 +14254,8 @@ ) entry( - index = 886, - label = "C4H3 + C2H6 <=> C4H4 + C2H5", + index = 877, + label = "C4H3-2 + C2H6 <=> C4H4-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.004602,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14400,8 +14267,8 @@ ) entry( - index = 887, - label = "CH3S-2 + C2H6 <=> CH3SH_r2 + C2H5", + index = 878, + label = "CH3S-4 + C2H6 <=> CH4S-4 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01518,'cm^3/(mol*s)'), n=4.34, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14413,8 +14280,8 @@ ) entry( - index = 888, - label = "C3H3 + C2H6 <=> C3H4-1 + C2H5", + index = 879, + label = "C3H3-4 + C2H6 <=> C3H4-4 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.099,'cm^3/(mol*s)'), n=4.34, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14426,7 +14293,7 @@ ) entry( - index = 889, + index = 880, label = "C2H5S + C2H6 <=> C2H6S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.04236,'cm^3/(mol*s)'), n=4.34, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14439,7 +14306,7 @@ ) entry( - index = 890, + index = 881, label = "C3H7S + C2H6 <=> C3H8S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.02448,'cm^3/(mol*s)'), n=4.34, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14452,7 +14319,7 @@ ) entry( - index = 891, + index = 882, label = "C2H3S-2 + C2H6 <=> C2H4S-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0882,'cm^3/(mol*s)'), n=4.34, Ea=(94.5584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14465,8 +14332,8 @@ ) entry( - index = 892, - label = "C3H5S + C2H6 <=> C3H6S + C2H5", + index = 883, + label = "C3H5S-3 + C2H6 <=> C3H6S-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1362,'cm^3/(mol*s)'), n=4.34, Ea=(106.274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14478,7 +14345,7 @@ ) entry( - index = 893, + index = 884, label = "C4H7S + C2H6 <=> C4H8S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0624,'cm^3/(mol*s)'), n=4.34, Ea=(115.478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14491,7 +14358,7 @@ ) entry( - index = 894, + index = 885, label = "C2H3S-3 + C2H6 <=> C2H4S-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.069,'cm^3/(mol*s)'), n=4.34, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14504,7 +14371,7 @@ ) entry( - index = 895, + index = 886, label = "C3H3S + C2H6 <=> C3H4S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1698,'cm^3/(mol*s)'), n=4.34, Ea=(78.2408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14517,8 +14384,8 @@ ) entry( - index = 896, - label = "C3H5S-2 + C2H6 <=> C3H6S-2 + C2H5", + index = 887, + label = "C3H5S-4 + C2H6 <=> C3H6S-4 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2016,'cm^3/(mol*s)'), n=4.34, Ea=(94.5584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14530,7 +14397,7 @@ ) entry( - index = 897, + index = 888, label = "C4H7S-2 + C2H6 <=> C4H8S-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0258,'cm^3/(mol*s)'), n=4.34, Ea=(93.7216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14543,7 +14410,7 @@ ) entry( - index = 898, + index = 889, label = "C2H3S2 + C2H6 <=> C2H4S2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(1.32,'cm^3/(mol*s)'), n=4.34, Ea=(131.796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14556,7 +14423,7 @@ ) entry( - index = 899, + index = 890, label = "C3H5S2 + C2H6 <=> C3H6S2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.3492,'cm^3/(mol*s)'), n=4.34, Ea=(136.817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14569,7 +14436,7 @@ ) entry( - index = 900, + index = 891, label = "C3H3S-2 + C2H6 <=> C3H4S-2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.102,'cm^3/(mol*s)'), n=4.34, Ea=(86.1904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14582,7 +14449,7 @@ ) entry( - index = 901, + index = 892, label = "C4H5S + C2H6 <=> C4H6S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.04002,'cm^3/(mol*s)'), n=4.34, Ea=(88.7008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14595,7 +14462,7 @@ ) entry( - index = 902, + index = 893, label = "C7H7S + C2H6 <=> C7H8S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.04824,'cm^3/(mol*s)'), n=4.34, Ea=(84.9352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14608,7 +14475,7 @@ ) entry( - index = 903, + index = 894, label = "C8H9S + C2H6 <=> C8H10S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01734,'cm^3/(mol*s)'), n=4.34, Ea=(80.3328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14621,7 +14488,7 @@ ) entry( - index = 904, + index = 895, label = "CHS + C2H6 <=> CH2S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1464,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14634,8 +14501,8 @@ ) entry( - index = 905, - label = "C2H3S + C2H6 <=> C2H4S + C2H5", + index = 896, + label = "C2H3S-4 + C2H6 <=> C2H4S-4 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.093,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14647,7 +14514,7 @@ ) entry( - index = 906, + index = 897, label = "CHS2 + C2H6 <=> CH2S2 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.168,'cm^3/(mol*s)'), n=4.34, Ea=(69.036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14660,7 +14527,7 @@ ) entry( - index = 907, + index = 898, label = "C3H3S-3 + C2H6 <=> C3H4S-3 + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0612,'cm^3/(mol*s)'), n=4.34, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14673,7 +14540,7 @@ ) entry( - index = 908, + index = 899, label = "C3HS + C2H6 <=> C3H2S + C2H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1716,'cm^3/(mol*s)'), n=4.34, Ea=(88.7008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14686,7 +14553,7 @@ ) entry( - index = 909, + index = 900, label = "H + C3H8 <=> H2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.678,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14699,8 +14566,8 @@ ) entry( - index = 910, - label = "CH3_r3 + C3H8 <=> CH4b + C3H7", + index = 901, + label = "CH3-2 + C3H8 <=> CH4-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01606,'cm^3/(mol*s)'), n=4.34, Ea=(27.6562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14712,8 +14579,8 @@ ) entry( - index = 911, - label = "C2H5 + C3H8 <=> C2H6 + C3H7", + index = 902, + label = "C2H5-2 + C3H8 <=> C2H6-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00184,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14725,8 +14592,8 @@ ) entry( - index = 912, - label = "C4H9-4 + C3H8 <=> iC4H10b + C3H7", + index = 903, + label = "C4H9-5 + C3H8 <=> C4H10-5 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001416,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14738,8 +14605,8 @@ ) entry( - index = 913, - label = "C3H5 + C3H8 <=> C3H6 + C3H7", + index = 904, + label = "C3H5-3 + C3H8 <=> C3H6-3 + C3H7", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0584,'cm^3/(mol*s)'), n=4.34, Ea=(69.4544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14751,8 +14618,8 @@ ) entry( - index = 914, - label = "C4H7-4 + C3H8 <=> C4H8-4 + C3H7", + index = 905, + label = "C4H7-10 + C3H8 <=> C4H8-10 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01476,'cm^3/(mol*s)'), n=4.34, Ea=(75.312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14764,8 +14631,8 @@ ) entry( - index = 915, - label = "C5H9-5 + C3H8 <=> C5H10-3 + C3H7", + index = 906, + label = "C5H9-6 + C3H8 <=> C5H10-6 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00187,'cm^3/(mol*s)'), n=4.34, Ea=(75.7304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14777,7 +14644,7 @@ ) entry( - index = 916, + index = 907, label = "C5H7-2 + C3H8 <=> C5H8-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0594,'cm^3/(mol*s)'), n=4.34, Ea=(102.508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14790,7 +14657,7 @@ ) entry( - index = 917, + index = 908, label = "C6H9 + C3H8 <=> C6H10 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00216,'cm^3/(mol*s)'), n=4.34, Ea=(102.926,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14803,8 +14670,8 @@ ) entry( - index = 918, - label = "C3H3-2 + C3H8 <=> C3H4 + C3H7", + index = 909, + label = "C3H3-3 + C3H8 <=> C3H4-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01494,'cm^3/(mol*s)'), n=4.34, Ea=(59.9149,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14816,8 +14683,8 @@ ) entry( - index = 919, - label = "C4H5-5 + C3H8 <=> C4H6 + C3H7", + index = 910, + label = "C4H5-6 + C3H8 <=> C4H6-6 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.004,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14829,8 +14696,8 @@ ) entry( - index = 920, - label = "C5H7-3 + C3H8 <=> C5H8 + C3H7", + index = 911, + label = "C5H7-3 + C3H8 <=> C5H8-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001226,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14842,7 +14709,7 @@ ) entry( - index = 921, + index = 912, label = "C5H3 + C3H8 <=> C5H4 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01804,'cm^3/(mol*s)'), n=4.34, Ea=(78.2408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14855,8 +14722,8 @@ ) entry( - index = 922, - label = "C6H5-2 + C3H8 <=> C6H6-2 + C3H7", + index = 913, + label = "C6H5-3 + C3H8 <=> C6H6-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000592,'cm^3/(mol*s)'), n=4.34, Ea=(81.1696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14868,8 +14735,8 @@ ) entry( - index = 923, - label = "C7H7 + C3H8 <=> C7H8 + C3H7", + index = 914, + label = "C7H7-5 + C3H8 <=> C7H8-5 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0272,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14881,8 +14748,8 @@ ) entry( - index = 924, - label = "C8H9 + C3H8 <=> C8H10 + C3H7", + index = 915, + label = "C8H9-2 + C3H8 <=> C8H10-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00932,'cm^3/(mol*s)'), n=4.34, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14894,8 +14761,8 @@ ) entry( - index = 925, - label = "C9H11 + C3H8 <=> C9H12 + C3H7", + index = 916, + label = "C9H11-2 + C3H8 <=> C9H12-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000372,'cm^3/(mol*s)'), n=4.34, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14907,7 +14774,7 @@ ) entry( - index = 926, + index = 917, label = "C3H5-2 + C3H8 <=> C3H6-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00796,'cm^3/(mol*s)'), n=4.34, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14920,8 +14787,8 @@ ) entry( - index = 927, - label = "C4H5-3 + C3H8 <=> C4H6-4 + C3H7", + index = 918, + label = "C4H5-7 + C3H8 <=> C4H6-7 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.008,'cm^3/(mol*s)'), n=4.34, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14933,8 +14800,8 @@ ) entry( - index = 928, - label = "C6H5 + C3H8 <=> C6H6 + C3H7", + index = 919, + label = "C6H5-2 + C3H8 <=> C6H6-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.022,'cm^3/(mol*s)'), n=4.34, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14946,8 +14813,8 @@ ) entry( - index = 929, - label = "C4H3 + C3H8 <=> C4H4 + C3H7", + index = 920, + label = "C4H3-2 + C3H8 <=> C4H4-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001878,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14959,8 +14826,8 @@ ) entry( - index = 930, - label = "CH3S-2 + C3H8 <=> CH3SH_r2 + C3H7", + index = 921, + label = "CH3S-4 + C3H8 <=> CH4S-4 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00596,'cm^3/(mol*s)'), n=4.34, Ea=(41.0032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14972,7 +14839,7 @@ ) entry( - index = 931, + index = 922, label = "C2H5S + C3H8 <=> C2H6S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01362,'cm^3/(mol*s)'), n=4.34, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -14985,8 +14852,8 @@ ) entry( - index = 932, - label = "C3H3 + C3H8 <=> C3H4-1 + C3H7", + index = 923, + label = "C3H3-4 + C3H8 <=> C3H4-4 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0332,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -14998,7 +14865,7 @@ ) entry( - index = 933, + index = 924, label = "C3H7S + C3H8 <=> C3H8S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00642,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15011,7 +14878,7 @@ ) entry( - index = 934, + index = 925, label = "C2H3S-2 + C3H8 <=> C2H4S-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0246,'cm^3/(mol*s)'), n=4.34, Ea=(79.496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15024,8 +14891,8 @@ ) entry( - index = 935, - label = "C3H5S + C3H8 <=> C3H6S + C3H7", + index = 926, + label = "C3H5S-3 + C3H8 <=> C3H6S-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.031,'cm^3/(mol*s)'), n=4.34, Ea=(90.3744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15037,7 +14904,7 @@ ) entry( - index = 936, + index = 927, label = "C4H7S + C3H8 <=> C4H8S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01164,'cm^3/(mol*s)'), n=4.34, Ea=(99.1608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15050,7 +14917,7 @@ ) entry( - index = 937, + index = 928, label = "C2H3S-3 + C3H8 <=> C2H4S-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0193,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15063,7 +14930,7 @@ ) entry( - index = 938, + index = 929, label = "C3H3S + C3H8 <=> C3H4S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0692,'cm^3/(mol*s)'), n=4.34, Ea=(69.8728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15076,8 +14943,8 @@ ) entry( - index = 939, - label = "C3H5S-2 + C3H8 <=> C3H6S-2 + C3H7", + index = 930, + label = "C3H5S-4 + C3H8 <=> C3H6S-4 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.065,'cm^3/(mol*s)'), n=4.34, Ea=(78.6592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15089,7 +14956,7 @@ ) entry( - index = 940, + index = 931, label = "C4H7S-2 + C3H8 <=> C4H8S-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0068,'cm^3/(mol*s)'), n=4.34, Ea=(76.9856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15102,7 +14969,7 @@ ) entry( - index = 941, + index = 932, label = "C2H3S2 + C3H8 <=> C2H4S2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.354,'cm^3/(mol*s)'), n=4.34, Ea=(117.738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15115,7 +14982,7 @@ ) entry( - index = 942, + index = 933, label = "C3H5S2 + C3H8 <=> C3H6S2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0766,'cm^3/(mol*s)'), n=4.34, Ea=(117.989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15128,7 +14995,7 @@ ) entry( - index = 943, + index = 934, label = "C3H3S-2 + C3H8 <=> C3H4S-2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.033,'cm^3/(mol*s)'), n=4.34, Ea=(70.2912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15141,7 +15008,7 @@ ) entry( - index = 944, + index = 935, label = "C4H5S + C3H8 <=> C4H6S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01056,'cm^3/(mol*s)'), n=4.34, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15154,7 +15021,7 @@ ) entry( - index = 945, + index = 936, label = "C7H7S + C3H8 <=> C7H8S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01556,'cm^3/(mol*s)'), n=4.34, Ea=(69.036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15167,7 +15034,7 @@ ) entry( - index = 946, + index = 937, label = "C8H9S + C3H8 <=> C8H10S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00458,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15180,7 +15047,7 @@ ) entry( - index = 947, + index = 938, label = "CHS + C3H8 <=> CH2S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0596,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15193,8 +15060,8 @@ ) entry( - index = 948, - label = "C2H3S + C3H8 <=> C2H4S + C3H7", + index = 939, + label = "C2H3S-4 + C3H8 <=> C2H4S-4 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.031,'cm^3/(mol*s)'), n=4.34, Ea=(51.4632,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15206,7 +15073,7 @@ ) entry( - index = 949, + index = 940, label = "CHS2 + C3H8 <=> CH2S2 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.066,'cm^3/(mol*s)'), n=4.34, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15219,7 +15086,7 @@ ) entry( - index = 950, + index = 941, label = "C3H3S-3 + C3H8 <=> C3H4S-3 + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.025,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15232,7 +15099,7 @@ ) entry( - index = 951, + index = 942, label = "C3HS + C3H8 <=> C3H2S + C3H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.07,'cm^3/(mol*s)'), n=4.34, Ea=(80.3328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15245,8 +15112,8 @@ ) entry( - index = 952, - label = "H + iC4H10b <=> H2 + C4H9-4", + index = 943, + label = "H + C4H10-4 <=> H2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.476,'cm^3/(mol*s)'), n=4.34, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15258,8 +15125,8 @@ ) entry( - index = 953, - label = "CH3_r3 + iC4H10b <=> CH4b + C4H9-4", + index = 944, + label = "CH3-2 + C4H10-4 <=> CH4-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0113,'cm^3/(mol*s)'), n=4.34, Ea=(32.175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15271,8 +15138,8 @@ ) entry( - index = 954, - label = "C2H5 + iC4H10b <=> C2H6 + C4H9-4", + index = 945, + label = "C2H5-2 + C4H10-4 <=> C2H6-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00106,'cm^3/(mol*s)'), n=4.34, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15284,8 +15151,8 @@ ) entry( - index = 955, - label = "C3H7 + iC4H10b <=> C3H8 + C4H9-4", + index = 946, + label = "C3H7-2 + C4H10-4 <=> C3H8-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000811,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15297,8 +15164,8 @@ ) entry( - index = 956, - label = "C3H5 + iC4H10b <=> C3H6 + C4H9-4", + index = 947, + label = "C3H5-3 + C4H10-4 <=> C3H6-3 + C4H9-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0338,'cm^3/(mol*s)'), n=4.34, Ea=(69.4544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15310,8 +15177,8 @@ ) entry( - index = 957, - label = "C4H7-4 + iC4H10b <=> C4H8-4 + C4H9-4", + index = 948, + label = "C4H7-10 + C4H10-4 <=> C4H8-10 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00695,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15323,8 +15190,8 @@ ) entry( - index = 958, - label = "C5H9-5 + iC4H10b <=> C5H10-3 + C4H9-4", + index = 949, + label = "C5H9-6 + C4H10-4 <=> C5H10-6 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000719,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15336,8 +15203,8 @@ ) entry( - index = 959, - label = "C5H7-2 + iC4H10b <=> C5H8-2 + C4H9-4", + index = 950, + label = "C5H7-2 + C4H10-4 <=> C5H8-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0281,'cm^3/(mol*s)'), n=4.34, Ea=(95.7718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15349,8 +15216,8 @@ ) entry( - index = 960, - label = "C6H9 + iC4H10b <=> C6H10 + C4H9-4", + index = 951, + label = "C6H9 + C4H10-4 <=> C6H10 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000837,'cm^3/(mol*s)'), n=4.34, Ea=(85.3536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15362,8 +15229,8 @@ ) entry( - index = 961, - label = "C3H3-2 + iC4H10b <=> C3H4 + C4H9-4", + index = 952, + label = "C3H3-3 + C4H10-4 <=> C3H4-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00862,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15375,8 +15242,8 @@ ) entry( - index = 962, - label = "C4H5-5 + iC4H10b <=> C4H6 + C4H9-4", + index = 953, + label = "C4H5-6 + C4H10-4 <=> C4H6-6 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00189,'cm^3/(mol*s)'), n=4.34, Ea=(51.5887,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15388,8 +15255,8 @@ ) entry( - index = 963, - label = "C5H7-3 + iC4H10b <=> C5H8 + C4H9-4", + index = 954, + label = "C5H7-3 + C4H10-4 <=> C5H8-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000471,'cm^3/(mol*s)'), n=4.34, Ea=(49.4549,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15401,8 +15268,8 @@ ) entry( - index = 964, - label = "C5H3 + iC4H10b <=> C5H4 + C4H9-4", + index = 955, + label = "C5H3 + C4H10-4 <=> C5H4 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00854,'cm^3/(mol*s)'), n=4.34, Ea=(61.5048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15414,8 +15281,8 @@ ) entry( - index = 965, - label = "C6H5-2 + iC4H10b <=> C6H6-2 + C4H9-4", + index = 956, + label = "C6H5-3 + C4H10-4 <=> C6H6-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000229,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15427,8 +15294,8 @@ ) entry( - index = 966, - label = "C7H7 + iC4H10b <=> C7H8 + C4H9-4", + index = 957, + label = "C7H7-5 + C4H10-4 <=> C7H8-5 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0157,'cm^3/(mol*s)'), n=4.34, Ea=(58.6262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15440,8 +15307,8 @@ ) entry( - index = 967, - label = "C8H9 + iC4H10b <=> C8H10 + C4H9-4", + index = 958, + label = "C8H9-2 + C4H10-4 <=> C8H10-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00439,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15453,8 +15320,8 @@ ) entry( - index = 968, - label = "C9H11 + iC4H10b <=> C9H12 + C4H9-4", + index = 959, + label = "C9H11-2 + C4H10-4 <=> C9H12-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000143,'cm^3/(mol*s)'), n=4.34, Ea=(49.2875,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15466,8 +15333,8 @@ ) entry( - index = 969, - label = "C3H5-2 + iC4H10b <=> C3H6-2 + C4H9-4", + index = 960, + label = "C3H5-2 + C4H10-4 <=> C3H6-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00457,'cm^3/(mol*s)'), n=4.34, Ea=(-0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15479,8 +15346,8 @@ ) entry( - index = 970, - label = "C4H5-3 + iC4H10b <=> C4H6-4 + C4H9-4", + index = 961, + label = "C4H5-7 + C4H10-4 <=> C4H6-7 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00562,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15492,8 +15359,8 @@ ) entry( - index = 971, - label = "C6H5 + iC4H10b <=> C6H6 + C4H9-4", + index = 962, + label = "C6H5-2 + C4H10-4 <=> C6H6-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0155,'cm^3/(mol*s)'), n=4.34, Ea=(-13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15505,8 +15372,8 @@ ) entry( - index = 972, - label = "C4H3 + iC4H10b <=> C4H4 + C4H9-4", + index = 963, + label = "C4H3-2 + C4H10-4 <=> C4H4-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00132,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15518,8 +15385,8 @@ ) entry( - index = 973, - label = "CH3S-2 + iC4H10b <=> CH3SH_r2 + C4H9-4", + index = 964, + label = "CH3S-4 + C4H10-4 <=> CH4S-4 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00404,'cm^3/(mol*s)'), n=4.34, Ea=(39.7898,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15531,8 +15398,8 @@ ) entry( - index = 974, - label = "C2H5S + iC4H10b <=> C2H6S + C4H9-4", + index = 965, + label = "C2H5S + C4H10-4 <=> C2H6S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00753,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15544,8 +15411,8 @@ ) entry( - index = 975, - label = "C3H7S + iC4H10b <=> C3H8S + C4H9-4", + index = 966, + label = "C3H7S + C4H10-4 <=> C3H8S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0029,'cm^3/(mol*s)'), n=4.34, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15557,8 +15424,8 @@ ) entry( - index = 976, - label = "C3H3 + iC4H10b <=> C3H4-1 + C4H9-4", + index = 967, + label = "C3H3-4 + C4H10-4 <=> C3H4-4 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0191,'cm^3/(mol*s)'), n=4.34, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15570,8 +15437,8 @@ ) entry( - index = 977, - label = "C2H3S-2 + iC4H10b <=> C2H4S-2 + C4H9-4", + index = 968, + label = "C2H3S-2 + C4H10-4 <=> C2H4S-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0118,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15583,8 +15450,8 @@ ) entry( - index = 978, - label = "C3H5S + iC4H10b <=> C3H6S + C4H9-4", + index = 969, + label = "C3H5S-3 + C4H10-4 <=> C3H6S-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0122,'cm^3/(mol*s)'), n=4.34, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15596,8 +15463,8 @@ ) entry( - index = 979, - label = "C4H7S + iC4H10b <=> C4H8S + C4H9-4", + index = 970, + label = "C4H7S + C4H10-4 <=> C4H8S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00373,'cm^3/(mol*s)'), n=4.34, Ea=(82.8432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15609,8 +15476,8 @@ ) entry( - index = 980, - label = "C2H3S-3 + iC4H10b <=> C2H4S-3 + C4H9-4", + index = 971, + label = "C2H3S-3 + C4H10-4 <=> C2H4S-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00927,'cm^3/(mol*s)'), n=4.34, Ea=(-13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15622,8 +15489,8 @@ ) entry( - index = 981, - label = "C3H3S + iC4H10b <=> C3H4S + C4H9-4", + index = 972, + label = "C3H3S + C4H10-4 <=> C3H4S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0487,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15635,8 +15502,8 @@ ) entry( - index = 982, - label = "C3H5S-2 + iC4H10b <=> C3H6S-2 + C4H9-4", + index = 973, + label = "C3H5S-4 + C4H10-4 <=> C3H6S-4 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0361,'cm^3/(mol*s)'), n=4.34, Ea=(74.266,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15648,8 +15515,8 @@ ) entry( - index = 983, - label = "C4H7S-2 + iC4H10b <=> C4H8S-2 + C4H9-4", + index = 974, + label = "C4H7S-2 + C4H10-4 <=> C4H8S-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00308,'cm^3/(mol*s)'), n=4.34, Ea=(69.7891,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15661,8 +15528,8 @@ ) entry( - index = 984, - label = "C2H3S2 + iC4H10b <=> C2H4S2 + C4H9-4", + index = 975, + label = "C2H3S2 + C4H10-4 <=> C2H4S2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.164,'cm^3/(mol*s)'), n=4.34, Ea=(122.256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15674,8 +15541,8 @@ ) entry( - index = 985, - label = "C3H5S2 + iC4H10b <=> C3H6S2 + C4H9-4", + index = 976, + label = "C3H5S2 + C4H10-4 <=> C3H6S2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.029,'cm^3/(mol*s)'), n=4.34, Ea=(121.001,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15687,8 +15554,8 @@ ) entry( - index = 986, - label = "C3H3S-2 + iC4H10b <=> C3H4S-2 + C4H9-4", + index = 977, + label = "C3H3S-2 + C4H10-4 <=> C3H4S-2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0183,'cm^3/(mol*s)'), n=4.34, Ea=(57.781,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15700,8 +15567,8 @@ ) entry( - index = 987, - label = "C4H5S + iC4H10b <=> C4H6S + C4H9-4", + index = 978, + label = "C4H5S + C4H10-4 <=> C4H6S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00479,'cm^3/(mol*s)'), n=4.34, Ea=(56.0656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15713,8 +15580,8 @@ ) entry( - index = 988, - label = "C7H7S + iC4H10b <=> C7H8S + C4H9-4", + index = 979, + label = "C7H7S + C4H10-4 <=> C7H8S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00865,'cm^3/(mol*s)'), n=4.34, Ea=(61.7558,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15726,8 +15593,8 @@ ) entry( - index = 989, - label = "C8H9S + iC4H10b <=> C8H10S + C4H9-4", + index = 980, + label = "C8H9S + C4H10-4 <=> C8H10S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00207,'cm^3/(mol*s)'), n=4.34, Ea=(50.8774,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15739,8 +15606,8 @@ ) entry( - index = 990, - label = "CHS + iC4H10b <=> CH2S + C4H9-4", + index = 981, + label = "CHS + C4H10-4 <=> CH2S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0419,'cm^3/(mol*s)'), n=4.34, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15752,8 +15619,8 @@ ) entry( - index = 991, - label = "C2H3S + iC4H10b <=> C2H4S + C4H9-4", + index = 982, + label = "C2H3S-4 + C4H10-4 <=> C2H4S-4 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0178,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15765,8 +15632,8 @@ ) entry( - index = 992, - label = "CHS2 + iC4H10b <=> CH2S2 + C4H9-4", + index = 983, + label = "CHS2 + C4H10-4 <=> CH2S2 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0448,'cm^3/(mol*s)'), n=4.34, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15778,8 +15645,8 @@ ) entry( - index = 993, - label = "C3H3S-3 + iC4H10b <=> C3H4S-3 + C4H9-4", + index = 984, + label = "C3H3S-3 + C4H10-4 <=> C3H4S-3 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0176,'cm^3/(mol*s)'), n=4.34, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15791,8 +15658,8 @@ ) entry( - index = 994, - label = "C3HS + iC4H10b <=> C3H2S + C4H9-4", + index = 985, + label = "C3HS + C4H10-4 <=> C3H2S + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0492,'cm^3/(mol*s)'), n=4.34, Ea=(72.3832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15804,7 +15671,7 @@ ) entry( - index = 995, + index = 986, label = "H + C3H6 <=> H2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.2607,'cm^3/(mol*s)'), n=4.34, Ea=(10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15817,8 +15684,8 @@ ) entry( - index = 996, - label = "CH3_r3 + C3H6 <=> CH4b + C3H5", + index = 987, + label = "CH3-2 + C3H6 <=> CH4-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00618,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15830,8 +15697,8 @@ ) entry( - index = 997, - label = "C3H6 + C2H5 <=> C2H6 + C3H5", + index = 988, + label = "C3H6 + C2H5-2 <=> C2H6-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00087,'cm^3/(mol*s)'), n=4.34, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15843,8 +15710,8 @@ ) entry( - index = 998, - label = "C3H6 + C3H7 <=> C3H8 + C3H5", + index = 989, + label = "C3H6 + C3H7-2 <=> C3H8-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001008,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15856,8 +15723,8 @@ ) entry( - index = 999, - label = "C3H6 + C4H9-4 <=> iC4H10b + C3H5", + index = 990, + label = "C3H6 + C4H9-5 <=> C4H10-5 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001014,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15869,8 +15736,8 @@ ) entry( - index = 1000, - label = "C4H7-4 + C3H6 <=> C4H8-4 + C3H5", + index = 991, + label = "C4H7-10 + C3H6 <=> C4H8-10 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002691,'cm^3/(mol*s)'), n=4.34, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15882,8 +15749,8 @@ ) entry( - index = 1001, - label = "C5H9-5 + C3H6 <=> C5H10-3 + C3H5", + index = 992, + label = "C5H9-6 + C3H6 <=> C5H10-6 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00042,'cm^3/(mol*s)'), n=4.34, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15895,7 +15762,7 @@ ) entry( - index = 1002, + index = 993, label = "C3H6 + C5H7-2 <=> C5H8-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00339,'cm^3/(mol*s)'), n=4.34, Ea=(82.4248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15908,7 +15775,7 @@ ) entry( - index = 1003, + index = 994, label = "C6H9 + C3H6 <=> C6H10 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0001521,'cm^3/(mol*s)'), n=4.34, Ea=(79.9144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15921,8 +15788,8 @@ ) entry( - index = 1004, - label = "C3H3-2 + C3H6 <=> C3H4 + C3H5", + index = 995, + label = "C3H3-3 + C3H6 <=> C3H4-3 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002217,'cm^3/(mol*s)'), n=4.34, Ea=(41.0032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15934,8 +15801,8 @@ ) entry( - index = 1005, - label = "C4H5-5 + C3H6 <=> C4H6 + C3H5", + index = 996, + label = "C4H5-6 + C3H6 <=> C4H6-6 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000729,'cm^3/(mol*s)'), n=4.34, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15947,8 +15814,8 @@ ) entry( - index = 1006, - label = "C5H7-3 + C3H6 <=> C5H8 + C3H5", + index = 997, + label = "C5H7-3 + C3H6 <=> C5H8-3 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002748,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15960,7 +15827,7 @@ ) entry( - index = 1007, + index = 998, label = "C5H3 + C3H6 <=> C5H4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001032,'cm^3/(mol*s)'), n=4.34, Ea=(58.1576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -15973,8 +15840,8 @@ ) entry( - index = 1008, - label = "C6H5-2 + C3H6 <=> C6H6-2 + C3H5", + index = 999, + label = "C6H5-3 + C3H6 <=> C6H6-3 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(4.17e-05,'cm^3/(mol*s)'), n=4.34, Ea=(58.1576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15986,8 +15853,8 @@ ) entry( - index = 1009, - label = "C3H6 + C7H7 <=> C7H8 + C3H5", + index = 1000, + label = "C3H6 + C7H7-5 <=> C7H8-5 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00402,'cm^3/(mol*s)'), n=4.34, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -15999,8 +15866,8 @@ ) entry( - index = 1010, - label = "C3H6 + C8H9 <=> C8H10 + C3H5", + index = 1001, + label = "C3H6 + C8H9-2 <=> C8H10-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001698,'cm^3/(mol*s)'), n=4.34, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16012,8 +15879,8 @@ ) entry( - index = 1011, - label = "C3H6 + C9H11 <=> C9H12 + C3H5", + index = 1002, + label = "C3H6 + C9H11-2 <=> C9H12-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(8.34e-05,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16025,7 +15892,7 @@ ) entry( - index = 1012, + index = 1003, label = "C2H3 + C3H6 <=> C2H4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00666,'cm^3/(mol*s)'), n=4.34, Ea=(0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16038,7 +15905,7 @@ ) entry( - index = 1013, + index = 1004, label = "C3H5-2 + C3H6 <=> C3H6-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00378,'cm^3/(mol*s)'), n=4.34, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16051,8 +15918,8 @@ ) entry( - index = 1014, - label = "C4H5-3 + C3H6 <=> C4H6-4 + C3H5", + index = 1005, + label = "C4H5-7 + C3H6 <=> C4H6-7 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00309,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16064,8 +15931,8 @@ ) entry( - index = 1015, - label = "C3H6 + C6H5 <=> C6H6 + C3H5", + index = 1006, + label = "C3H6 + C6H5-2 <=> C6H6-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00849,'cm^3/(mol*s)'), n=4.34, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16077,8 +15944,8 @@ ) entry( - index = 1016, - label = "C4H3 + C3H6 <=> C4H4 + C3H5", + index = 1007, + label = "C4H3-2 + C3H6 <=> C4H4-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000723,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16090,8 +15957,8 @@ ) entry( - index = 1017, - label = "CH3S-2 + C3H6 <=> CH3SH_r2 + C3H5", + index = 1008, + label = "CH3S-4 + C3H6 <=> CH4S-4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001956,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16103,7 +15970,7 @@ ) entry( - index = 1018, + index = 1009, label = "C2H5S + C3H6 <=> C2H6S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00549,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16116,7 +15983,7 @@ ) entry( - index = 1019, + index = 1010, label = "C3H7S + C3H6 <=> C3H8S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00318,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16129,7 +15996,7 @@ ) entry( - index = 1020, + index = 1011, label = "C3H6 + C2H3S-2 <=> C2H4S-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00312,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16142,8 +16009,8 @@ ) entry( - index = 1021, - label = "C3H3 + C3H6 <=> C3H4-1 + C3H5", + index = 1012, + label = "C3H3-4 + C3H6 <=> C3H4-4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00492,'cm^3/(mol*s)'), n=4.34, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16155,8 +16022,8 @@ ) entry( - index = 1022, - label = "C3H5S + C3H6 <=> C3H6S + C3H5", + index = 1013, + label = "C3H5S-3 + C3H6 <=> C3H6S-3 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00486,'cm^3/(mol*s)'), n=4.34, Ea=(68.6176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16168,7 +16035,7 @@ ) entry( - index = 1023, + index = 1014, label = "C4H7S + C3H6 <=> C4H8S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002241,'cm^3/(mol*s)'), n=4.34, Ea=(74.0568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16181,7 +16048,7 @@ ) entry( - index = 1024, + index = 1015, label = "C2H3S-3 + C3H6 <=> C2H4S-3 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002454,'cm^3/(mol*s)'), n=4.34, Ea=(-17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16194,7 +16061,7 @@ ) entry( - index = 1025, + index = 1016, label = "C3H3S + C3H6 <=> C3H4S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02664,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16207,8 +16074,8 @@ ) entry( - index = 1026, - label = "C3H5S-2 + C3H6 <=> C3H6S-2 + C3H5", + index = 1017, + label = "C3H5S-4 + C3H6 <=> C3H6S-4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00819,'cm^3/(mol*s)'), n=4.34, Ea=(60.2496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16220,7 +16087,7 @@ ) entry( - index = 1027, + index = 1018, label = "C4H7S-2 + C3H6 <=> C4H8S-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001053,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16233,7 +16100,7 @@ ) entry( - index = 1028, + index = 1019, label = "C2H3S2 + C3H6 <=> C2H4S2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0384,'cm^3/(mol*s)'), n=4.34, Ea=(89.5376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16246,7 +16113,7 @@ ) entry( - index = 1029, + index = 1020, label = "C3H5S2 + C3H6 <=> C3H6S2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0102,'cm^3/(mol*s)'), n=4.34, Ea=(90.3744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16259,7 +16126,7 @@ ) entry( - index = 1030, + index = 1021, label = "C3H3S-2 + C3H6 <=> C3H4S-2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00417,'cm^3/(mol*s)'), n=4.34, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16272,7 +16139,7 @@ ) entry( - index = 1031, + index = 1022, label = "C4H5S + C3H6 <=> C4H6S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001638,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16285,7 +16152,7 @@ ) entry( - index = 1032, + index = 1023, label = "C7H7S + C3H6 <=> C7H8S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001965,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16298,7 +16165,7 @@ ) entry( - index = 1033, + index = 1024, label = "C8H9S + C3H6 <=> C8H10S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000708,'cm^3/(mol*s)'), n=4.34, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16311,7 +16178,7 @@ ) entry( - index = 1034, + index = 1025, label = "CHS + C3H6 <=> CH2S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02295,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16324,8 +16191,8 @@ ) entry( - index = 1035, - label = "C3H6 + C2H3S <=> C2H4S + C3H5", + index = 1026, + label = "C3H6 + C2H3S-4 <=> C2H4S-4 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01464,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16337,7 +16204,7 @@ ) entry( - index = 1036, + index = 1027, label = "CHS2 + C3H6 <=> CH2S2 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02166,'cm^3/(mol*s)'), n=4.34, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16350,7 +16217,7 @@ ) entry( - index = 1037, + index = 1028, label = "C3H6 + C3H3S-3 <=> C3H4S-3 + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00963,'cm^3/(mol*s)'), n=4.34, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16363,7 +16230,7 @@ ) entry( - index = 1038, + index = 1029, label = "C3HS + C3H6 <=> C3H2S + C3H5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02691,'cm^3/(mol*s)'), n=4.34, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -16376,8 +16243,8 @@ ) entry( - index = 1039, - label = "C4H8-4 + C2H5 <=> C2H6 + C4H7-4", + index = 1030, + label = "C4H8-5 + C2H5-2 <=> C2H6-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001806,'cm^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16389,8 +16256,8 @@ ) entry( - index = 1040, - label = "C4H8-4 + C3H7 <=> C3H8 + C4H7-4", + index = 1031, + label = "C4H8-5 + C3H7-2 <=> C3H8-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001706,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16402,8 +16269,8 @@ ) entry( - index = 1041, - label = "C4H8-4 + C4H9-4 <=> iC4H10b + C4H7-4", + index = 1032, + label = "C4H8-5 + C4H9-5 <=> C4H10-5 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001402,'cm^3/(mol*s)'), n=4.34, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16415,8 +16282,8 @@ ) entry( - index = 1042, - label = "C3H5 + C4H8-4 <=> C3H6 + C4H7-4", + index = 1033, + label = "C3H5-3 + C4H8-5 <=> C3H6-3 + C4H7-5", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01808,'cm^3/(mol*s)'), n=4.34, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16428,8 +16295,8 @@ ) entry( - index = 1043, - label = "C5H9-5 + C4H8-4 <=> C5H10-3 + C4H7-4", + index = 1034, + label = "C5H9-6 + C4H8-5 <=> C5H10-6 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000582,'cm^3/(mol*s)'), n=4.34, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16441,8 +16308,8 @@ ) entry( - index = 1044, - label = "C5H7-2 + C4H8-4 <=> C5H8-2 + C4H7-4", + index = 1035, + label = "C5H7-2 + C4H8-5 <=> C5H8-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0058,'cm^3/(mol*s)'), n=4.34, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16454,8 +16321,8 @@ ) entry( - index = 1045, - label = "C6H9 + C4H8-4 <=> C6H10 + C4H7-4", + index = 1036, + label = "C6H9 + C4H8-5 <=> C6H10 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000212,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16467,8 +16334,8 @@ ) entry( - index = 1046, - label = "C3H3-2 + C4H8-4 <=> C3H4 + C4H7-4", + index = 1037, + label = "C3H3-3 + C4H8-5 <=> C3H4-3 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00462,'cm^3/(mol*s)'), n=4.34, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16480,8 +16347,8 @@ ) entry( - index = 1047, - label = "C4H5-5 + C4H8-4 <=> C4H6 + C4H7-4", + index = 1038, + label = "C4H5-6 + C4H8-5 <=> C4H6-6 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001242,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16493,8 +16360,8 @@ ) entry( - index = 1048, - label = "C5H7-3 + C4H8-4 <=> C5H8 + C4H7-4", + index = 1039, + label = "C5H7-3 + C4H8-5 <=> C5H8-3 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000382,'cm^3/(mol*s)'), n=4.34, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16506,8 +16373,8 @@ ) entry( - index = 1049, - label = "C5H3 + C4H8-4 <=> C5H4 + C4H7-4", + index = 1040, + label = "C5H3 + C4H8-5 <=> C5H4 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001762,'cm^3/(mol*s)'), n=4.34, Ea=(43.932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16519,8 +16386,8 @@ ) entry( - index = 1050, - label = "C6H5-2 + C4H8-4 <=> C6H6-2 + C4H7-4", + index = 1041, + label = "C6H5-3 + C4H8-5 <=> C6H6-3 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(5.8e-05,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16532,8 +16399,8 @@ ) entry( - index = 1051, - label = "C4H8-4 + C7H7 <=> C7H8 + C4H7-4", + index = 1042, + label = "C4H8-5 + C7H7-5 <=> C7H8-5 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00838,'cm^3/(mol*s)'), n=4.34, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16545,8 +16412,8 @@ ) entry( - index = 1052, - label = "C4H8-4 + C8H9 <=> C8H10 + C4H7-4", + index = 1043, + label = "C4H8-5 + C8H9-2 <=> C8H10-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00288,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16558,8 +16425,8 @@ ) entry( - index = 1053, - label = "C4H8-4 + C9H11 <=> C9H12 + C4H7-4", + index = 1044, + label = "C4H8-5 + C9H11-2 <=> C9H12-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000116,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16571,8 +16438,8 @@ ) entry( - index = 1054, - label = "C2H3 + C4H8-4 <=> C2H4 + C4H7-4", + index = 1045, + label = "C2H3 + C4H8-5 <=> C2H4 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01692,'cm^3/(mol*s)'), n=4.34, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16584,8 +16451,8 @@ ) entry( - index = 1055, - label = "C3H5-2 + C4H8-4 <=> C3H6-2 + C4H7-4", + index = 1046, + label = "C3H5-2 + C4H8-5 <=> C3H6-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00782,'cm^3/(mol*s)'), n=4.34, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16597,8 +16464,8 @@ ) entry( - index = 1056, - label = "C4H5-3 + C4H8-4 <=> C4H6-4 + C4H7-4", + index = 1047, + label = "C4H5-7 + C4H8-5 <=> C4H6-7 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00782,'cm^3/(mol*s)'), n=4.34, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16610,8 +16477,8 @@ ) entry( - index = 1057, - label = "C4H8-4 + C6H5 <=> C6H6 + C4H7-4", + index = 1048, + label = "C4H8-5 + C6H5-2 <=> C6H6-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0216,'cm^3/(mol*s)'), n=4.34, Ea=(-16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16623,8 +16490,8 @@ ) entry( - index = 1058, - label = "C4H3 + C4H8-4 <=> C4H4 + C4H7-4", + index = 1049, + label = "C4H3-2 + C4H8-5 <=> C4H4-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001834,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16636,8 +16503,8 @@ ) entry( - index = 1059, - label = "CH3S-2 + C4H8-4 <=> CH3SH_r2 + C4H7-4", + index = 1050, + label = "CH3S-4 + C4H8-5 <=> CH4S-4 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00478,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16649,8 +16516,8 @@ ) entry( - index = 1060, - label = "C2H5S + C4H8-4 <=> C2H6S + C4H7-4", + index = 1051, + label = "C2H5S + C4H8-5 <=> C2H6S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01096,'cm^3/(mol*s)'), n=4.34, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16662,8 +16529,8 @@ ) entry( - index = 1061, - label = "C3H7S + C4H8-4 <=> C3H8S + C4H7-4", + index = 1052, + label = "C3H7S + C4H8-5 <=> C3H8S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0052,'cm^3/(mol*s)'), n=4.34, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16675,8 +16542,8 @@ ) entry( - index = 1062, - label = "C2H3S-2 + C4H8-4 <=> C2H4S-2 + C4H7-4", + index = 1053, + label = "C2H3S-2 + C4H8-5 <=> C2H4S-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00542,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16688,8 +16555,8 @@ ) entry( - index = 1063, - label = "C3H5S + C4H8-4 <=> C3H6S + C4H7-4", + index = 1054, + label = "C3H5S-3 + C4H8-5 <=> C3H6S-3 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00688,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16701,8 +16568,8 @@ ) entry( - index = 1064, - label = "C3H3 + C4H8-4 <=> C3H4-1 + C4H7-4", + index = 1055, + label = "C3H3-4 + C4H8-5 <=> C3H4-4 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01024,'cm^3/(mol*s)'), n=4.34, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16714,8 +16581,8 @@ ) entry( - index = 1065, - label = "C4H8-4 + C4H7S <=> C4H8S + C4H7-4", + index = 1056, + label = "C4H8-5 + C4H7S <=> C4H8S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0026,'cm^3/(mol*s)'), n=4.34, Ea=(60.2496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16727,8 +16594,8 @@ ) entry( - index = 1066, - label = "C2H3S-3 + C4H8-4 <=> C2H4S-3 + C4H7-4", + index = 1057, + label = "C2H3S-3 + C4H8-5 <=> C2H4S-3 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00426,'cm^3/(mol*s)'), n=4.34, Ea=(-30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16740,8 +16607,8 @@ ) entry( - index = 1067, - label = "C3H3S + C4H8-4 <=> C3H4S + C4H7-4", + index = 1058, + label = "C3H3S + C4H8-5 <=> C3H4S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0676,'cm^3/(mol*s)'), n=4.34, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16753,8 +16620,8 @@ ) entry( - index = 1068, - label = "C3H5S-2 + C4H8-4 <=> C3H6S-2 + C4H7-4", + index = 1059, + label = "C3H5S-4 + C4H8-5 <=> C3H6S-4 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01646,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16766,8 +16633,8 @@ ) entry( - index = 1069, - label = "C4H7S-2 + C4H8-4 <=> C4H8S-2 + C4H7-4", + index = 1060, + label = "C4H7S-2 + C4H8-5 <=> C4H8S-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00173,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16779,8 +16646,8 @@ ) entry( - index = 1070, - label = "C2H3S2 + C4H8-4 <=> C2H4S2 + C4H7-4", + index = 1061, + label = "C2H3S2 + C4H8-5 <=> C2H4S2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0642,'cm^3/(mol*s)'), n=4.34, Ea=(74.0568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16792,8 +16659,8 @@ ) entry( - index = 1071, - label = "C3H5S2 + C4H8-4 <=> C3H6S2 + C4H7-4", + index = 1062, + label = "C3H5S2 + C4H8-5 <=> C3H6S2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01394,'cm^3/(mol*s)'), n=4.34, Ea=(74.4752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16805,8 +16672,8 @@ ) entry( - index = 1072, - label = "C3H3S-2 + C4H8-4 <=> C3H4S-2 + C4H7-4", + index = 1063, + label = "C3H3S-2 + C4H8-5 <=> C3H4S-2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00836,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16818,8 +16685,8 @@ ) entry( - index = 1073, - label = "C4H5S + C4H8-4 <=> C4H6S + C4H7-4", + index = 1064, + label = "C4H5S + C4H8-5 <=> C4H6S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00268,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16831,8 +16698,8 @@ ) entry( - index = 1074, - label = "C7H7S + C4H8-4 <=> C7H8S + C4H7-4", + index = 1065, + label = "C7H7S + C4H8-5 <=> C7H8S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00394,'cm^3/(mol*s)'), n=4.34, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16844,8 +16711,8 @@ ) entry( - index = 1075, - label = "C8H9S + C4H8-4 <=> C8H10S + C4H7-4", + index = 1066, + label = "C8H9S + C4H8-5 <=> C8H10S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001164,'cm^3/(mol*s)'), n=4.34, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16857,8 +16724,8 @@ ) entry( - index = 1076, - label = "CHS + C4H8-4 <=> CH2S + C4H7-4", + index = 1067, + label = "CHS + C4H8-5 <=> CH2S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0584,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16870,8 +16737,8 @@ ) entry( - index = 1077, - label = "C4H8-4 + C2H3S <=> C2H4S + C4H7-4", + index = 1068, + label = "C4H8-5 + C2H3S-4 <=> C2H4S-4 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0304,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16883,8 +16750,8 @@ ) entry( - index = 1078, - label = "CHS2 + C4H8-4 <=> CH2S2 + C4H7-4", + index = 1069, + label = "CHS2 + C4H8-5 <=> CH2S2 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.053,'cm^3/(mol*s)'), n=4.34, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16896,8 +16763,8 @@ ) entry( - index = 1079, - label = "C3H3S-3 + C4H8-4 <=> C3H4S-3 + C4H7-4", + index = 1070, + label = "C3H3S-3 + C4H8-5 <=> C3H4S-3 + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0244,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16909,8 +16776,8 @@ ) entry( - index = 1080, - label = "C3HS + C4H8-4 <=> C3H2S + C4H7-4", + index = 1071, + label = "C3HS + C4H8-5 <=> C3H2S + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0684,'cm^3/(mol*s)'), n=4.34, Ea=(69.4544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16922,8 +16789,8 @@ ) entry( - index = 1081, - label = "H + C5H10-3 <=> H2 + C5H9-5", + index = 1072, + label = "H + C5H10-3 <=> H2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.248,'cm^3/(mol*s)'), n=4.34, Ea=(0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16935,8 +16802,8 @@ ) entry( - index = 1082, - label = "CH3_r3 + C5H10-3 <=> CH4b + C5H9-5", + index = 1073, + label = "CH3-2 + C5H10-3 <=> CH4-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00587,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16948,8 +16815,8 @@ ) entry( - index = 1083, - label = "C5H10-3 + C2H5 <=> C2H6 + C5H9-5", + index = 1074, + label = "C5H10-3 + C2H5-2 <=> C2H6-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000552,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16961,8 +16828,8 @@ ) entry( - index = 1084, - label = "C5H10-3 + C3H7 <=> C3H8 + C5H9-5", + index = 1075, + label = "C5H10-3 + C3H7-2 <=> C3H8-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000426,'cm^3/(mol*s)'), n=4.34, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16974,8 +16841,8 @@ ) entry( - index = 1085, - label = "C5H10-3 + C4H9-4 <=> iC4H10b + C5H9-5", + index = 1076, + label = "C5H10-3 + C4H9-5 <=> C4H10-5 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000286,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -16987,8 +16854,8 @@ ) entry( - index = 1086, - label = "C5H10-3 + C3H5 <=> C3H6 + C5H9-5", + index = 1077, + label = "C5H10-3 + C3H5-3 <=> C3H6-3 + C5H9-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00556,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17000,8 +16867,8 @@ ) entry( - index = 1087, - label = "C5H10-3 + C4H7-4 <=> C4H8-4 + C5H9-5", + index = 1078, + label = "C5H10-3 + C4H7-10 <=> C4H8-10 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00115,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17013,8 +16880,8 @@ ) entry( - index = 1088, - label = "C5H7-2 + C5H10-3 <=> C5H8-2 + C5H9-5", + index = 1079, + label = "C5H7-2 + C5H10-3 <=> C5H8-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00146,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17026,8 +16893,8 @@ ) entry( - index = 1089, - label = "C6H9 + C5H10-3 <=> C6H10 + C5H9-5", + index = 1080, + label = "C6H9 + C5H10-3 <=> C6H10 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(4.37e-05,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17039,8 +16906,8 @@ ) entry( - index = 1090, - label = "C3H3-2 + C5H10-3 <=> C3H4 + C5H9-5", + index = 1081, + label = "C3H3-3 + C5H10-3 <=> C3H4-3 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00142,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17052,8 +16919,8 @@ ) entry( - index = 1091, - label = "C4H5-5 + C5H10-3 <=> C4H6 + C5H9-5", + index = 1082, + label = "C4H5-6 + C5H10-3 <=> C4H6-6 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000311,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17065,8 +16932,8 @@ ) entry( - index = 1092, - label = "C5H7-3 + C5H10-3 <=> C5H8 + C5H9-5", + index = 1083, + label = "C5H7-3 + C5H10-3 <=> C5H8-3 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(7.82e-05,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17078,8 +16945,8 @@ ) entry( - index = 1093, - label = "C5H3 + C5H10-3 <=> C5H4 + C5H9-5", + index = 1084, + label = "C5H3 + C5H10-3 <=> C5H4 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000444,'cm^3/(mol*s)'), n=4.34, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17091,8 +16958,8 @@ ) entry( - index = 1094, - label = "C6H5-2 + C5H10-3 <=> C6H6-2 + C5H9-5", + index = 1085, + label = "C6H5-3 + C5H10-3 <=> C6H6-3 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(1.19e-05,'cm^3/(mol*s)'), n=4.34, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17104,8 +16971,8 @@ ) entry( - index = 1095, - label = "C5H10-3 + C7H7 <=> C7H8 + C5H9-5", + index = 1086, + label = "C5H10-3 + C7H7-5 <=> C7H8-5 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00258,'cm^3/(mol*s)'), n=4.34, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17117,8 +16984,8 @@ ) entry( - index = 1096, - label = "C5H10-3 + C8H9 <=> C8H10 + C5H9-5", + index = 1087, + label = "C5H10-3 + C8H9-2 <=> C8H10-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000724,'cm^3/(mol*s)'), n=4.34, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17130,8 +16997,8 @@ ) entry( - index = 1097, - label = "C5H10-3 + C9H11 <=> C9H12 + C5H9-5", + index = 1088, + label = "C5H10-3 + C9H11-2 <=> C9H12-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.37e-05,'cm^3/(mol*s)'), n=4.34, Ea=(18.4096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17143,8 +17010,8 @@ ) entry( - index = 1098, - label = "C2H3 + C5H10-3 <=> C2H4 + C5H9-5", + index = 1089, + label = "C2H3 + C5H10-3 <=> C2H4 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00633,'cm^3/(mol*s)'), n=4.34, Ea=(-10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17156,8 +17023,8 @@ ) entry( - index = 1099, - label = "C3H5-2 + C5H10-3 <=> C3H6-2 + C5H9-5", + index = 1090, + label = "C3H5-2 + C5H10-3 <=> C3H6-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00239,'cm^3/(mol*s)'), n=4.34, Ea=(-12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17169,8 +17036,8 @@ ) entry( - index = 1100, - label = "C4H5-3 + C5H10-3 <=> C4H6-4 + C5H9-5", + index = 1091, + label = "C4H5-7 + C5H10-3 <=> C4H6-7 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00292,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17182,8 +17049,8 @@ ) entry( - index = 1101, - label = "C5H10-3 + C6H5 <=> C6H6 + C5H9-5", + index = 1092, + label = "C5H10-3 + C6H5-2 <=> C6H6-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00806,'cm^3/(mol*s)'), n=4.34, Ea=(-21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17195,8 +17062,8 @@ ) entry( - index = 1102, - label = "C3H3 + C5H10-3 <=> C3H4-1 + C5H9-5", + index = 1093, + label = "C3H3-4 + C5H10-3 <=> C3H4-4 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00314,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17208,8 +17075,8 @@ ) entry( - index = 1103, - label = "CH3S-2 + C5H10-3 <=> CH3SH_r2 + C5H9-5", + index = 1094, + label = "CH3S-4 + C5H10-3 <=> CH4S-4 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00173,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17221,8 +17088,8 @@ ) entry( - index = 1104, - label = "C2H5S + C5H10-3 <=> C2H6S + C5H9-5", + index = 1095, + label = "C2H5S + C5H10-3 <=> C2H6S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00323,'cm^3/(mol*s)'), n=4.34, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17234,8 +17101,8 @@ ) entry( - index = 1105, - label = "C3H7S + C5H10-3 <=> C3H8S + C5H9-5", + index = 1096, + label = "C3H7S + C5H10-3 <=> C3H8S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00125,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17247,8 +17114,8 @@ ) entry( - index = 1106, - label = "C2H3S-2 + C5H10-3 <=> C2H4S-2 + C5H9-5", + index = 1097, + label = "C2H3S-2 + C5H10-3 <=> C2H4S-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00139,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17260,8 +17127,8 @@ ) entry( - index = 1107, - label = "C3H5S + C5H10-3 <=> C3H6S + C5H9-5", + index = 1098, + label = "C3H5S-3 + C5H10-3 <=> C3H6S-3 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00144,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17273,8 +17140,8 @@ ) entry( - index = 1108, - label = "C5H10-3 + C4H7S <=> C4H8S + C5H9-5", + index = 1099, + label = "C5H10-3 + C4H7S <=> C4H8S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000443,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17286,8 +17153,8 @@ ) entry( - index = 1109, - label = "C2H3S-3 + C5H10-3 <=> C2H4S-3 + C5H9-5", + index = 1100, + label = "C2H3S-3 + C5H10-3 <=> C2H4S-3 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00109,'cm^3/(mol*s)'), n=4.34, Ea=(-41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17299,8 +17166,8 @@ ) entry( - index = 1110, - label = "C4H3 + C5H10-3 <=> C4H4 + C5H9-5", + index = 1101, + label = "C4H3-2 + C5H10-3 <=> C4H4-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000686,'cm^3/(mol*s)'), n=4.34, Ea=(10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17312,8 +17179,8 @@ ) entry( - index = 1111, - label = "C3H3S + C5H10-3 <=> C3H4S + C5H9-5", + index = 1102, + label = "C3H3S + C5H10-3 <=> C3H4S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0253,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17325,8 +17192,8 @@ ) entry( - index = 1112, - label = "C3H5S-2 + C5H10-3 <=> C3H6S-2 + C5H9-5", + index = 1103, + label = "C3H5S-4 + C5H10-3 <=> C3H6S-4 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00487,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17338,8 +17205,8 @@ ) entry( - index = 1113, - label = "C4H7S-2 + C5H10-3 <=> C4H8S-2 + C5H9-5", + index = 1104, + label = "C4H7S-2 + C5H10-3 <=> C4H8S-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000418,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17351,8 +17218,8 @@ ) entry( - index = 1114, - label = "C2H3S2 + C5H10-3 <=> C2H4S2 + C5H9-5", + index = 1105, + label = "C2H3S2 + C5H10-3 <=> C2H4S2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0158,'cm^3/(mol*s)'), n=4.34, Ea=(69.2034,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17364,8 +17231,8 @@ ) entry( - index = 1115, - label = "C3H5S2 + C5H10-3 <=> C3H6S2 + C5H9-5", + index = 1106, + label = "C3H5S2 + C5H10-3 <=> C3H6S2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00281,'cm^3/(mol*s)'), n=4.34, Ea=(67.9482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17377,8 +17244,8 @@ ) entry( - index = 1116, - label = "C3H3S-2 + C5H10-3 <=> C3H4S-2 + C5H9-5", + index = 1107, + label = "C3H3S-2 + C5H10-3 <=> C3H4S-2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00247,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17390,8 +17257,8 @@ ) entry( - index = 1117, - label = "C4H5S + C5H10-3 <=> C4H6S + C5H9-5", + index = 1108, + label = "C4H5S + C5H10-3 <=> C4H6S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000649,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17403,8 +17270,8 @@ ) entry( - index = 1118, - label = "C7H7S + C5H10-3 <=> C7H8S + C5H9-5", + index = 1109, + label = "C7H7S + C5H10-3 <=> C7H8S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00117,'cm^3/(mol*s)'), n=4.34, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17416,8 +17283,8 @@ ) entry( - index = 1119, - label = "C8H9S + C5H10-3 <=> C8H10S + C5H9-5", + index = 1110, + label = "C8H9S + C5H10-3 <=> C8H10S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000281,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17429,8 +17296,8 @@ ) entry( - index = 1120, - label = "CHS + C5H10-3 <=> CH2S + C5H9-5", + index = 1111, + label = "CHS + C5H10-3 <=> CH2S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0218,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17442,8 +17309,8 @@ ) entry( - index = 1121, - label = "C5H10-3 + C2H3S <=> C2H4S + C5H9-5", + index = 1112, + label = "C5H10-3 + C2H3S-4 <=> C2H4S-4 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00929,'cm^3/(mol*s)'), n=4.34, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17455,8 +17322,8 @@ ) entry( - index = 1122, - label = "CHS2 + C5H10-3 <=> CH2S2 + C5H9-5", + index = 1113, + label = "CHS2 + C5H10-3 <=> CH2S2 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0191,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17468,8 +17335,8 @@ ) entry( - index = 1123, - label = "C3H3S-3 + C5H10-3 <=> C3H4S-3 + C5H9-5", + index = 1114, + label = "C3H3S-3 + C5H10-3 <=> C3H4S-3 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00914,'cm^3/(mol*s)'), n=4.34, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17481,8 +17348,8 @@ ) entry( - index = 1124, - label = "C3HS + C5H10-3 <=> C3H2S + C5H9-5", + index = 1115, + label = "C3HS + C5H10-3 <=> C3H2S + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0256,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17494,8 +17361,8 @@ ) entry( - index = 1125, - label = "H + C5H8-2 <=> H2 + C5H7-2", + index = 1116, + label = "H + C5H8-4 <=> H2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.894,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17507,8 +17374,8 @@ ) entry( - index = 1126, - label = "CH3_r3 + C5H8-2 <=> CH4b + C5H7-2", + index = 1117, + label = "CH3-2 + C5H8-4 <=> CH4-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0212,'cm^3/(mol*s)'), n=4.34, Ea=(7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17520,8 +17387,8 @@ ) entry( - index = 1127, - label = "C5H8-2 + C2H5 <=> C2H6 + C5H7-2", + index = 1118, + label = "C5H8-4 + C2H5-2 <=> C2H6-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00244,'cm^3/(mol*s)'), n=4.34, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17533,8 +17400,8 @@ ) entry( - index = 1128, - label = "C5H8-2 + C3H7 <=> C3H8 + C5H7-2", + index = 1119, + label = "C5H8-4 + C3H7-2 <=> C3H8-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00232,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17546,8 +17413,8 @@ ) entry( - index = 1129, - label = "C5H8-2 + C4H9-4 <=> iC4H10b + C5H7-2", + index = 1120, + label = "C5H8-4 + C4H9-5 <=> C4H10-5 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001916,'cm^3/(mol*s)'), n=4.34, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17559,8 +17426,8 @@ ) entry( - index = 1130, - label = "C3H5 + C5H8-2 <=> C3H6 + C5H7-2", + index = 1121, + label = "C3H5-3 + C5H8-4 <=> C3H6-3 + C5H7-4", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00772,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17572,8 +17439,8 @@ ) entry( - index = 1131, - label = "C5H8-2 + C4H7-4 <=> C4H8-4 + C5H7-2", + index = 1122, + label = "C5H8-4 + C4H7-10 <=> C4H8-10 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001962,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17585,8 +17452,8 @@ ) entry( - index = 1132, - label = "C5H8-2 + C5H9-5 <=> C5H10-3 + C5H7-2", + index = 1123, + label = "C5H8-4 + C5H9-6 <=> C5H10-6 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00025,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17598,8 +17465,8 @@ ) entry( - index = 1133, - label = "C5H8-2 + C6H9 <=> C6H10 + C5H7-2", + index = 1124, + label = "C5H8-4 + C6H9 <=> C6H10 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(2.88e-05,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17611,8 +17478,8 @@ ) entry( - index = 1134, - label = "C3H3-2 + C5H8-2 <=> C3H4 + C5H7-2", + index = 1125, + label = "C3H3-3 + C5H8-4 <=> C3H4-3 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001968,'cm^3/(mol*s)'), n=4.34, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17624,8 +17491,8 @@ ) entry( - index = 1135, - label = "C4H5-5 + C5H8-2 <=> C4H6 + C5H7-2", + index = 1126, + label = "C4H5-6 + C5H8-4 <=> C4H6-6 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000532,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17637,8 +17504,8 @@ ) entry( - index = 1136, - label = "C5H7-3 + C5H8-2 <=> C5H8 + C5H7-2", + index = 1127, + label = "C5H7-3 + C5H8-4 <=> C5H8-3 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001644,'cm^3/(mol*s)'), n=4.34, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17650,8 +17517,8 @@ ) entry( - index = 1137, - label = "C5H3 + C5H8-2 <=> C5H4 + C5H7-2", + index = 1128, + label = "C5H3 + C5H8-4 <=> C5H4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000238,'cm^3/(mol*s)'), n=4.34, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17663,8 +17530,8 @@ ) entry( - index = 1138, - label = "C6H5-2 + C5H8-2 <=> C6H6-2 + C5H7-2", + index = 1129, + label = "C6H5-3 + C5H8-4 <=> C6H6-3 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(7.86e-06,'cm^3/(mol*s)'), n=4.34, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17676,8 +17543,8 @@ ) entry( - index = 1139, - label = "C5H8-2 + C7H7 <=> C7H8 + C5H7-2", + index = 1130, + label = "C5H8-4 + C7H7-5 <=> C7H8-5 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00358,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17689,8 +17556,8 @@ ) entry( - index = 1140, - label = "C5H8-2 + C8H9 <=> C8H10 + C5H7-2", + index = 1131, + label = "C5H8-4 + C8H9-2 <=> C8H10-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001238,'cm^3/(mol*s)'), n=4.34, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17702,8 +17569,8 @@ ) entry( - index = 1141, - label = "C5H8-2 + C9H11 <=> C9H12 + C5H7-2", + index = 1132, + label = "C5H8-4 + C9H11-2 <=> C9H12-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(4.98e-05,'cm^3/(mol*s)'), n=4.34, Ea=(2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17715,8 +17582,8 @@ ) entry( - index = 1142, - label = "C2H3 + C5H8-2 <=> C2H4 + C5H7-2", + index = 1133, + label = "C2H3 + C5H8-4 <=> C2H4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0228,'cm^3/(mol*s)'), n=4.34, Ea=(-11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17728,8 +17595,8 @@ ) entry( - index = 1143, - label = "C3H5-2 + C5H8-2 <=> C3H6-2 + C5H7-2", + index = 1134, + label = "C3H5-2 + C5H8-4 <=> C3H6-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0106,'cm^3/(mol*s)'), n=4.34, Ea=(-17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17741,8 +17608,8 @@ ) entry( - index = 1144, - label = "C4H5-3 + C5H8-2 <=> C4H6-4 + C5H7-2", + index = 1135, + label = "C4H5-7 + C5H8-4 <=> C4H6-7 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01054,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17754,8 +17621,8 @@ ) entry( - index = 1145, - label = "C5H8-2 + C6H5 <=> C6H6 + C5H7-2", + index = 1136, + label = "C5H8-4 + C6H5-2 <=> C6H6-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.029,'cm^3/(mol*s)'), n=4.34, Ea=(-23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17767,8 +17634,8 @@ ) entry( - index = 1146, - label = "C4H3 + C5H8-2 <=> C4H4 + C5H7-2", + index = 1137, + label = "C4H3-2 + C5H8-4 <=> C4H4-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00248,'cm^3/(mol*s)'), n=4.34, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17780,8 +17647,8 @@ ) entry( - index = 1147, - label = "CH3S-2 + C5H8-2 <=> CH3SH_r2 + C5H7-2", + index = 1138, + label = "CH3S-4 + C5H8-4 <=> CH4S-4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0053,'cm^3/(mol*s)'), n=4.34, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17793,8 +17660,8 @@ ) entry( - index = 1148, - label = "C2H5S + C5H8-2 <=> C2H6S + C5H7-2", + index = 1139, + label = "C2H5S + C5H8-4 <=> C2H6S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01218,'cm^3/(mol*s)'), n=4.34, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17806,8 +17673,8 @@ ) entry( - index = 1149, - label = "C3H7S + C5H8-2 <=> C3H8S + C5H7-2", + index = 1140, + label = "C3H7S + C5H8-4 <=> C3H8S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0058,'cm^3/(mol*s)'), n=4.34, Ea=(-12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17819,8 +17686,8 @@ ) entry( - index = 1150, - label = "C5H8-2 + C2H3S-2 <=> C2H4S-2 + C5H7-2", + index = 1141, + label = "C5H8-4 + C2H3S-2 <=> C2H4S-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00165,'cm^3/(mol*s)'), n=4.34, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17832,8 +17699,8 @@ ) entry( - index = 1151, - label = "C3H5S + C5H8-2 <=> C3H6S + C5H7-2", + index = 1142, + label = "C3H5S-3 + C5H8-4 <=> C3H6S-3 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0021,'cm^3/(mol*s)'), n=4.34, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17845,8 +17712,8 @@ ) entry( - index = 1152, - label = "C5H8-2 + C4H7S <=> C4H8S + C5H7-2", + index = 1143, + label = "C5H8-4 + C4H7S <=> C4H8S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000798,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17858,8 +17725,8 @@ ) entry( - index = 1153, - label = "C2H3S-3 + C5H8-2 <=> C2H4S-3 + C5H7-2", + index = 1144, + label = "C2H3S-3 + C5H8-4 <=> C2H4S-3 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001298,'cm^3/(mol*s)'), n=4.34, Ea=(-56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17871,8 +17738,8 @@ ) entry( - index = 1154, - label = "C3H3 + C5H8-2 <=> C3H4-1 + C5H7-2", + index = 1145, + label = "C3H3-4 + C5H8-4 <=> C3H4-4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00436,'cm^3/(mol*s)'), n=4.34, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17884,8 +17751,8 @@ ) entry( - index = 1155, - label = "C3H3S + C5H8-2 <=> C3H4S + C5H7-2", + index = 1146, + label = "C3H3S + C5H8-4 <=> C3H4S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0912,'cm^3/(mol*s)'), n=4.34, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17897,8 +17764,8 @@ ) entry( - index = 1156, - label = "C3H5S-2 + C5H8-2 <=> C3H6S-2 + C5H7-2", + index = 1147, + label = "C3H5S-4 + C5H8-4 <=> C3H6S-4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00576,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17910,8 +17777,8 @@ ) entry( - index = 1157, - label = "C4H7S-2 + C5H8-2 <=> C4H8S-2 + C5H7-2", + index = 1148, + label = "C4H7S-2 + C5H8-4 <=> C4H8S-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000608,'cm^3/(mol*s)'), n=4.34, Ea=(10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17923,8 +17790,8 @@ ) entry( - index = 1158, - label = "C2H3S2 + C5H8-2 <=> C2H4S2 + C5H7-2", + index = 1149, + label = "C2H3S2 + C5H8-4 <=> C2H4S2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01606,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17936,8 +17803,8 @@ ) entry( - index = 1159, - label = "C3H5S2 + C5H8-2 <=> C3H6S2 + C5H7-2", + index = 1150, + label = "C3H5S2 + C5H8-4 <=> C3H6S2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0035,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17949,8 +17816,8 @@ ) entry( - index = 1160, - label = "C3H3S-2 + C5H8-2 <=> C3H4S-2 + C5H7-2", + index = 1151, + label = "C3H3S-2 + C5H8-4 <=> C3H4S-2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00292,'cm^3/(mol*s)'), n=4.34, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17962,8 +17829,8 @@ ) entry( - index = 1161, - label = "C4H5S + C5H8-2 <=> C4H6S + C5H7-2", + index = 1152, + label = "C4H5S + C5H8-4 <=> C4H6S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000944,'cm^3/(mol*s)'), n=4.34, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17975,8 +17842,8 @@ ) entry( - index = 1162, - label = "C7H7S + C5H8-2 <=> C7H8S + C5H7-2", + index = 1153, + label = "C7H7S + C5H8-4 <=> C7H8S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00138,'cm^3/(mol*s)'), n=4.34, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -17988,8 +17855,8 @@ ) entry( - index = 1163, - label = "C8H9S + C5H8-2 <=> C8H10S + C5H7-2", + index = 1154, + label = "C8H9S + C5H8-4 <=> C8H10S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00041,'cm^3/(mol*s)'), n=4.34, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18001,8 +17868,8 @@ ) entry( - index = 1164, - label = "CHS + C5H8-2 <=> CH2S + C5H7-2", + index = 1155, + label = "CHS + C5H8-4 <=> CH2S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0786,'cm^3/(mol*s)'), n=4.34, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18014,8 +17881,8 @@ ) entry( - index = 1165, - label = "C5H8-2 + C2H3S <=> C2H4S + C5H7-2", + index = 1156, + label = "C5H8-4 + C2H3S-4 <=> C2H4S-4 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0412,'cm^3/(mol*s)'), n=4.34, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18027,8 +17894,8 @@ ) entry( - index = 1166, - label = "CHS2 + C5H8-2 <=> CH2S2 + C5H7-2", + index = 1157, + label = "CHS2 + C5H8-4 <=> CH2S2 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0586,'cm^3/(mol*s)'), n=4.34, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18040,8 +17907,8 @@ ) entry( - index = 1167, - label = "C3H3S-3 + C5H8-2 <=> C3H4S-3 + C5H7-2", + index = 1158, + label = "C3H3S-3 + C5H8-4 <=> C3H4S-3 + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.033,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18053,8 +17920,8 @@ ) entry( - index = 1168, - label = "C3HS + C5H8-2 <=> C3H2S + C5H7-2", + index = 1159, + label = "C3HS + C5H8-4 <=> C3H2S + C5H7-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0922,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18066,8 +17933,8 @@ ) entry( - index = 1169, - label = "H + C6H10 <=> H2 + C6H9", + index = 1160, + label = "H + C6H10-2 <=> H2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.221,'cm^3/(mol*s)'), n=4.34, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18079,8 +17946,8 @@ ) entry( - index = 1170, - label = "CH3_r3 + C6H10 <=> CH4b + C6H9", + index = 1161, + label = "CH3-2 + C6H10-2 <=> CH4-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00524,'cm^3/(mol*s)'), n=4.34, Ea=(35.5222,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18092,8 +17959,8 @@ ) entry( - index = 1171, - label = "C6H10 + C2H5 <=> C2H6 + C6H9", + index = 1162, + label = "C6H10-2 + C2H5-2 <=> C2H6-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000495,'cm^3/(mol*s)'), n=4.34, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18105,8 +17972,8 @@ ) entry( - index = 1172, - label = "C6H10 + C3H7 <=> C3H8 + C6H9", + index = 1163, + label = "C6H10-2 + C3H7-2 <=> C3H8-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000384,'cm^3/(mol*s)'), n=4.34, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18118,8 +17985,8 @@ ) entry( - index = 1173, - label = "C6H10 + C4H9-4 <=> iC4H10b + C6H9", + index = 1164, + label = "C6H10-2 + C4H9-5 <=> C4H10-5 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000259,'cm^3/(mol*s)'), n=4.34, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18131,8 +17998,8 @@ ) entry( - index = 1174, - label = "C3H5 + C6H10 <=> C3H6 + C6H9", + index = 1165, + label = "C3H5-3 + C6H10-2 <=> C3H6-3 + C6H9-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001568,'cm^3/(mol*s)'), n=4.34, Ea=(72.8016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18144,8 +18011,8 @@ ) entry( - index = 1175, - label = "C6H10 + C4H7-4 <=> C4H8-4 + C6H9", + index = 1166, + label = "C6H10-2 + C4H7-10 <=> C4H8-10 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000326,'cm^3/(mol*s)'), n=4.34, Ea=(60.919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18157,8 +18024,8 @@ ) entry( - index = 1176, - label = "C6H10 + C5H9-5 <=> C5H10-3 + C6H9", + index = 1167, + label = "C6H10-2 + C5H9-6 <=> C5H10-6 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.4e-05,'cm^3/(mol*s)'), n=4.34, Ea=(56.4003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18170,8 +18037,8 @@ ) entry( - index = 1177, - label = "C5H7-2 + C6H10 <=> C5H8-2 + C6H9", + index = 1168, + label = "C5H7-2 + C6H10-2 <=> C5H8-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00013,'cm^3/(mol*s)'), n=4.34, Ea=(99.119,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18183,8 +18050,8 @@ ) entry( - index = 1178, - label = "C3H3-2 + C6H10 <=> C3H4 + C6H9", + index = 1169, + label = "C3H3-3 + C6H10-2 <=> C3H4-3 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0004,'cm^3/(mol*s)'), n=4.34, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18196,8 +18063,8 @@ ) entry( - index = 1179, - label = "C4H5-5 + C6H10 <=> C4H6 + C6H9", + index = 1170, + label = "C4H5-6 + C6H10-2 <=> C4H6-6 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(8.83e-05,'cm^3/(mol*s)'), n=4.34, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18209,8 +18076,8 @@ ) entry( - index = 1180, - label = "C5H7-3 + C6H10 <=> C5H8 + C6H9", + index = 1171, + label = "C5H7-3 + C6H10-2 <=> C5H8-3 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.23e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18222,8 +18089,8 @@ ) entry( - index = 1181, - label = "C5H3 + C6H10 <=> C5H4 + C6H9", + index = 1172, + label = "C5H3 + C6H10-2 <=> C5H4 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.96e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18235,8 +18102,8 @@ ) entry( - index = 1182, - label = "C6H5-2 + C6H10 <=> C6H6-2 + C6H9", + index = 1173, + label = "C6H5-3 + C6H10-2 <=> C6H6-3 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.07e-06,'cm^3/(mol*s)'), n=4.34, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18248,8 +18115,8 @@ ) entry( - index = 1183, - label = "C6H10 + C7H7 <=> C7H8 + C6H9", + index = 1174, + label = "C6H10-2 + C7H7-5 <=> C7H8-5 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000727,'cm^3/(mol*s)'), n=4.34, Ea=(61.9734,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18261,8 +18128,8 @@ ) entry( - index = 1184, - label = "C6H10 + C8H9 <=> C8H10 + C6H9", + index = 1175, + label = "C6H10-2 + C8H9-2 <=> C8H10-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000205,'cm^3/(mol*s)'), n=4.34, Ea=(51.0281,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18274,8 +18141,8 @@ ) entry( - index = 1185, - label = "C6H10 + C9H11 <=> C9H12 + C6H9", + index = 1176, + label = "C6H10-2 + C9H11-2 <=> C9H12-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(6.76e-06,'cm^3/(mol*s)'), n=4.34, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18287,8 +18154,8 @@ ) entry( - index = 1186, - label = "C2H3 + C6H10 <=> C2H4 + C6H9", + index = 1177, + label = "C2H3 + C6H10-2 <=> C2H4 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00565,'cm^3/(mol*s)'), n=4.34, Ea=(-16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18300,8 +18167,8 @@ ) entry( - index = 1187, - label = "C3H5-2 + C6H10 <=> C3H6-2 + C6H9", + index = 1178, + label = "C3H5-2 + C6H10-2 <=> C3H6-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00214,'cm^3/(mol*s)'), n=4.34, Ea=(-22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18313,8 +18180,8 @@ ) entry( - index = 1188, - label = "C4H5-3 + C6H10 <=> C4H6-4 + C6H9", + index = 1179, + label = "C4H5-7 + C6H10-2 <=> C4H6-7 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00261,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18326,8 +18193,8 @@ ) entry( - index = 1189, - label = "C6H10 + C6H5 <=> C6H6 + C6H9", + index = 1180, + label = "C6H10-2 + C6H5-2 <=> C6H6-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00719,'cm^3/(mol*s)'), n=4.34, Ea=(-27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18339,8 +18206,8 @@ ) entry( - index = 1190, - label = "C4H3 + C6H10 <=> C4H4 + C6H9", + index = 1181, + label = "C4H3-2 + C6H10-2 <=> C4H4-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000613,'cm^3/(mol*s)'), n=4.34, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18352,8 +18219,8 @@ ) entry( - index = 1191, - label = "CH3S-2 + C6H10 <=> CH3SH_r2 + C6H9", + index = 1182, + label = "CH3S-4 + C6H10-2 <=> CH4S-4 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00126,'cm^3/(mol*s)'), n=4.34, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18365,8 +18232,8 @@ ) entry( - index = 1192, - label = "C2H5S + C6H10 <=> C2H6S + C6H9", + index = 1183, + label = "C2H5S + C6H10-2 <=> C2H6S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00238,'cm^3/(mol*s)'), n=4.34, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18378,8 +18245,8 @@ ) entry( - index = 1193, - label = "C3H7S + C6H10 <=> C3H8S + C6H9", + index = 1184, + label = "C3H7S + C6H10-2 <=> C3H8S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000924,'cm^3/(mol*s)'), n=4.34, Ea=(-22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18391,8 +18258,8 @@ ) entry( - index = 1194, - label = "C6H10 + C2H3S-2 <=> C2H4S-2 + C6H9", + index = 1185, + label = "C6H10-2 + C2H3S-2 <=> C2H4S-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00028,'cm^3/(mol*s)'), n=4.34, Ea=(19.0372,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18404,8 +18271,8 @@ ) entry( - index = 1195, - label = "C3H5S + C6H10 <=> C3H6S + C6H9", + index = 1186, + label = "C3H5S-3 + C6H10-2 <=> C3H6S-3 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000291,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18417,8 +18284,8 @@ ) entry( - index = 1196, - label = "C6H10 + C4H7S <=> C4H8S + C6H9", + index = 1187, + label = "C6H10-2 + C4H7S <=> C4H8S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.01e-05,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18430,8 +18297,8 @@ ) entry( - index = 1197, - label = "C2H3S-3 + C6H10 <=> C2H4S-3 + C6H9", + index = 1188, + label = "C2H3S-3 + C6H10-2 <=> C2H4S-3 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00022,'cm^3/(mol*s)'), n=4.34, Ea=(-68.1992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18443,8 +18310,8 @@ ) entry( - index = 1198, - label = "C3H3S + C6H10 <=> C3H4S + C6H9", + index = 1189, + label = "C3H3S + C6H10-2 <=> C3H4S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0226,'cm^3/(mol*s)'), n=4.34, Ea=(47.6976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18456,8 +18323,8 @@ ) entry( - index = 1199, - label = "C3H3 + C6H10 <=> C3H4-1 + C6H9", + index = 1190, + label = "C3H3-4 + C6H10-2 <=> C3H4-4 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000887,'cm^3/(mol*s)'), n=4.34, Ea=(41.7563,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18469,8 +18336,8 @@ ) entry( - index = 1200, - label = "C3H5S-2 + C6H10 <=> C3H6S-2 + C6H9", + index = 1191, + label = "C3H5S-4 + C6H10-2 <=> C3H6S-4 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00113,'cm^3/(mol*s)'), n=4.34, Ea=(77.6132,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18482,8 +18349,8 @@ ) entry( - index = 1201, - label = "C4H7S-2 + C6H10 <=> C4H8S-2 + C6H9", + index = 1192, + label = "C4H7S-2 + C6H10-2 <=> C4H8S-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.72e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18495,8 +18362,8 @@ ) entry( - index = 1202, - label = "C2H3S2 + C6H10 <=> C2H4S2 + C6H9", + index = 1193, + label = "C2H3S2 + C6H10-2 <=> C2H4S2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00262,'cm^3/(mol*s)'), n=4.34, Ea=(125.604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18508,8 +18375,8 @@ ) entry( - index = 1203, - label = "C3H5S2 + C6H10 <=> C3H6S2 + C6H9", + index = 1194, + label = "C3H5S2 + C6H10-2 <=> C3H6S2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000467,'cm^3/(mol*s)'), n=4.34, Ea=(124.348,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18521,8 +18388,8 @@ ) entry( - index = 1204, - label = "C3H3S-2 + C6H10 <=> C3H4S-2 + C6H9", + index = 1195, + label = "C3H3S-2 + C6H10-2 <=> C3H4S-2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000573,'cm^3/(mol*s)'), n=4.34, Ea=(-0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18534,8 +18401,8 @@ ) entry( - index = 1205, - label = "C4H5S + C6H10 <=> C4H6S + C6H9", + index = 1196, + label = "C4H5S + C6H10-2 <=> C4H6S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000151,'cm^3/(mol*s)'), n=4.34, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18547,8 +18414,8 @@ ) entry( - index = 1206, - label = "C7H7S + C6H10 <=> C7H8S + C6H9", + index = 1197, + label = "C7H7S + C6H10-2 <=> C7H8S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00027,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18560,8 +18427,8 @@ ) entry( - index = 1207, - label = "C8H9S + C6H10 <=> C8H10S + C6H9", + index = 1198, + label = "C8H9S + C6H10-2 <=> C8H10S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(6.54e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18573,8 +18440,8 @@ ) entry( - index = 1208, - label = "CHS + C6H10 <=> CH2S + C6H9", + index = 1199, + label = "CHS + C6H10-2 <=> CH2S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0195,'cm^3/(mol*s)'), n=4.34, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18586,8 +18453,8 @@ ) entry( - index = 1209, - label = "C6H10 + C2H3S <=> C2H4S + C6H9", + index = 1200, + label = "C6H10-2 + C2H3S-4 <=> C2H4S-4 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00833,'cm^3/(mol*s)'), n=4.34, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18599,8 +18466,8 @@ ) entry( - index = 1210, - label = "CHS2 + C6H10 <=> CH2S2 + C6H9", + index = 1201, + label = "CHS2 + C6H10-2 <=> CH2S2 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.014,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18612,8 +18479,8 @@ ) entry( - index = 1211, - label = "C6H10 + C3H3S-3 <=> C3H4S-3 + C6H9", + index = 1202, + label = "C6H10-2 + C3H3S-3 <=> C3H4S-3 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00816,'cm^3/(mol*s)'), n=4.34, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18625,8 +18492,8 @@ ) entry( - index = 1212, - label = "C3HS + C6H10 <=> C3H2S + C6H9", + index = 1203, + label = "C3HS + C6H10-2 <=> C3H2S + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0228,'cm^3/(mol*s)'), n=4.34, Ea=(58.1576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18638,8 +18505,8 @@ ) entry( - index = 1213, - label = "H + C3H4 <=> H2 + C3H3-2", + index = 1204, + label = "H + C3H4-2 <=> H2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.813,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18651,8 +18518,8 @@ ) entry( - index = 1214, - label = "C3H4 + CH3_r3 <=> CH4b + C3H3-2", + index = 1205, + label = "C3H4-2 + CH3-2 <=> CH4-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01923,'cm^3/(mol*s)'), n=4.34, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18664,8 +18531,8 @@ ) entry( - index = 1215, - label = "C3H4 + C2H5 <=> C2H6 + C3H3-2", + index = 1206, + label = "C3H4-2 + C2H5-2 <=> C2H6-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002709,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18677,8 +18544,8 @@ ) entry( - index = 1216, - label = "C3H4 + C3H7 <=> C3H8 + C3H3-2", + index = 1207, + label = "C3H4-2 + C3H7-2 <=> C3H8-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00315,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18690,8 +18557,8 @@ ) entry( - index = 1217, - label = "C3H4 + C4H9-4 <=> iC4H10b + C3H3-2", + index = 1208, + label = "C3H4-2 + C4H9-5 <=> C4H10-5 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00315,'cm^3/(mol*s)'), n=4.34, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18703,8 +18570,8 @@ ) entry( - index = 1218, - label = "C3H4 + C3H5 <=> C3H6 + C3H3-2", + index = 1209, + label = "C3H4-2 + C3H5-3 <=> C3H6-3 + C3H3-2", degeneracy = 6.0, kinetics = Arrhenius(A=(0.02706,'cm^3/(mol*s)'), n=4.34, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18716,8 +18583,8 @@ ) entry( - index = 1219, - label = "C3H4 + C4H7-4 <=> C4H8-4 + C3H3-2", + index = 1210, + label = "C3H4-2 + C4H7-10 <=> C4H8-10 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00837,'cm^3/(mol*s)'), n=4.34, Ea=(61.9232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18729,8 +18596,8 @@ ) entry( - index = 1220, - label = "C3H4 + C5H9-5 <=> C5H10-3 + C3H3-2", + index = 1211, + label = "C3H4-2 + C5H9-6 <=> C5H10-6 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001305,'cm^3/(mol*s)'), n=4.34, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18742,8 +18609,8 @@ ) entry( - index = 1221, - label = "C3H4 + C5H7-2 <=> C5H8-2 + C3H3-2", + index = 1212, + label = "C3H4-2 + C5H7-2 <=> C5H8-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01056,'cm^3/(mol*s)'), n=4.34, Ea=(84.5168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18755,8 +18622,8 @@ ) entry( - index = 1222, - label = "C3H4 + C6H9 <=> C6H10 + C3H3-2", + index = 1213, + label = "C3H4-2 + C6H9 <=> C6H10 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000474,'cm^3/(mol*s)'), n=4.34, Ea=(82.0064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18768,8 +18635,8 @@ ) entry( - index = 1223, - label = "C3H4 + C4H5-5 <=> C4H6 + C3H3-2", + index = 1214, + label = "C3H4-2 + C4H5-6 <=> C4H6-6 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00564,'cm^3/(mol*s)'), n=4.34, Ea=(51.0448,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18781,8 +18648,8 @@ ) entry( - index = 1224, - label = "C3H4 + C5H7-3 <=> C5H8 + C3H3-2", + index = 1215, + label = "C3H4-2 + C5H7-3 <=> C5H8-3 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002124,'cm^3/(mol*s)'), n=4.34, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18794,8 +18661,8 @@ ) entry( - index = 1225, - label = "C3H4 + C5H3 <=> C5H4 + C3H3-2", + index = 1216, + label = "C3H4-2 + C5H3 <=> C5H4 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01977,'cm^3/(mol*s)'), n=4.34, Ea=(72.3832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18807,8 +18674,8 @@ ) entry( - index = 1226, - label = "C3H4 + C6H5-2 <=> C6H6-2 + C3H3-2", + index = 1217, + label = "C3H4-2 + C6H5-3 <=> C6H6-3 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000798,'cm^3/(mol*s)'), n=4.34, Ea=(72.3832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18820,8 +18687,8 @@ ) entry( - index = 1227, - label = "C3H4 + C7H7 <=> C7H8 + C3H3-2", + index = 1218, + label = "C3H4-2 + C7H7-5 <=> C7H8-5 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01254,'cm^3/(mol*s)'), n=4.34, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18833,8 +18700,8 @@ ) entry( - index = 1228, - label = "C3H4 + C8H9 <=> C8H10 + C3H3-2", + index = 1219, + label = "C3H4-2 + C8H9-2 <=> C8H10-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00528,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18846,8 +18713,8 @@ ) entry( - index = 1229, - label = "C3H4 + C9H11 <=> C9H12 + C3H3-2", + index = 1220, + label = "C3H4-2 + C9H11-2 <=> C9H12-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002595,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18859,8 +18726,8 @@ ) entry( - index = 1230, - label = "C3H4 + C2H3 <=> C2H4 + C3H3-2", + index = 1221, + label = "C3H4-2 + C2H3 <=> C2H4 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02076,'cm^3/(mol*s)'), n=4.34, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18872,8 +18739,8 @@ ) entry( - index = 1231, - label = "C3H4 + C3H5-2 <=> C3H6-2 + C3H3-2", + index = 1222, + label = "C3H4-2 + C3H5-2 <=> C3H6-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01173,'cm^3/(mol*s)'), n=4.34, Ea=(1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18885,8 +18752,8 @@ ) entry( - index = 1232, - label = "C3H4 + C4H5-3 <=> C4H6-4 + C3H3-2", + index = 1223, + label = "C3H4-2 + C4H5-7 <=> C4H6-7 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00957,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18898,8 +18765,8 @@ ) entry( - index = 1233, - label = "C3H4 + C6H5 <=> C6H6 + C3H3-2", + index = 1224, + label = "C3H4-2 + C6H5-2 <=> C6H6-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0264,'cm^3/(mol*s)'), n=4.34, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18911,8 +18778,8 @@ ) entry( - index = 1234, - label = "C4H3 + C3H4 <=> C4H4 + C3H3-2", + index = 1225, + label = "C4H3-2 + C3H4-2 <=> C4H4-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00225,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18924,8 +18791,8 @@ ) entry( - index = 1235, - label = "C3H4 + CH3S-2 <=> CH3SH_r2 + C3H3-2", + index = 1226, + label = "C3H4-2 + CH3S-4 <=> CH4S-4 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00609,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18937,8 +18804,8 @@ ) entry( - index = 1236, - label = "C3H4 + C2H5S <=> C2H6S + C3H3-2", + index = 1227, + label = "C3H4-2 + C2H5S <=> C2H6S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01707,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18950,8 +18817,8 @@ ) entry( - index = 1237, - label = "C3H4 + C3H7S <=> C3H8S + C3H3-2", + index = 1228, + label = "C3H4-2 + C3H7S <=> C3H8S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0099,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18963,8 +18830,8 @@ ) entry( - index = 1238, - label = "C3H4 + C2H3S-2 <=> C2H4S-2 + C3H3-2", + index = 1229, + label = "C3H4-2 + C2H3S-2 <=> C2H4S-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01335,'cm^3/(mol*s)'), n=4.34, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18976,8 +18843,8 @@ ) entry( - index = 1239, - label = "C3H4 + C3H5S <=> C3H6S + C3H3-2", + index = 1230, + label = "C3H4-2 + C3H5S-3 <=> C3H6S-3 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02076,'cm^3/(mol*s)'), n=4.34, Ea=(78.6592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -18989,8 +18856,8 @@ ) entry( - index = 1240, - label = "C3H4 + C4H7S <=> C4H8S + C3H3-2", + index = 1231, + label = "C3H4-2 + C4H7S <=> C4H8S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00957,'cm^3/(mol*s)'), n=4.34, Ea=(84.5168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19002,8 +18869,8 @@ ) entry( - index = 1241, - label = "C3H4 + C2H3S-3 <=> C2H4S-3 + C3H3-2", + index = 1232, + label = "C3H4-2 + C2H3S-3 <=> C2H4S-3 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0105,'cm^3/(mol*s)'), n=4.34, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19015,8 +18882,8 @@ ) entry( - index = 1242, - label = "C3H4 + C3H3S <=> C3H4S + C3H3-2", + index = 1233, + label = "C3H4-2 + C3H3S <=> C3H4S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0828,'cm^3/(mol*s)'), n=4.34, Ea=(66.944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19028,8 +18895,8 @@ ) entry( - index = 1243, - label = "C3H4 + C3H5S-2 <=> C3H6S-2 + C3H3-2", + index = 1234, + label = "C3H4-2 + C3H5S-4 <=> C3H6S-4 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02553,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19041,8 +18908,8 @@ ) entry( - index = 1244, - label = "C3H4 + C3H3 <=> C3H4-1 + C3H3-2", + index = 1235, + label = "C3H4-2 + C3H3-4 <=> C3H4-4 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0153,'cm^3/(mol*s)'), n=4.34, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19054,8 +18921,8 @@ ) entry( - index = 1245, - label = "C3H4 + C4H7S-2 <=> C4H8S-2 + C3H3-2", + index = 1236, + label = "C3H4-2 + C4H7S-2 <=> C4H8S-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00327,'cm^3/(mol*s)'), n=4.34, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19067,8 +18934,8 @@ ) entry( - index = 1246, - label = "C3H4 + C2H3S2 <=> C2H4S2 + C3H3-2", + index = 1237, + label = "C3H4-2 + C2H3S2 <=> C2H4S2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.1641,'cm^3/(mol*s)'), n=4.34, Ea=(99.9976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19080,8 +18947,8 @@ ) entry( - index = 1247, - label = "C3H4 + C3H5S2 <=> C3H6S2 + C3H3-2", + index = 1238, + label = "C3H4-2 + C3H5S2 <=> C3H6S2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0435,'cm^3/(mol*s)'), n=4.34, Ea=(100.834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19093,8 +18960,8 @@ ) entry( - index = 1248, - label = "C3H4 + C3H3S-2 <=> C3H4S-2 + C3H3-2", + index = 1239, + label = "C3H4-2 + C3H3S-2 <=> C3H4S-2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0321,'cm^3/(mol*s)'), n=4.34, Ea=(60.2496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19106,8 +18973,8 @@ ) entry( - index = 1249, - label = "C3H4 + C4H5S <=> C4H6S + C3H3-2", + index = 1240, + label = "C3H4-2 + C4H5S <=> C4H6S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01266,'cm^3/(mol*s)'), n=4.34, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19119,8 +18986,8 @@ ) entry( - index = 1250, - label = "C3H4 + C7H7S <=> C7H8S + C3H3-2", + index = 1241, + label = "C3H4-2 + C7H7S <=> C7H8S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00612,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19132,8 +18999,8 @@ ) entry( - index = 1251, - label = "C3H4 + C8H9S <=> C8H10S + C3H3-2", + index = 1242, + label = "C3H4-2 + C8H9S <=> C8H10S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002208,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19145,8 +19012,8 @@ ) entry( - index = 1252, - label = "CHS + C3H4 <=> CH2S + C3H3-2", + index = 1243, + label = "CHS + C3H4-2 <=> CH2S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0714,'cm^3/(mol*s)'), n=4.34, Ea=(51.0448,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19158,8 +19025,8 @@ ) entry( - index = 1253, - label = "C3H4 + C2H3S <=> C2H4S + C3H3-2", + index = 1244, + label = "C3H4-2 + C2H3S-4 <=> C2H4S-4 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0456,'cm^3/(mol*s)'), n=4.34, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19171,8 +19038,8 @@ ) entry( - index = 1254, - label = "CHS2 + C3H4 <=> CH2S2 + C3H3-2", + index = 1245, + label = "CHS2 + C3H4-2 <=> CH2S2 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0675,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19184,8 +19051,8 @@ ) entry( - index = 1255, - label = "C3H4 + C3H3S-3 <=> C3H4S-3 + C3H3-2", + index = 1246, + label = "C3H4-2 + C3H3S-3 <=> C3H4S-3 + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02994,'cm^3/(mol*s)'), n=4.34, Ea=(61.9232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19197,8 +19064,8 @@ ) entry( - index = 1256, - label = "C3HS + C3H4 <=> C3H2S + C3H3-2", + index = 1247, + label = "C3HS + C3H4-2 <=> C3H2S + C3H3-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0837,'cm^3/(mol*s)'), n=4.34, Ea=(76.9856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19210,8 +19077,8 @@ ) entry( - index = 1257, - label = "H + C4H6 <=> H2 + C4H5-5", + index = 1248, + label = "H + C4H6 <=> H2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.716,'cm^3/(mol*s)'), n=4.34, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19223,8 +19090,8 @@ ) entry( - index = 1258, - label = "C4H6 + CH3_r3 <=> CH4b + C4H5-5", + index = 1249, + label = "C4H6 + CH3-2 <=> CH4-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01694,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19236,8 +19103,8 @@ ) entry( - index = 1259, - label = "C4H6 + C2H5 <=> C2H6 + C4H5-5", + index = 1250, + label = "C4H6 + C2H5-2 <=> C2H6-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00195,'cm^3/(mol*s)'), n=4.34, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19249,8 +19116,8 @@ ) entry( - index = 1260, - label = "C4H6 + C3H7 <=> C3H8 + C4H5-5", + index = 1251, + label = "C4H6 + C3H7-2 <=> C3H8-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001842,'cm^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19262,8 +19129,8 @@ ) entry( - index = 1261, - label = "C4H6 + C4H9-4 <=> iC4H10b + C4H5-5", + index = 1252, + label = "C4H6 + C4H9-5 <=> C4H10-5 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001514,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19275,8 +19142,8 @@ ) entry( - index = 1262, - label = "C4H6 + C3H5 <=> C3H6 + C4H5-5", + index = 1253, + label = "C4H6 + C3H5-3 <=> C3H6-3 + C4H5", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01952,'cm^3/(mol*s)'), n=4.34, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19288,8 +19155,8 @@ ) entry( - index = 1263, - label = "C4H6 + C4H7-4 <=> C4H8-4 + C4H5-5", + index = 1254, + label = "C4H6 + C4H7-10 <=> C4H8-10 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00494,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19301,8 +19168,8 @@ ) entry( - index = 1264, - label = "C4H6 + C5H9-5 <=> C5H10-3 + C4H5-5", + index = 1255, + label = "C4H6 + C5H9-6 <=> C5H10-6 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000628,'cm^3/(mol*s)'), n=4.34, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19314,8 +19181,8 @@ ) entry( - index = 1265, - label = "C4H6 + C5H7-2 <=> C5H8-2 + C4H5-5", + index = 1256, + label = "C4H6 + C5H7-2 <=> C5H8-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00626,'cm^3/(mol*s)'), n=4.34, Ea=(69.4544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19327,8 +19194,8 @@ ) entry( - index = 1266, - label = "C4H6 + C6H9 <=> C6H10 + C4H5-5", + index = 1257, + label = "C4H6 + C6H9 <=> C6H10 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00023,'cm^3/(mol*s)'), n=4.34, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19340,8 +19207,8 @@ ) entry( - index = 1267, - label = "C3H3-2 + C4H6 <=> C3H4 + C4H5-5", + index = 1258, + label = "C3H3-3 + C4H6 <=> C3H4-3 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01238,'cm^3/(mol*s)'), n=4.34, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19353,8 +19220,8 @@ ) entry( - index = 1268, - label = "C4H6 + C5H7-3 <=> C5H8 + C4H5-5", + index = 1259, + label = "C4H6 + C5H7-3 <=> C5H8-3 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001024,'cm^3/(mol*s)'), n=4.34, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19366,8 +19233,8 @@ ) entry( - index = 1269, - label = "C5H3 + C4H6 <=> C5H4 + C4H5-5", + index = 1260, + label = "C5H3 + C4H6 <=> C5H4 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01172,'cm^3/(mol*s)'), n=4.34, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19379,8 +19246,8 @@ ) entry( - index = 1270, - label = "C6H5-2 + C4H6 <=> C6H6-2 + C4H5-5", + index = 1261, + label = "C6H5-3 + C4H6 <=> C6H6-3 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000386,'cm^3/(mol*s)'), n=4.34, Ea=(56.0656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19392,8 +19259,8 @@ ) entry( - index = 1271, - label = "C4H6 + C7H7 <=> C7H8 + C4H5-5", + index = 1262, + label = "C4H6 + C7H7-5 <=> C7H8-5 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00906,'cm^3/(mol*s)'), n=4.34, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19405,8 +19272,8 @@ ) entry( - index = 1272, - label = "C4H6 + C8H9 <=> C8H10 + C4H5-5", + index = 1263, + label = "C4H6 + C8H9-2 <=> C8H10-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00312,'cm^3/(mol*s)'), n=4.34, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19418,8 +19285,8 @@ ) entry( - index = 1273, - label = "C4H6 + C9H11 <=> C9H12 + C4H5-5", + index = 1264, + label = "C4H6 + C9H11-2 <=> C9H12-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001252,'cm^3/(mol*s)'), n=4.34, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19431,8 +19298,8 @@ ) entry( - index = 1274, - label = "C4H6 + C2H3 <=> C2H4 + C4H5-5", + index = 1265, + label = "C4H6 + C2H3 <=> C2H4 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01828,'cm^3/(mol*s)'), n=4.34, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19444,8 +19311,8 @@ ) entry( - index = 1275, - label = "C4H6 + C3H5-2 <=> C3H6-2 + C4H5-5", + index = 1266, + label = "C4H6 + C3H5-2 <=> C3H6-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00844,'cm^3/(mol*s)'), n=4.34, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19457,8 +19324,8 @@ ) entry( - index = 1276, - label = "C4H6 + C4H5-3 <=> C4H6-4 + C4H5-5", + index = 1267, + label = "C4H6 + C4H5-7 <=> C4H6-7 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00844,'cm^3/(mol*s)'), n=4.34, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19470,8 +19337,8 @@ ) entry( - index = 1277, - label = "C4H6 + C6H5 <=> C6H6 + C4H5-5", + index = 1268, + label = "C4H6 + C6H5-2 <=> C6H6-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0232,'cm^3/(mol*s)'), n=4.34, Ea=(-15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19483,8 +19350,8 @@ ) entry( - index = 1278, - label = "C4H3 + C4H6 <=> C4H4 + C4H5-5", + index = 1269, + label = "C4H3-2 + C4H6 <=> C4H4-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00198,'cm^3/(mol*s)'), n=4.34, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19496,8 +19363,8 @@ ) entry( - index = 1279, - label = "C4H6 + CH3S-2 <=> CH3SH_r2 + C4H5-5", + index = 1270, + label = "C4H6 + CH3S-4 <=> CH4S-4 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00516,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19509,8 +19376,8 @@ ) entry( - index = 1280, - label = "C4H6 + C2H5S <=> C2H6S + C4H5-5", + index = 1271, + label = "C4H6 + C2H5S <=> C2H6S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01184,'cm^3/(mol*s)'), n=4.34, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19522,8 +19389,8 @@ ) entry( - index = 1281, - label = "C4H6 + C3H7S <=> C3H8S + C4H5-5", + index = 1272, + label = "C4H6 + C3H7S <=> C3H8S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0056,'cm^3/(mol*s)'), n=4.34, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19535,8 +19402,8 @@ ) entry( - index = 1282, - label = "C4H6 + C2H3S-2 <=> C2H4S-2 + C4H5-5", + index = 1273, + label = "C4H6 + C2H3S-2 <=> C2H4S-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00804,'cm^3/(mol*s)'), n=4.34, Ea=(58.1576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19548,8 +19415,8 @@ ) entry( - index = 1283, - label = "C4H6 + C3H5S <=> C3H6S + C4H5-5", + index = 1274, + label = "C4H6 + C3H5S-3 <=> C3H6S-3 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01022,'cm^3/(mol*s)'), n=4.34, Ea=(65.2704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19561,8 +19428,8 @@ ) entry( - index = 1284, - label = "C4H6 + C4H7S <=> C4H8S + C4H5-5", + index = 1275, + label = "C4H6 + C4H7S <=> C4H8S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00384,'cm^3/(mol*s)'), n=4.34, Ea=(69.8728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19574,8 +19441,8 @@ ) entry( - index = 1285, - label = "C4H6 + C2H3S-3 <=> C2H4S-3 + C4H5-5", + index = 1276, + label = "C4H6 + C2H3S-3 <=> C2H4S-3 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00632,'cm^3/(mol*s)'), n=4.34, Ea=(-20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19587,8 +19454,8 @@ ) entry( - index = 1286, - label = "C4H6 + C3H3S <=> C3H4S + C4H5-5", + index = 1277, + label = "C4H6 + C3H3S <=> C3H4S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.073,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19600,8 +19467,8 @@ ) entry( - index = 1287, - label = "C4H6 + C3H5S-2 <=> C3H6S-2 + C4H5-5", + index = 1278, + label = "C4H6 + C3H5S-4 <=> C3H6S-4 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01778,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19613,8 +19480,8 @@ ) entry( - index = 1288, - label = "C4H6 + C4H7S-2 <=> C4H8S-2 + C4H5-5", + index = 1279, + label = "C4H6 + C4H7S-2 <=> C4H8S-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001868,'cm^3/(mol*s)'), n=4.34, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19626,8 +19493,8 @@ ) entry( - index = 1289, - label = "C4H6 + C3H3 <=> C3H4-1 + C4H5-5", + index = 1280, + label = "C4H6 + C3H3-4 <=> C3H4-4 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01104,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19639,8 +19506,8 @@ ) entry( - index = 1290, - label = "C4H6 + C2H3S2 <=> C2H4S2 + C4H5-5", + index = 1281, + label = "C4H6 + C2H3S2 <=> C2H4S2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0952,'cm^3/(mol*s)'), n=4.34, Ea=(83.68,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19652,8 +19519,8 @@ ) entry( - index = 1291, - label = "C4H6 + C3H5S2 <=> C3H6S2 + C4H5-5", + index = 1282, + label = "C4H6 + C3H5S2 <=> C3H6S2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0206,'cm^3/(mol*s)'), n=4.34, Ea=(84.0984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19665,8 +19532,8 @@ ) entry( - index = 1292, - label = "C4H6 + C3H3S-2 <=> C3H4S-2 + C4H5-5", + index = 1283, + label = "C4H6 + C3H3S-2 <=> C3H4S-2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0224,'cm^3/(mol*s)'), n=4.34, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19678,8 +19545,8 @@ ) entry( - index = 1293, - label = "C4H6 + C4H5S <=> C4H6S + C4H5-5", + index = 1284, + label = "C4H6 + C4H5S <=> C4H6S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0072,'cm^3/(mol*s)'), n=4.34, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19691,8 +19558,8 @@ ) entry( - index = 1294, - label = "C4H6 + C7H7S <=> C7H8S + C4H5-5", + index = 1285, + label = "C4H6 + C7H7S <=> C7H8S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00426,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19704,8 +19571,8 @@ ) entry( - index = 1295, - label = "C4H6 + C8H9S <=> C8H10S + C4H5-5", + index = 1286, + label = "C4H6 + C8H9S <=> C8H10S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001256,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19717,8 +19584,8 @@ ) entry( - index = 1296, - label = "CHS + C4H6 <=> CH2S + C4H5-5", + index = 1287, + label = "CHS + C4H6 <=> CH2S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.063,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19730,8 +19597,8 @@ ) entry( - index = 1297, - label = "C4H6 + C2H3S <=> C2H4S + C4H5-5", + index = 1288, + label = "C4H6 + C2H3S-4 <=> C2H4S-4 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0328,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19743,8 +19610,8 @@ ) entry( - index = 1298, - label = "CHS2 + C4H6 <=> CH2S2 + C4H5-5", + index = 1289, + label = "CHS2 + C4H6 <=> CH2S2 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0572,'cm^3/(mol*s)'), n=4.34, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19756,8 +19623,8 @@ ) entry( - index = 1299, - label = "C4H6 + C3H3S-3 <=> C3H4S-3 + C4H5-5", + index = 1290, + label = "C4H6 + C3H3S-3 <=> C3H4S-3 + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0264,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19769,8 +19636,8 @@ ) entry( - index = 1300, - label = "C4H6 + C3HS <=> C3H2S + C4H5-5", + index = 1291, + label = "C4H6 + C3HS <=> C3H2S + C4H5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0738,'cm^3/(mol*s)'), n=4.34, Ea=(70.7096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19782,8 +19649,8 @@ ) entry( - index = 1301, - label = "H + C5H8 <=> H2 + C5H7-3", + index = 1292, + label = "H + C5H8 <=> H2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.414,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19795,8 +19662,8 @@ ) entry( - index = 1302, - label = "C5H8 + CH3_r3 <=> CH4b + C5H7-3", + index = 1293, + label = "C5H8 + CH3-2 <=> CH4-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0098,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19808,8 +19675,8 @@ ) entry( - index = 1303, - label = "C5H8 + C2H5 <=> C2H6 + C5H7-3", + index = 1294, + label = "C5H8 + C2H5-2 <=> C2H6-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000921,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19821,8 +19688,8 @@ ) entry( - index = 1304, - label = "C5H8 + C3H7 <=> C3H8 + C5H7-3", + index = 1295, + label = "C5H8 + C3H7-2 <=> C3H8-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000711,'cm^3/(mol*s)'), n=4.34, Ea=(7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19834,8 +19701,8 @@ ) entry( - index = 1305, - label = "C5H8 + C4H9-4 <=> iC4H10b + C5H7-3", + index = 1296, + label = "C5H8 + C4H9-5 <=> C4H10-5 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000477,'cm^3/(mol*s)'), n=4.34, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19847,8 +19714,8 @@ ) entry( - index = 1306, - label = "C5H8 + C3H5 <=> C3H6 + C5H7-3", + index = 1297, + label = "C5H8 + C3H5-3 <=> C3H6-3 + C5H7", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00926,'cm^3/(mol*s)'), n=4.34, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19860,8 +19727,8 @@ ) entry( - index = 1307, - label = "C5H8 + C4H7-4 <=> C4H8-4 + C5H7-3", + index = 1298, + label = "C5H8 + C4H7-10 <=> C4H8-10 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00192,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19873,8 +19740,8 @@ ) entry( - index = 1308, - label = "C5H8 + C5H9-5 <=> C5H10-3 + C5H7-3", + index = 1299, + label = "C5H8 + C5H9-6 <=> C5H10-6 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000199,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19886,8 +19753,8 @@ ) entry( - index = 1309, - label = "C5H8 + C5H7-2 <=> C5H8-2 + C5H7-3", + index = 1300, + label = "C5H8 + C5H7-2 <=> C5H8-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00244,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19899,8 +19766,8 @@ ) entry( - index = 1310, - label = "C5H8 + C6H9 <=> C6H10 + C5H7-3", + index = 1301, + label = "C5H8 + C6H9 <=> C6H10 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(7.3e-05,'cm^3/(mol*s)'), n=4.34, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19912,8 +19779,8 @@ ) entry( - index = 1311, - label = "C5H8 + C3H3-2 <=> C3H4 + C5H7-3", + index = 1302, + label = "C5H8 + C3H3-3 <=> C3H4-3 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00587,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19925,8 +19792,8 @@ ) entry( - index = 1312, - label = "C4H5-5 + C5H8 <=> C4H6 + C5H7-3", + index = 1303, + label = "C4H5-6 + C5H8 <=> C4H6-6 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00129,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19938,8 +19805,8 @@ ) entry( - index = 1313, - label = "C5H3 + C5H8 <=> C5H4 + C5H7-3", + index = 1304, + label = "C5H3 + C5H8 <=> C5H4 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00456,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19951,8 +19818,8 @@ ) entry( - index = 1314, - label = "C6H5-2 + C5H8 <=> C6H6-2 + C5H7-3", + index = 1305, + label = "C6H5-3 + C5H8 <=> C6H6-3 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000123,'cm^3/(mol*s)'), n=4.34, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19964,8 +19831,8 @@ ) entry( - index = 1315, - label = "C5H8 + C7H7 <=> C7H8 + C5H7-3", + index = 1306, + label = "C5H8 + C7H7-5 <=> C7H8-5 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0043,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19977,8 +19844,8 @@ ) entry( - index = 1316, - label = "C5H8 + C8H9 <=> C8H10 + C5H7-3", + index = 1307, + label = "C5H8 + C8H9-2 <=> C8H10-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00121,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -19990,8 +19857,8 @@ ) entry( - index = 1317, - label = "C5H8 + C9H11 <=> C9H12 + C5H7-3", + index = 1308, + label = "C5H8 + C9H11-2 <=> C9H12-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(3.96e-05,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20003,8 +19870,8 @@ ) entry( - index = 1318, - label = "C5H8 + C2H3 <=> C2H4 + C5H7-3", + index = 1309, + label = "C5H8 + C2H3 <=> C2H4 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0106,'cm^3/(mol*s)'), n=4.34, Ea=(-9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20016,8 +19883,8 @@ ) entry( - index = 1319, - label = "C5H8 + C3H5-2 <=> C3H6-2 + C5H7-3", + index = 1310, + label = "C5H8 + C3H5-2 <=> C3H6-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00399,'cm^3/(mol*s)'), n=4.34, Ea=(-12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20029,8 +19896,8 @@ ) entry( - index = 1320, - label = "C5H8 + C4H5-3 <=> C4H6-4 + C5H7-3", + index = 1311, + label = "C5H8 + C4H5-7 <=> C4H6-7 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00488,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20042,8 +19909,8 @@ ) entry( - index = 1321, - label = "C5H8 + C6H5 <=> C6H6 + C5H7-3", + index = 1312, + label = "C5H8 + C6H5-2 <=> C6H6-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0134,'cm^3/(mol*s)'), n=4.34, Ea=(-20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20055,8 +19922,8 @@ ) entry( - index = 1322, - label = "C5H8 + C4H3 <=> C4H4 + C5H7-3", + index = 1313, + label = "C5H8 + C4H3-2 <=> C4H4-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00115,'cm^3/(mol*s)'), n=4.34, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20068,8 +19935,8 @@ ) entry( - index = 1323, - label = "C5H8 + CH3S-2 <=> CH3SH_r2 + C5H7-3", + index = 1314, + label = "C5H8 + CH3S-4 <=> CH4S-4 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00288,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20081,8 +19948,8 @@ ) entry( - index = 1324, - label = "C5H8 + C2H5S <=> C2H6S + C5H7-3", + index = 1315, + label = "C5H8 + C2H5S <=> C2H6S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00539,'cm^3/(mol*s)'), n=4.34, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20094,8 +19961,8 @@ ) entry( - index = 1325, - label = "C5H8 + C3H7S <=> C3H8S + C5H7-3", + index = 1316, + label = "C5H8 + C3H7S <=> C3H8S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00209,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20107,8 +19974,8 @@ ) entry( - index = 1326, - label = "C5H8 + C2H3S-2 <=> C2H4S-2 + C5H7-3", + index = 1317, + label = "C5H8 + C2H3S-2 <=> C2H4S-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00318,'cm^3/(mol*s)'), n=4.34, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20120,8 +19987,8 @@ ) entry( - index = 1327, - label = "C5H8 + C3H5S <=> C3H6S + C5H7-3", + index = 1318, + label = "C5H8 + C3H5S-3 <=> C3H6S-3 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0033,'cm^3/(mol*s)'), n=4.34, Ea=(51.4632,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20133,8 +20000,8 @@ ) entry( - index = 1328, - label = "C5H8 + C4H7S <=> C4H8S + C5H7-3", + index = 1319, + label = "C5H8 + C4H7S <=> C4H8S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00101,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20146,8 +20013,8 @@ ) entry( - index = 1329, - label = "C2H3S-3 + C5H8 <=> C2H4S-3 + C5H7-3", + index = 1320, + label = "C2H3S-3 + C5H8 <=> C2H4S-3 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0025,'cm^3/(mol*s)'), n=4.34, Ea=(-33.472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20159,8 +20026,8 @@ ) entry( - index = 1330, - label = "C5H8 + C3H3S <=> C3H4S + C5H7-3", + index = 1321, + label = "C5H8 + C3H3S <=> C3H4S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0422,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20172,8 +20039,8 @@ ) entry( - index = 1331, - label = "C5H8 + C3H5S-2 <=> C3H6S-2 + C5H7-3", + index = 1322, + label = "C5H8 + C3H5S-4 <=> C3H6S-4 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00813,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20185,8 +20052,8 @@ ) entry( - index = 1332, - label = "C5H8 + C4H7S-2 <=> C4H8S-2 + C5H7-3", + index = 1323, + label = "C5H8 + C4H7S-2 <=> C4H8S-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000697,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20198,8 +20065,8 @@ ) entry( - index = 1333, - label = "C5H8 + C2H3S2 <=> C2H4S2 + C5H7-3", + index = 1324, + label = "C5H8 + C2H3S2 <=> C2H4S2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0363,'cm^3/(mol*s)'), n=4.34, Ea=(72.8016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20211,8 +20078,8 @@ ) entry( - index = 1334, - label = "C5H8 + C3H3 <=> C3H4-1 + C5H7-3", + index = 1325, + label = "C5H8 + C3H3-4 <=> C3H4-4 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00524,'cm^3/(mol*s)'), n=4.34, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20224,8 +20091,8 @@ ) entry( - index = 1335, - label = "C5H8 + C3H5S2 <=> C3H6S2 + C5H7-3", + index = 1326, + label = "C5H8 + C3H5S2 <=> C3H6S2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00643,'cm^3/(mol*s)'), n=4.34, Ea=(71.5464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20237,8 +20104,8 @@ ) entry( - index = 1336, - label = "C3H3S-2 + C5H8 <=> C3H4S-2 + C5H7-3", + index = 1327, + label = "C3H3S-2 + C5H8 <=> C3H4S-2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0102,'cm^3/(mol*s)'), n=4.34, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20250,8 +20117,8 @@ ) entry( - index = 1337, - label = "C5H8 + C4H5S <=> C4H6S + C5H7-3", + index = 1328, + label = "C5H8 + C4H5S <=> C4H6S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00269,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20263,8 +20130,8 @@ ) entry( - index = 1338, - label = "C5H8 + C7H7S <=> C7H8S + C5H7-3", + index = 1329, + label = "C5H8 + C7H7S <=> C7H8S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00195,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20276,8 +20143,8 @@ ) entry( - index = 1339, - label = "C5H8 + C8H9S <=> C8H10S + C5H7-3", + index = 1330, + label = "C5H8 + C8H9S <=> C8H10S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000469,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20289,8 +20156,8 @@ ) entry( - index = 1340, - label = "CHS + C5H8 <=> CH2S + C5H7-3", + index = 1331, + label = "CHS + C5H8 <=> CH2S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0364,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20302,8 +20169,8 @@ ) entry( - index = 1341, - label = "C5H8 + C2H3S <=> C2H4S + C5H7-3", + index = 1332, + label = "C5H8 + C2H3S-4 <=> C2H4S-4 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0155,'cm^3/(mol*s)'), n=4.34, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20315,8 +20182,8 @@ ) entry( - index = 1342, - label = "C5H8 + CHS2 <=> CH2S2 + C5H7-3", + index = 1333, + label = "C5H8 + CHS2 <=> CH2S2 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0319,'cm^3/(mol*s)'), n=4.34, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20328,8 +20195,8 @@ ) entry( - index = 1343, - label = "C5H8 + C3H3S-3 <=> C3H4S-3 + C5H7-3", + index = 1334, + label = "C5H8 + C3H3S-3 <=> C3H4S-3 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0153,'cm^3/(mol*s)'), n=4.34, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20341,8 +20208,8 @@ ) entry( - index = 1344, - label = "C5H8 + C3HS <=> C3H2S + C5H7-3", + index = 1335, + label = "C5H8 + C3HS <=> C3H2S + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0427,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20354,8 +20221,8 @@ ) entry( - index = 1345, - label = "H + C5H4 <=> H2 + C5H3", + index = 1336, + label = "H + C5H4-2 <=> H2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.798,'cm^3/(mol*s)'), n=4.34, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20367,8 +20234,8 @@ ) entry( - index = 1346, - label = "C5H4 + CH3_r3 <=> CH4b + C5H3", + index = 1337, + label = "C5H4-2 + CH3-2 <=> CH4-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01892,'cm^3/(mol*s)'), n=4.34, Ea=(44.8525,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20380,8 +20247,8 @@ ) entry( - index = 1347, - label = "C5H4 + C2H5 <=> C2H6 + C5H3", + index = 1338, + label = "C5H4-2 + C2H5-2 <=> C2H6-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00218,'cm^3/(mol*s)'), n=4.34, Ea=(28.1583,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20393,8 +20260,8 @@ ) entry( - index = 1348, - label = "C5H4 + C3H7 <=> C3H8 + C5H3", + index = 1339, + label = "C5H4-2 + C3H7-2 <=> C3H8-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00208,'cm^3/(mol*s)'), n=4.34, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20406,8 +20273,8 @@ ) entry( - index = 1349, - label = "C5H4 + C4H9-4 <=> iC4H10b + C5H3", + index = 1340, + label = "C5H4-2 + C4H9-5 <=> C4H10-5 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001714,'cm^3/(mol*s)'), n=4.34, Ea=(-10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20419,8 +20286,8 @@ ) entry( - index = 1350, - label = "C5H4 + C3H5 <=> C3H6 + C5H3", + index = 1341, + label = "C5H4-2 + C3H5-3 <=> C3H6-3 + C5H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00688,'cm^3/(mol*s)'), n=4.34, Ea=(82.1319,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20432,8 +20299,8 @@ ) entry( - index = 1351, - label = "C5H4 + C4H7-4 <=> C4H8-4 + C5H3", + index = 1342, + label = "C5H4-2 + C4H7-10 <=> C4H8-10 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001754,'cm^3/(mol*s)'), n=4.34, Ea=(70.2494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20445,8 +20312,8 @@ ) entry( - index = 1352, - label = "C5H4 + C5H9-5 <=> C5H10-3 + C5H3", + index = 1343, + label = "C5H4-2 + C5H9-6 <=> C5H10-6 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000224,'cm^3/(mol*s)'), n=4.34, Ea=(65.7306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20458,8 +20325,8 @@ ) entry( - index = 1353, - label = "C5H4 + C5H7-2 <=> C5H8-2 + C5H3", + index = 1344, + label = "C5H4-2 + C5H7-2 <=> C5H8-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0007,'cm^3/(mol*s)'), n=4.34, Ea=(108.449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20471,8 +20338,8 @@ ) entry( - index = 1354, - label = "C5H4 + C6H9 <=> C6H10 + C5H3", + index = 1345, + label = "C5H4-2 + C6H9 <=> C6H10 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.58e-05,'cm^3/(mol*s)'), n=4.34, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20484,8 +20351,8 @@ ) entry( - index = 1355, - label = "C5H4 + C3H3-2 <=> C3H4 + C5H3", + index = 1346, + label = "C5H4-2 + C3H3-3 <=> C3H4-3 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01084,'cm^3/(mol*s)'), n=4.34, Ea=(77.1111,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20497,8 +20364,8 @@ ) entry( - index = 1356, - label = "C5H4 + C4H5-5 <=> C4H6 + C5H3", + index = 1347, + label = "C5H4-2 + C4H5-6 <=> C4H6-6 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00294,'cm^3/(mol*s)'), n=4.34, Ea=(64.2662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20510,8 +20377,8 @@ ) entry( - index = 1357, - label = "C5H7-3 + C5H4 <=> C5H8 + C5H3", + index = 1348, + label = "C5H7-3 + C5H4-2 <=> C5H8-3 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000906,'cm^3/(mol*s)'), n=4.34, Ea=(62.1324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20523,8 +20390,8 @@ ) entry( - index = 1358, - label = "C5H4 + C6H5-2 <=> C6H6-2 + C5H3", + index = 1349, + label = "C5H4-2 + C6H5-3 <=> C6H6-3 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000268,'cm^3/(mol*s)'), n=4.34, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20536,8 +20403,8 @@ ) entry( - index = 1359, - label = "C5H4 + C7H7 <=> C7H8 + C5H3", + index = 1350, + label = "C5H4-2 + C7H7-5 <=> C7H8-5 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0032,'cm^3/(mol*s)'), n=4.34, Ea=(71.3037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20549,8 +20416,8 @@ ) entry( - index = 1360, - label = "C5H4 + C8H9 <=> C8H10 + C5H3", + index = 1351, + label = "C5H4-2 + C8H9-2 <=> C8H10-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001106,'cm^3/(mol*s)'), n=4.34, Ea=(60.3584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20562,8 +20429,8 @@ ) entry( - index = 1361, - label = "C5H4 + C9H11 <=> C9H12 + C5H3", + index = 1352, + label = "C5H4-2 + C9H11-2 <=> C9H12-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(4.46e-05,'cm^3/(mol*s)'), n=4.34, Ea=(61.965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20575,8 +20442,8 @@ ) entry( - index = 1362, - label = "C5H4 + C2H3 <=> C2H4 + C5H3", + index = 1353, + label = "C5H4-2 + C2H3 <=> C2H4 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0204,'cm^3/(mol*s)'), n=4.34, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20588,8 +20455,8 @@ ) entry( - index = 1363, - label = "C5H4 + C3H5-2 <=> C3H6-2 + C5H3", + index = 1354, + label = "C5H4-2 + C3H5-2 <=> C3H6-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00946,'cm^3/(mol*s)'), n=4.34, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20601,8 +20468,8 @@ ) entry( - index = 1364, - label = "C5H4 + C4H5-3 <=> C4H6-4 + C5H3", + index = 1355, + label = "C5H4-2 + C4H5-7 <=> C4H6-7 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00942,'cm^3/(mol*s)'), n=4.34, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20614,8 +20481,8 @@ ) entry( - index = 1365, - label = "C5H4 + C6H5 <=> C6H6 + C5H3", + index = 1356, + label = "C5H4-2 + C6H5-2 <=> C6H6-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.026,'cm^3/(mol*s)'), n=4.34, Ea=(-23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20627,8 +20494,8 @@ ) entry( - index = 1366, - label = "C4H3 + C5H4 <=> C4H4 + C5H3", + index = 1357, + label = "C4H3-2 + C5H4-2 <=> C4H4-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00222,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20640,8 +20507,8 @@ ) entry( - index = 1367, - label = "C5H4 + CH3S-2 <=> CH3SH_r2 + C5H3", + index = 1358, + label = "C5H4-2 + CH3S-4 <=> CH4S-4 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00474,'cm^3/(mol*s)'), n=4.34, Ea=(52.4674,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20653,8 +20520,8 @@ ) entry( - index = 1368, - label = "C5H4 + C2H5S <=> C2H6S + C5H3", + index = 1359, + label = "C5H4-2 + C2H5S <=> C2H6S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0109,'cm^3/(mol*s)'), n=4.34, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20666,8 +20533,8 @@ ) entry( - index = 1369, - label = "C5H4 + C3H7S <=> C3H8S + C5H3", + index = 1360, + label = "C5H4-2 + C3H7S <=> C3H8S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00518,'cm^3/(mol*s)'), n=4.34, Ea=(-12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20679,8 +20546,8 @@ ) entry( - index = 1370, - label = "C5H4 + C2H3S-2 <=> C2H4S-2 + C5H3", + index = 1361, + label = "C5H4-2 + C2H3S-2 <=> C2H4S-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00278,'cm^3/(mol*s)'), n=4.34, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20692,8 +20559,8 @@ ) entry( - index = 1371, - label = "C5H4 + C3H5S <=> C3H6S + C5H3", + index = 1362, + label = "C5H4-2 + C3H5S-3 <=> C3H6S-3 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00356,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20705,8 +20572,8 @@ ) entry( - index = 1372, - label = "C5H4 + C4H7S <=> C4H8S + C5H3", + index = 1363, + label = "C5H4-2 + C4H7S <=> C4H8S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001344,'cm^3/(mol*s)'), n=4.34, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20718,8 +20585,8 @@ ) entry( - index = 1373, - label = "C5H4 + C2H3S-3 <=> C2H4S-3 + C5H3", + index = 1364, + label = "C5H4-2 + C2H3S-3 <=> C2H4S-3 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00218,'cm^3/(mol*s)'), n=4.34, Ea=(-40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20731,8 +20598,8 @@ ) entry( - index = 1374, - label = "C5H4 + C3H3S <=> C3H4S + C5H3", + index = 1365, + label = "C5H4-2 + C3H3S <=> C3H4S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0816,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20744,8 +20611,8 @@ ) entry( - index = 1375, - label = "C5H4 + C3H5S-2 <=> C3H6S-2 + C5H3", + index = 1366, + label = "C5H4-2 + C3H5S-4 <=> C3H6S-4 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00516,'cm^3/(mol*s)'), n=4.34, Ea=(86.9435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20757,8 +20624,8 @@ ) entry( - index = 1376, - label = "C5H4 + C4H7S-2 <=> C4H8S-2 + C5H3", + index = 1367, + label = "C5H4-2 + C4H7S-2 <=> C4H8S-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000544,'cm^3/(mol*s)'), n=4.34, Ea=(82.4666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20770,8 +20637,8 @@ ) entry( - index = 1377, - label = "C5H4 + C2H3S2 <=> C2H4S2 + C5H3", + index = 1368, + label = "C5H4-2 + C2H3S2 <=> C2H4S2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.027,'cm^3/(mol*s)'), n=4.34, Ea=(134.934,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20783,8 +20650,8 @@ ) entry( - index = 1378, - label = "C5H4 + C3H5S2 <=> C3H6S2 + C5H3", + index = 1369, + label = "C5H4-2 + C3H5S2 <=> C3H6S2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0059,'cm^3/(mol*s)'), n=4.34, Ea=(133.679,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20796,8 +20663,8 @@ ) entry( - index = 1379, - label = "C5H4 + C3H3 <=> C3H4-1 + C5H3", + index = 1370, + label = "C5H4-2 + C3H3-4 <=> C3H4-4 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0039,'cm^3/(mol*s)'), n=4.34, Ea=(51.0866,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20809,8 +20676,8 @@ ) entry( - index = 1380, - label = "C5H4 + C3H3S-2 <=> C3H4S-2 + C5H3", + index = 1371, + label = "C5H4-2 + C3H3S-2 <=> C3H4S-2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01612,'cm^3/(mol*s)'), n=4.34, Ea=(70.4586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20822,8 +20689,8 @@ ) entry( - index = 1381, - label = "C4H5S + C5H4 <=> C4H6S + C5H3", + index = 1372, + label = "C4H5S + C5H4-2 <=> C4H6S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0052,'cm^3/(mol*s)'), n=4.34, Ea=(65.8562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20835,8 +20702,8 @@ ) entry( - index = 1382, - label = "C5H4 + C7H7S <=> C7H8S + C5H3", + index = 1373, + label = "C5H4-2 + C7H7S <=> C7H8S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001234,'cm^3/(mol*s)'), n=4.34, Ea=(74.4334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20848,8 +20715,8 @@ ) entry( - index = 1383, - label = "C5H4 + C8H9S <=> C8H10S + C5H3", + index = 1374, + label = "C5H4-2 + C8H9S <=> C8H10S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000366,'cm^3/(mol*s)'), n=4.34, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20861,8 +20728,8 @@ ) entry( - index = 1384, - label = "CHS + C5H4 <=> CH2S + C5H3", + index = 1375, + label = "CHS + C5H4-2 <=> CH2S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0704,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20874,8 +20741,8 @@ ) entry( - index = 1385, - label = "C5H4 + C2H3S <=> C2H4S + C5H3", + index = 1376, + label = "C5H4-2 + C2H3S-4 <=> C2H4S-4 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0368,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20887,8 +20754,8 @@ ) entry( - index = 1386, - label = "C5H4 + CHS2 <=> CH2S2 + C5H3", + index = 1377, + label = "C5H4-2 + CHS2 <=> CH2S2 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0524,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20900,8 +20767,8 @@ ) entry( - index = 1387, - label = "C5H4 + C3H3S-3 <=> C3H4S-3 + C5H3", + index = 1378, + label = "C5H4-2 + C3H3S-3 <=> C3H4S-3 + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0294,'cm^3/(mol*s)'), n=4.34, Ea=(47.6976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20913,8 +20780,8 @@ ) entry( - index = 1388, - label = "C5H4 + C3HS <=> C3H2S + C5H3", + index = 1379, + label = "C5H4-2 + C3HS <=> C3H2S + C5H3-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0824,'cm^3/(mol*s)'), n=4.34, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20926,8 +20793,8 @@ ) entry( - index = 1389, - label = "H + C6H6-2 <=> H2 + C6H5-2", + index = 1380, + label = "H + C6H6-4 <=> H2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.44,'cm^3/(mol*s)'), n=4.34, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20939,8 +20806,8 @@ ) entry( - index = 1390, - label = "C6H6-2 + CH3_r3 <=> CH4b + C6H5-2", + index = 1381, + label = "C6H6-4 + CH3-2 <=> CH4-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0104,'cm^3/(mol*s)'), n=4.34, Ea=(47.321,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20952,8 +20819,8 @@ ) entry( - index = 1391, - label = "C6H6-2 + C2H5 <=> C2H6 + C6H5-2", + index = 1382, + label = "C6H6-4 + C2H5-2 <=> C2H6-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000985,'cm^3/(mol*s)'), n=4.34, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20965,8 +20832,8 @@ ) entry( - index = 1392, - label = "C6H6-2 + C3H7 <=> C3H8 + C6H5-2", + index = 1383, + label = "C6H6-4 + C3H7-2 <=> C3H8-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000764,'cm^3/(mol*s)'), n=4.34, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20978,8 +20845,8 @@ ) entry( - index = 1393, - label = "C6H6-2 + C4H9-4 <=> iC4H10b + C6H5-2", + index = 1384, + label = "C6H6-4 + C4H9-5 <=> C4H10-5 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000515,'cm^3/(mol*s)'), n=4.34, Ea=(-16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -20991,8 +20858,8 @@ ) entry( - index = 1394, - label = "C6H6-2 + C3H5 <=> C3H6 + C6H5-2", + index = 1385, + label = "C6H6-4 + C3H5-3 <=> C3H6-3 + C6H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00312,'cm^3/(mol*s)'), n=4.34, Ea=(84.6005,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21004,8 +20871,8 @@ ) entry( - index = 1395, - label = "C6H6-2 + C4H7-4 <=> C4H8-4 + C6H5-2", + index = 1386, + label = "C6H6-4 + C4H7-10 <=> C4H8-10 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000648,'cm^3/(mol*s)'), n=4.34, Ea=(72.7179,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21017,8 +20884,8 @@ ) entry( - index = 1396, - label = "C6H6-2 + C5H9-5 <=> C5H10-3 + C6H5-2", + index = 1387, + label = "C6H6-4 + C5H9-6 <=> C5H10-6 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(6.76e-05,'cm^3/(mol*s)'), n=4.34, Ea=(68.1992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21030,8 +20897,8 @@ ) entry( - index = 1397, - label = "C6H6-2 + C5H7-2 <=> C5H8-2 + C6H5-2", + index = 1388, + label = "C6H6-4 + C5H7-2 <=> C5H8-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00026,'cm^3/(mol*s)'), n=4.34, Ea=(110.918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21043,8 +20910,8 @@ ) entry( - index = 1398, - label = "C6H6-2 + C6H9 <=> C6H10 + C6H5-2", + index = 1389, + label = "C6H6-4 + C6H9 <=> C6H10 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(7.8e-06,'cm^3/(mol*s)'), n=4.34, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21056,8 +20923,8 @@ ) entry( - index = 1399, - label = "C6H6-2 + C3H3-2 <=> C3H4 + C6H5-2", + index = 1390, + label = "C6H6-4 + C3H3-3 <=> C3H4-3 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00491,'cm^3/(mol*s)'), n=4.34, Ea=(79.5797,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21069,8 +20936,8 @@ ) entry( - index = 1400, - label = "C6H6-2 + C4H5-5 <=> C4H6 + C6H5-2", + index = 1391, + label = "C6H6-4 + C4H5-6 <=> C4H6-6 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00108,'cm^3/(mol*s)'), n=4.34, Ea=(66.7348,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21082,8 +20949,8 @@ ) entry( - index = 1401, - label = "C6H6-2 + C5H7-3 <=> C5H8 + C6H5-2", + index = 1392, + label = "C6H6-4 + C5H7-3 <=> C5H8-3 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000273,'cm^3/(mol*s)'), n=4.34, Ea=(64.601,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21095,8 +20962,8 @@ ) entry( - index = 1402, - label = "C5H3 + C6H6-2 <=> C5H4 + C6H5-2", + index = 1393, + label = "C5H3 + C6H6-4 <=> C5H4 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00299,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21108,8 +20975,8 @@ ) entry( - index = 1403, - label = "C6H6-2 + C7H7 <=> C7H8 + C6H5-2", + index = 1394, + label = "C6H6-4 + C7H7-5 <=> C7H8-5 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00145,'cm^3/(mol*s)'), n=4.34, Ea=(73.7723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21121,8 +20988,8 @@ ) entry( - index = 1404, - label = "C6H6-2 + C8H9 <=> C8H10 + C6H5-2", + index = 1395, + label = "C6H6-4 + C8H9-2 <=> C8H10-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000409,'cm^3/(mol*s)'), n=4.34, Ea=(62.8269,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21134,8 +21001,8 @@ ) entry( - index = 1405, - label = "C6H6-2 + C9H11 <=> C9H12 + C6H5-2", + index = 1396, + label = "C6H6-4 + C9H11-2 <=> C9H12-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(1.35e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21147,8 +21014,8 @@ ) entry( - index = 1406, - label = "C6H6-2 + C2H3 <=> C2H4 + C6H5-2", + index = 1397, + label = "C6H6-4 + C2H3 <=> C2H4 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0113,'cm^3/(mol*s)'), n=4.34, Ea=(-15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21160,8 +21027,8 @@ ) entry( - index = 1407, - label = "C6H6-2 + C3H5-2 <=> C3H6-2 + C6H5-2", + index = 1398, + label = "C6H6-4 + C3H5-2 <=> C3H6-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00426,'cm^3/(mol*s)'), n=4.34, Ea=(-22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21173,8 +21040,8 @@ ) entry( - index = 1408, - label = "C6H6-2 + C4H5-3 <=> C4H6-4 + C6H5-2", + index = 1399, + label = "C6H6-4 + C4H5-7 <=> C4H6-7 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00519,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21186,8 +21053,8 @@ ) entry( - index = 1409, - label = "C6H6-2 + C6H5 <=> C6H6 + C6H5-2", + index = 1400, + label = "C6H6-4 + C6H5-2 <=> C6H6-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0143,'cm^3/(mol*s)'), n=4.34, Ea=(-27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21199,8 +21066,8 @@ ) entry( - index = 1410, - label = "C6H6-2 + C4H3 <=> C4H4 + C6H5-2", + index = 1401, + label = "C6H6-4 + C4H3-2 <=> C4H4-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00122,'cm^3/(mol*s)'), n=4.34, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21212,8 +21079,8 @@ ) entry( - index = 1411, - label = "C6H6-2 + CH3S-2 <=> CH3SH_r2 + C6H5-2", + index = 1402, + label = "C6H6-4 + CH3S-4 <=> CH4S-4 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00252,'cm^3/(mol*s)'), n=4.34, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21225,8 +21092,8 @@ ) entry( - index = 1412, - label = "C6H6-2 + C2H5S <=> C2H6S + C6H5-2", + index = 1403, + label = "C6H6-4 + C2H5S <=> C2H6S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00473,'cm^3/(mol*s)'), n=4.34, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21238,8 +21105,8 @@ ) entry( - index = 1413, - label = "C6H6-2 + C3H7S <=> C3H8S + C6H5-2", + index = 1404, + label = "C6H6-4 + C3H7S <=> C3H8S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00184,'cm^3/(mol*s)'), n=4.34, Ea=(-21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21251,8 +21118,8 @@ ) entry( - index = 1414, - label = "C6H6-2 + C2H3S-2 <=> C2H4S-2 + C6H5-2", + index = 1405, + label = "C6H6-4 + C2H3S-2 <=> C2H4S-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00105,'cm^3/(mol*s)'), n=4.34, Ea=(30.8361,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21264,8 +21131,8 @@ ) entry( - index = 1415, - label = "C6H6-2 + C3H5S <=> C3H6S + C6H5-2", + index = 1406, + label = "C6H6-4 + C3H5S-3 <=> C3H6S-3 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00109,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21277,8 +21144,8 @@ ) entry( - index = 1416, - label = "C6H6-2 + C4H7S <=> C4H8S + C6H5-2", + index = 1407, + label = "C6H6-4 + C4H7S <=> C4H8S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000338,'cm^3/(mol*s)'), n=4.34, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21290,8 +21157,8 @@ ) entry( - index = 1417, - label = "C6H6-2 + C2H3S-3 <=> C2H4S-3 + C6H5-2", + index = 1408, + label = "C6H6-4 + C2H3S-3 <=> C2H4S-3 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000825,'cm^3/(mol*s)'), n=4.34, Ea=(-51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21303,8 +21170,8 @@ ) entry( - index = 1418, - label = "C6H6-2 + C3H3S <=> C3H4S + C6H5-2", + index = 1409, + label = "C6H6-4 + C3H3S <=> C3H4S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.045,'cm^3/(mol*s)'), n=4.34, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21316,8 +21183,8 @@ ) entry( - index = 1419, - label = "C6H6-2 + C3H5S-2 <=> C3H6S-2 + C6H5-2", + index = 1410, + label = "C6H6-4 + C3H5S-4 <=> C3H6S-4 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00225,'cm^3/(mol*s)'), n=4.34, Ea=(89.4121,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21329,8 +21196,8 @@ ) entry( - index = 1420, - label = "C6H6-2 + C4H7S-2 <=> C4H8S-2 + C6H5-2", + index = 1411, + label = "C6H6-4 + C4H7S-2 <=> C4H8S-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000194,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21342,8 +21209,8 @@ ) entry( - index = 1421, - label = "C6H6-2 + C2H3S2 <=> C2H4S2 + C6H5-2", + index = 1412, + label = "C6H6-4 + C2H3S2 <=> C2H4S2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00985,'cm^3/(mol*s)'), n=4.34, Ea=(137.403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21355,8 +21222,8 @@ ) entry( - index = 1422, - label = "C6H6-2 + C3H5S2 <=> C3H6S2 + C6H5-2", + index = 1413, + label = "C6H6-4 + C3H5S2 <=> C3H6S2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00175,'cm^3/(mol*s)'), n=4.34, Ea=(136.147,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21368,8 +21235,8 @@ ) entry( - index = 1423, - label = "C6H6-2 + C3H3S-2 <=> C3H4S-2 + C6H5-2", + index = 1414, + label = "C6H6-4 + C3H3S-2 <=> C3H4S-2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00703,'cm^3/(mol*s)'), n=4.34, Ea=(72.9271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21381,8 +21248,8 @@ ) entry( - index = 1424, - label = "C6H6-2 + C3H3 <=> C3H4-1 + C6H5-2", + index = 1415, + label = "C6H6-4 + C3H3-4 <=> C3H4-4 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00177,'cm^3/(mol*s)'), n=4.34, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21394,8 +21261,8 @@ ) entry( - index = 1425, - label = "C4H5S + C6H6-2 <=> C4H6S + C6H5-2", + index = 1416, + label = "C4H5S + C6H6-4 <=> C4H6S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00185,'cm^3/(mol*s)'), n=4.34, Ea=(68.3247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21407,8 +21274,8 @@ ) entry( - index = 1426, - label = "C6H6-2 + C7H7S <=> C7H8S + C6H5-2", + index = 1417, + label = "C6H6-4 + C7H7S <=> C7H8S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000538,'cm^3/(mol*s)'), n=4.34, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21420,8 +21287,8 @@ ) entry( - index = 1427, - label = "C6H6-2 + C8H9S <=> C8H10S + C6H5-2", + index = 1418, + label = "C6H6-4 + C8H9S <=> C8H10S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00013,'cm^3/(mol*s)'), n=4.34, Ea=(-15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21433,8 +21300,8 @@ ) entry( - index = 1428, - label = "CHS + C6H6-2 <=> CH2S + C6H5-2", + index = 1419, + label = "CHS + C6H6-4 <=> CH2S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0388,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21446,8 +21313,8 @@ ) entry( - index = 1429, - label = "C6H6-2 + C2H3S <=> C2H4S + C6H5-2", + index = 1420, + label = "C6H6-4 + C2H3S-4 <=> C2H4S-4 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0166,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21459,8 +21326,8 @@ ) entry( - index = 1430, - label = "C6H6-2 + CHS2 <=> CH2S2 + C6H5-2", + index = 1421, + label = "C6H6-4 + CHS2 <=> CH2S2 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0279,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21472,8 +21339,8 @@ ) entry( - index = 1431, - label = "C6H6-2 + C3H3S-3 <=> C3H4S-3 + C6H5-2", + index = 1422, + label = "C6H6-4 + C3H3S-3 <=> C3H4S-3 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0162,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21485,8 +21352,8 @@ ) entry( - index = 1432, - label = "C3HS + C6H6-2 <=> C3H2S + C6H5-2", + index = 1423, + label = "C3HS + C6H6-4 <=> C3H2S + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0454,'cm^3/(mol*s)'), n=4.34, Ea=(58.1576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21498,7 +21365,7 @@ ) entry( - index = 1433, + index = 1424, label = "H + C7H8 <=> H2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.2214,'cm^3/(mol*s)'), n=4.34, Ea=(18.4096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21511,8 +21378,8 @@ ) entry( - index = 1434, - label = "CH3_r3 + C7H8 <=> CH4b + C7H7", + index = 1425, + label = "CH3-2 + C7H8 <=> CH4-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00525,'cm^3/(mol*s)'), n=4.34, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21524,8 +21391,8 @@ ) entry( - index = 1435, - label = "C2H5 + C7H8 <=> C2H6 + C7H7", + index = 1426, + label = "C2H5-2 + C7H8 <=> C2H6-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000738,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21537,8 +21404,8 @@ ) entry( - index = 1436, - label = "C7H8 + C3H7 <=> C3H8 + C7H7", + index = 1427, + label = "C7H8 + C3H7-2 <=> C3H8-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000855,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21550,8 +21417,8 @@ ) entry( - index = 1437, - label = "C7H8 + C4H9-4 <=> iC4H10b + C7H7", + index = 1428, + label = "C7H8 + C4H9-5 <=> C4H10-5 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000861,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21563,8 +21430,8 @@ ) entry( - index = 1438, - label = "C3H5 + C7H8 <=> C3H6 + C7H7", + index = 1429, + label = "C3H5-3 + C7H8 <=> C3H6-3 + C7H7", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00738,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21576,8 +21443,8 @@ ) entry( - index = 1439, - label = "C4H7-4 + C7H8 <=> C4H8-4 + C7H7", + index = 1430, + label = "C4H7-10 + C7H8 <=> C4H8-10 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002283,'cm^3/(mol*s)'), n=4.34, Ea=(67.3624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21589,8 +21456,8 @@ ) entry( - index = 1440, - label = "C5H9-5 + C7H8 <=> C5H10-3 + C7H7", + index = 1431, + label = "C5H9-6 + C7H8 <=> C5H10-6 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000357,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21602,7 +21469,7 @@ ) entry( - index = 1441, + index = 1432, label = "C5H7-2 + C7H8 <=> C5H8-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00288,'cm^3/(mol*s)'), n=4.34, Ea=(90.3744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21615,7 +21482,7 @@ ) entry( - index = 1442, + index = 1433, label = "C6H9 + C7H8 <=> C6H10 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0001293,'cm^3/(mol*s)'), n=4.34, Ea=(87.4456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21628,8 +21495,8 @@ ) entry( - index = 1443, - label = "C3H3-2 + C7H8 <=> C3H4 + C7H7", + index = 1434, + label = "C3H3-3 + C7H8 <=> C3H4-3 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001881,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21641,8 +21508,8 @@ ) entry( - index = 1444, - label = "C4H5-5 + C7H8 <=> C4H6 + C7H7", + index = 1435, + label = "C4H5-6 + C7H8 <=> C4H6-6 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000618,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21654,8 +21521,8 @@ ) entry( - index = 1445, - label = "C5H7-3 + C7H8 <=> C5H8 + C7H7", + index = 1436, + label = "C5H7-3 + C7H8 <=> C5H8-3 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002331,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21667,7 +21534,7 @@ ) entry( - index = 1446, + index = 1437, label = "C5H3 + C7H8 <=> C5H4 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000876,'cm^3/(mol*s)'), n=4.34, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21680,8 +21547,8 @@ ) entry( - index = 1447, - label = "C6H5-2 + C7H8 <=> C6H6-2 + C7H7", + index = 1438, + label = "C6H5-3 + C7H8 <=> C6H6-3 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(3.54e-05,'cm^3/(mol*s)'), n=4.34, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21693,8 +21560,8 @@ ) entry( - index = 1448, - label = "C7H8 + C8H9 <=> C8H10 + C7H7", + index = 1439, + label = "C7H8 + C8H9-2 <=> C8H10-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00144,'cm^3/(mol*s)'), n=4.34, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21706,8 +21573,8 @@ ) entry( - index = 1449, - label = "C7H8 + C9H11 <=> C9H12 + C7H7", + index = 1440, + label = "C7H8 + C9H11-2 <=> C9H12-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(7.08e-05,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21719,7 +21586,7 @@ ) entry( - index = 1450, + index = 1441, label = "C2H3 + C7H8 <=> C2H4 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00564,'cm^3/(mol*s)'), n=4.34, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21732,7 +21599,7 @@ ) entry( - index = 1451, + index = 1442, label = "C3H5-2 + C7H8 <=> C3H6-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00321,'cm^3/(mol*s)'), n=4.34, Ea=(7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21745,8 +21612,8 @@ ) entry( - index = 1452, - label = "C4H5-3 + C7H8 <=> C4H6-4 + C7H7", + index = 1443, + label = "C4H5-7 + C7H8 <=> C4H6-7 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00261,'cm^3/(mol*s)'), n=4.34, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21758,8 +21625,8 @@ ) entry( - index = 1453, - label = "C6H5 + C7H8 <=> C6H6 + C7H7", + index = 1444, + label = "C6H5-2 + C7H8 <=> C6H6-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0072,'cm^3/(mol*s)'), n=4.34, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21771,8 +21638,8 @@ ) entry( - index = 1454, - label = "C4H3 + C7H8 <=> C4H4 + C7H7", + index = 1445, + label = "C4H3-2 + C7H8 <=> C4H4-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000612,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21784,8 +21651,8 @@ ) entry( - index = 1455, - label = "CH3S-2 + C7H8 <=> CH3SH_r2 + C7H7", + index = 1446, + label = "CH3S-4 + C7H8 <=> CH4S-4 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001659,'cm^3/(mol*s)'), n=4.34, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21797,7 +21664,7 @@ ) entry( - index = 1456, + index = 1447, label = "C2H5S + C7H8 <=> C2H6S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00465,'cm^3/(mol*s)'), n=4.34, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21810,7 +21677,7 @@ ) entry( - index = 1457, + index = 1448, label = "C3H7S + C7H8 <=> C3H8S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0027,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21823,7 +21690,7 @@ ) entry( - index = 1458, + index = 1449, label = "C2H3S-2 + C7H8 <=> C2H4S-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002649,'cm^3/(mol*s)'), n=4.34, Ea=(68.6176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21836,8 +21703,8 @@ ) entry( - index = 1459, - label = "C3H5S + C7H8 <=> C3H6S + C7H7", + index = 1450, + label = "C3H5S-3 + C7H8 <=> C3H6S-3 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00411,'cm^3/(mol*s)'), n=4.34, Ea=(76.1488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21849,7 +21716,7 @@ ) entry( - index = 1460, + index = 1451, label = "C4H7S + C7H8 <=> C4H8S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001899,'cm^3/(mol*s)'), n=4.34, Ea=(82.0064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21862,7 +21729,7 @@ ) entry( - index = 1461, + index = 1452, label = "C2H3S-3 + C7H8 <=> C2H4S-3 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002082,'cm^3/(mol*s)'), n=4.34, Ea=(-10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21875,7 +21742,7 @@ ) entry( - index = 1462, + index = 1453, label = "C3H3S + C7H8 <=> C3H4S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02259,'cm^3/(mol*s)'), n=4.34, Ea=(72.3832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21888,8 +21755,8 @@ ) entry( - index = 1463, - label = "C3H5S-2 + C7H8 <=> C3H6S-2 + C7H7", + index = 1454, + label = "C3H5S-4 + C7H8 <=> C3H6S-4 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00696,'cm^3/(mol*s)'), n=4.34, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21901,7 +21768,7 @@ ) entry( - index = 1464, + index = 1455, label = "C4H7S-2 + C7H8 <=> C4H8S-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000894,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21914,7 +21781,7 @@ ) entry( - index = 1465, + index = 1456, label = "C2H3S2 + C7H8 <=> C2H4S2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0327,'cm^3/(mol*s)'), n=4.34, Ea=(97.4872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21927,7 +21794,7 @@ ) entry( - index = 1466, + index = 1457, label = "C3H5S2 + C7H8 <=> C3H6S2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00864,'cm^3/(mol*s)'), n=4.34, Ea=(98.324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21940,7 +21807,7 @@ ) entry( - index = 1467, + index = 1458, label = "C3H3S-2 + C7H8 <=> C3H4S-2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00354,'cm^3/(mol*s)'), n=4.34, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21953,7 +21820,7 @@ ) entry( - index = 1468, + index = 1459, label = "C4H5S + C7H8 <=> C4H6S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001389,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21966,8 +21833,8 @@ ) entry( - index = 1469, - label = "C3H3 + C7H8 <=> C3H4-1 + C7H7", + index = 1460, + label = "C3H3-4 + C7H8 <=> C3H4-4 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00417,'cm^3/(mol*s)'), n=4.34, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -21979,7 +21846,7 @@ ) entry( - index = 1470, + index = 1461, label = "C7H7S + C7H8 <=> C7H8S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001668,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -21992,7 +21859,7 @@ ) entry( - index = 1471, + index = 1462, label = "C8H9S + C7H8 <=> C8H10S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000603,'cm^3/(mol*s)'), n=4.34, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22005,7 +21872,7 @@ ) entry( - index = 1472, + index = 1463, label = "CHS + C7H8 <=> CH2S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01947,'cm^3/(mol*s)'), n=4.34, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22018,8 +21885,8 @@ ) entry( - index = 1473, - label = "C7H8 + C2H3S <=> C2H4S + C7H7", + index = 1464, + label = "C7H8 + C2H3S-4 <=> C2H4S-4 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01242,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22031,7 +21898,7 @@ ) entry( - index = 1474, + index = 1465, label = "CHS2 + C7H8 <=> CH2S2 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01836,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22044,7 +21911,7 @@ ) entry( - index = 1475, + index = 1466, label = "C3H3S-3 + C7H8 <=> C3H4S-3 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00816,'cm^3/(mol*s)'), n=4.34, Ea=(67.3624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22057,7 +21924,7 @@ ) entry( - index = 1476, + index = 1467, label = "C3HS + C7H8 <=> C3H2S + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02283,'cm^3/(mol*s)'), n=4.34, Ea=(82.4248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22070,7 +21937,7 @@ ) entry( - index = 1477, + index = 1468, label = "H + C8H10 <=> H2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.218,'cm^3/(mol*s)'), n=4.34, Ea=(10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22083,8 +21950,8 @@ ) entry( - index = 1478, - label = "CH3_r3 + C8H10 <=> CH4b + C8H9", + index = 1469, + label = "CH3-2 + C8H10 <=> CH4-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00516,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22096,8 +21963,8 @@ ) entry( - index = 1479, - label = "C2H5 + C8H10 <=> C2H6 + C8H9", + index = 1470, + label = "C2H5-2 + C8H10 <=> C2H6-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000594,'cm^3/(mol*s)'), n=4.34, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22109,8 +21976,8 @@ ) entry( - index = 1480, - label = "C8H10 + C3H7 <=> C3H8 + C8H9", + index = 1471, + label = "C8H10 + C3H7-2 <=> C3H8-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000562,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22122,8 +21989,8 @@ ) entry( - index = 1481, - label = "C8H10 + C4H9-4 <=> iC4H10b + C8H9", + index = 1472, + label = "C8H10 + C4H9-5 <=> C4H10-5 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00046,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22135,8 +22002,8 @@ ) entry( - index = 1482, - label = "C3H5 + C8H10 <=> C3H6 + C8H9", + index = 1473, + label = "C3H5-3 + C8H10 <=> C3H6-3 + C8H9", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00596,'cm^3/(mol*s)'), n=4.34, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22148,8 +22015,8 @@ ) entry( - index = 1483, - label = "C4H7-4 + C8H10 <=> C4H8-4 + C8H9", + index = 1474, + label = "C4H7-10 + C8H10 <=> C4H8-10 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001506,'cm^3/(mol*s)'), n=4.34, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22161,8 +22028,8 @@ ) entry( - index = 1484, - label = "C5H9-5 + C8H10 <=> C5H10-3 + C8H9", + index = 1475, + label = "C5H9-6 + C8H10 <=> C5H10-6 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001916,'cm^3/(mol*s)'), n=4.34, Ea=(51.4632,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22174,7 +22041,7 @@ ) entry( - index = 1485, + index = 1476, label = "C5H7-2 + C8H10 <=> C5H8-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001908,'cm^3/(mol*s)'), n=4.34, Ea=(73.6384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22187,7 +22054,7 @@ ) entry( - index = 1486, + index = 1477, label = "C6H9 + C8H10 <=> C6H10 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(6.98e-05,'cm^3/(mol*s)'), n=4.34, Ea=(70.2912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22200,8 +22067,8 @@ ) entry( - index = 1487, - label = "C3H3-2 + C8H10 <=> C3H4 + C8H9", + index = 1478, + label = "C3H3-3 + C8H10 <=> C3H4-3 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001518,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22213,8 +22080,8 @@ ) entry( - index = 1488, - label = "C4H5-5 + C8H10 <=> C4H6 + C8H9", + index = 1479, + label = "C4H5-6 + C8H10 <=> C4H6-6 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000408,'cm^3/(mol*s)'), n=4.34, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22226,8 +22093,8 @@ ) entry( - index = 1489, - label = "C5H7-3 + C8H10 <=> C5H8 + C8H9", + index = 1480, + label = "C5H7-3 + C8H10 <=> C5H8-3 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001256,'cm^3/(mol*s)'), n=4.34, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22239,7 +22106,7 @@ ) entry( - index = 1490, + index = 1481, label = "C5H3 + C8H10 <=> C5H4 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00058,'cm^3/(mol*s)'), n=4.34, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22252,8 +22119,8 @@ ) entry( - index = 1491, - label = "C6H5-2 + C8H10 <=> C6H6-2 + C8H9", + index = 1482, + label = "C6H5-3 + C8H10 <=> C6H6-3 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(1.91e-05,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22265,8 +22132,8 @@ ) entry( - index = 1492, - label = "C7H7 + C8H10 <=> C7H8 + C8H9", + index = 1483, + label = "C7H7-5 + C8H10 <=> C7H8-5 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00276,'cm^3/(mol*s)'), n=4.34, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22278,8 +22145,8 @@ ) entry( - index = 1493, - label = "C9H11 + C8H10 <=> C9H12 + C8H9", + index = 1484, + label = "C9H11-2 + C8H10 <=> C9H12-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(3.82e-05,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22291,7 +22158,7 @@ ) entry( - index = 1494, + index = 1485, label = "C2H3 + C8H10 <=> C2H4 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00556,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22304,7 +22171,7 @@ ) entry( - index = 1495, + index = 1486, label = "C3H5-2 + C8H10 <=> C3H6-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00258,'cm^3/(mol*s)'), n=4.34, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22317,8 +22184,8 @@ ) entry( - index = 1496, - label = "C4H5-3 + C8H10 <=> C4H6-4 + C8H9", + index = 1487, + label = "C4H5-7 + C8H10 <=> C4H6-7 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00256,'cm^3/(mol*s)'), n=4.34, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22330,8 +22197,8 @@ ) entry( - index = 1497, - label = "C6H5 + C8H10 <=> C6H6 + C8H9", + index = 1488, + label = "C6H5-2 + C8H10 <=> C6H6-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00708,'cm^3/(mol*s)'), n=4.34, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22343,8 +22210,8 @@ ) entry( - index = 1498, - label = "C4H3 + C8H10 <=> C4H4 + C8H9", + index = 1489, + label = "C4H3-2 + C8H10 <=> C4H4-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000604,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22356,8 +22223,8 @@ ) entry( - index = 1499, - label = "CH3S-2 + C8H10 <=> CH3SH_r2 + C8H9", + index = 1490, + label = "CH3S-4 + C8H10 <=> CH4S-4 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001574,'cm^3/(mol*s)'), n=4.34, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22369,7 +22236,7 @@ ) entry( - index = 1500, + index = 1491, label = "C2H5S + C8H10 <=> C2H6S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0036,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22382,7 +22249,7 @@ ) entry( - index = 1501, + index = 1492, label = "C3H7S + C8H10 <=> C3H8S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001708,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22395,7 +22262,7 @@ ) entry( - index = 1502, + index = 1493, label = "C2H3S-2 + C8H10 <=> C2H4S-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001782,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22408,8 +22275,8 @@ ) entry( - index = 1503, - label = "C3H5S + C8H10 <=> C3H6S + C8H9", + index = 1494, + label = "C3H5S-3 + C8H10 <=> C3H6S-3 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00226,'cm^3/(mol*s)'), n=4.34, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22421,7 +22288,7 @@ ) entry( - index = 1504, + index = 1495, label = "C4H7S + C8H10 <=> C4H8S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000852,'cm^3/(mol*s)'), n=4.34, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22434,7 +22301,7 @@ ) entry( - index = 1505, + index = 1496, label = "C2H3S-3 + C8H10 <=> C2H4S-3 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0014,'cm^3/(mol*s)'), n=4.34, Ea=(-24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22447,7 +22314,7 @@ ) entry( - index = 1506, + index = 1497, label = "C3H3S + C8H10 <=> C3H4S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0222,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22460,8 +22327,8 @@ ) entry( - index = 1507, - label = "C3H5S-2 + C8H10 <=> C3H6S-2 + C8H9", + index = 1498, + label = "C3H5S-4 + C8H10 <=> C3H6S-4 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00542,'cm^3/(mol*s)'), n=4.34, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22473,7 +22340,7 @@ ) entry( - index = 1508, + index = 1499, label = "C4H7S-2 + C8H10 <=> C4H8S-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000568,'cm^3/(mol*s)'), n=4.34, Ea=(47.6976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22486,7 +22353,7 @@ ) entry( - index = 1509, + index = 1500, label = "C2H3S2 + C8H10 <=> C2H4S2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0212,'cm^3/(mol*s)'), n=4.34, Ea=(79.9144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22499,7 +22366,7 @@ ) entry( - index = 1510, + index = 1501, label = "C3H5S2 + C8H10 <=> C3H6S2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00458,'cm^3/(mol*s)'), n=4.34, Ea=(80.3328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22512,7 +22379,7 @@ ) entry( - index = 1511, + index = 1502, label = "C3H3S-2 + C8H10 <=> C3H4S-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00274,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22525,7 +22392,7 @@ ) entry( - index = 1512, + index = 1503, label = "C4H5S + C8H10 <=> C4H6S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000884,'cm^3/(mol*s)'), n=4.34, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22538,7 +22405,7 @@ ) entry( - index = 1513, + index = 1504, label = "C7H7S + C8H10 <=> C7H8S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001298,'cm^3/(mol*s)'), n=4.34, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22551,8 +22418,8 @@ ) entry( - index = 1514, - label = "C3H3 + C8H10 <=> C3H4-1 + C8H9", + index = 1505, + label = "C3H3-4 + C8H10 <=> C3H4-4 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00336,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22564,7 +22431,7 @@ ) entry( - index = 1515, + index = 1506, label = "C8H9S + C8H10 <=> C8H10S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000382,'cm^3/(mol*s)'), n=4.34, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22577,7 +22444,7 @@ ) entry( - index = 1516, + index = 1507, label = "CHS + C8H10 <=> CH2S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01918,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22590,8 +22457,8 @@ ) entry( - index = 1517, - label = "C8H10 + C2H3S <=> C2H4S + C8H9", + index = 1508, + label = "C8H10 + C2H3S-4 <=> C2H4S-4 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01,'cm^3/(mol*s)'), n=4.34, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22603,7 +22470,7 @@ ) entry( - index = 1518, + index = 1509, label = "CHS2 + C8H10 <=> CH2S2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01742,'cm^3/(mol*s)'), n=4.34, Ea=(43.932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22616,7 +22483,7 @@ ) entry( - index = 1519, + index = 1510, label = "C3H3S-3 + C8H10 <=> C3H4S-3 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00804,'cm^3/(mol*s)'), n=4.34, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22629,7 +22496,7 @@ ) entry( - index = 1520, + index = 1511, label = "C3HS + C8H10 <=> C3H2S + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0224,'cm^3/(mol*s)'), n=4.34, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22642,7 +22509,7 @@ ) entry( - index = 1521, + index = 1512, label = "H + C9H12 <=> H2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0948,'cm^3/(mol*s)'), n=4.34, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22655,8 +22522,8 @@ ) entry( - index = 1522, - label = "CH3_r3 + C9H12 <=> CH4b + C9H11", + index = 1513, + label = "CH3-2 + C9H12 <=> CH4-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00225,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22668,8 +22535,8 @@ ) entry( - index = 1523, - label = "C2H5 + C9H12 <=> C2H6 + C9H11", + index = 1514, + label = "C2H5-2 + C9H12 <=> C2H6-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000211,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22681,8 +22548,8 @@ ) entry( - index = 1524, - label = "C9H12 + C3H7 <=> C3H8 + C9H11", + index = 1515, + label = "C9H12 + C3H7-2 <=> C3H8-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000163,'cm^3/(mol*s)'), n=4.34, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22694,8 +22561,8 @@ ) entry( - index = 1525, - label = "C9H12 + C4H9-4 <=> iC4H10b + C9H11", + index = 1516, + label = "C9H12 + C4H9-5 <=> C4H10-5 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000109,'cm^3/(mol*s)'), n=4.34, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22707,8 +22574,8 @@ ) entry( - index = 1526, - label = "C3H5 + C9H12 <=> C3H6 + C9H11", + index = 1517, + label = "C3H5-3 + C9H12 <=> C3H6-3 + C9H11", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00212,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22720,8 +22587,8 @@ ) entry( - index = 1527, - label = "C4H7-4 + C9H12 <=> C4H8-4 + C9H11", + index = 1518, + label = "C4H7-10 + C9H12 <=> C4H8-10 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000439,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22733,8 +22600,8 @@ ) entry( - index = 1528, - label = "C5H9-5 + C9H12 <=> C5H10-3 + C9H11", + index = 1519, + label = "C5H9-6 + C9H12 <=> C5H10-6 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(4.56e-05,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22746,7 +22613,7 @@ ) entry( - index = 1529, + index = 1520, label = "C5H7-2 + C9H12 <=> C5H8-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000559,'cm^3/(mol*s)'), n=4.34, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22759,7 +22626,7 @@ ) entry( - index = 1530, + index = 1521, label = "C6H9 + C9H12 <=> C6H10 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(1.67e-05,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22772,8 +22639,8 @@ ) entry( - index = 1531, - label = "C3H3-2 + C9H12 <=> C3H4 + C9H11", + index = 1522, + label = "C3H3-3 + C9H12 <=> C3H4-3 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000542,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22785,8 +22652,8 @@ ) entry( - index = 1532, - label = "C4H5-5 + C9H12 <=> C4H6 + C9H11", + index = 1523, + label = "C4H5-6 + C9H12 <=> C4H6-6 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000119,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22798,8 +22665,8 @@ ) entry( - index = 1533, - label = "C5H7-3 + C9H12 <=> C5H8 + C9H11", + index = 1524, + label = "C5H7-3 + C9H12 <=> C5H8-3 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(2.99e-05,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22811,7 +22678,7 @@ ) entry( - index = 1534, + index = 1525, label = "C5H3 + C9H12 <=> C5H4 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00017,'cm^3/(mol*s)'), n=4.34, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22824,8 +22691,8 @@ ) entry( - index = 1535, - label = "C6H5-2 + C9H12 <=> C6H6-2 + C9H11", + index = 1526, + label = "C6H5-3 + C9H12 <=> C6H6-3 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(4.57e-06,'cm^3/(mol*s)'), n=4.34, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22837,8 +22704,8 @@ ) entry( - index = 1536, - label = "C7H7 + C9H12 <=> C7H8 + C9H11", + index = 1527, + label = "C7H7-5 + C9H12 <=> C7H8-5 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000985,'cm^3/(mol*s)'), n=4.34, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22850,8 +22717,8 @@ ) entry( - index = 1537, - label = "C8H9 + C9H12 <=> C8H10 + C9H11", + index = 1528, + label = "C8H9-2 + C9H12 <=> C8H10-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000277,'cm^3/(mol*s)'), n=4.34, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22863,7 +22730,7 @@ ) entry( - index = 1538, + index = 1529, label = "C2H3 + C9H12 <=> C2H4 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00242,'cm^3/(mol*s)'), n=4.34, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22876,7 +22743,7 @@ ) entry( - index = 1539, + index = 1530, label = "C3H5-2 + C9H12 <=> C3H6-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000914,'cm^3/(mol*s)'), n=4.34, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22889,8 +22756,8 @@ ) entry( - index = 1540, - label = "C4H5-3 + C9H12 <=> C4H6-4 + C9H11", + index = 1531, + label = "C4H5-7 + C9H12 <=> C4H6-7 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00112,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22902,8 +22769,8 @@ ) entry( - index = 1541, - label = "C6H5 + C9H12 <=> C6H6 + C9H11", + index = 1532, + label = "C6H5-2 + C9H12 <=> C6H6-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00308,'cm^3/(mol*s)'), n=4.34, Ea=(-15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22915,8 +22782,8 @@ ) entry( - index = 1542, - label = "C3H3 + C9H12 <=> C3H4-1 + C9H11", + index = 1533, + label = "C3H3-4 + C9H12 <=> C3H4-4 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0012,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22928,8 +22795,8 @@ ) entry( - index = 1543, - label = "CH3S-2 + C9H12 <=> CH3SH_r2 + C9H11", + index = 1534, + label = "CH3S-4 + C9H12 <=> CH4S-4 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00066,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22941,7 +22808,7 @@ ) entry( - index = 1544, + index = 1535, label = "C2H5S + C9H12 <=> C2H6S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00124,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22954,7 +22821,7 @@ ) entry( - index = 1545, + index = 1536, label = "C3H7S + C9H12 <=> C3H8S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000478,'cm^3/(mol*s)'), n=4.34, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22967,7 +22834,7 @@ ) entry( - index = 1546, + index = 1537, label = "C2H3S-2 + C9H12 <=> C2H4S-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00053,'cm^3/(mol*s)'), n=4.34, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -22980,8 +22847,8 @@ ) entry( - index = 1547, - label = "C3H5S + C9H12 <=> C3H6S + C9H11", + index = 1538, + label = "C3H5S-3 + C9H12 <=> C3H6S-3 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000551,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -22993,7 +22860,7 @@ ) entry( - index = 1548, + index = 1539, label = "C4H7S + C9H12 <=> C4H8S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000169,'cm^3/(mol*s)'), n=4.34, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23006,7 +22873,7 @@ ) entry( - index = 1549, + index = 1540, label = "C2H3S-3 + C9H12 <=> C2H4S-3 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000417,'cm^3/(mol*s)'), n=4.34, Ea=(-35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23019,7 +22886,7 @@ ) entry( - index = 1550, + index = 1541, label = "C3H3S + C9H12 <=> C3H4S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00968,'cm^3/(mol*s)'), n=4.34, Ea=(60.2496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23032,8 +22899,8 @@ ) entry( - index = 1551, - label = "C3H5S-2 + C9H12 <=> C3H6S-2 + C9H11", + index = 1542, + label = "C3H5S-4 + C9H12 <=> C3H6S-4 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00186,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23045,7 +22912,7 @@ ) entry( - index = 1552, + index = 1543, label = "C4H7S-2 + C9H12 <=> C4H8S-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00016,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23058,7 +22925,7 @@ ) entry( - index = 1553, + index = 1544, label = "C2H3S2 + C9H12 <=> C2H4S2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00606,'cm^3/(mol*s)'), n=4.34, Ea=(72.969,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23071,7 +22938,7 @@ ) entry( - index = 1554, + index = 1545, label = "C3H5S2 + C9H12 <=> C3H6S2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00107,'cm^3/(mol*s)'), n=4.34, Ea=(71.7138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23084,7 +22951,7 @@ ) entry( - index = 1555, + index = 1546, label = "C3H3S-2 + C9H12 <=> C3H4S-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000946,'cm^3/(mol*s)'), n=4.34, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23097,7 +22964,7 @@ ) entry( - index = 1556, + index = 1547, label = "C4H5S + C9H12 <=> C4H6S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000248,'cm^3/(mol*s)'), n=4.34, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23110,7 +22977,7 @@ ) entry( - index = 1557, + index = 1548, label = "C7H7S + C9H12 <=> C7H8S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000447,'cm^3/(mol*s)'), n=4.34, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23123,7 +22990,7 @@ ) entry( - index = 1558, + index = 1549, label = "C8H9S + C9H12 <=> C8H10S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000108,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23136,7 +23003,7 @@ ) entry( - index = 1559, + index = 1550, label = "CHS + C9H12 <=> CH2S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00835,'cm^3/(mol*s)'), n=4.34, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23149,8 +23016,8 @@ ) entry( - index = 1560, - label = "C4H3 + C9H12 <=> C4H4 + C9H11", + index = 1551, + label = "C4H3-2 + C9H12 <=> C4H4-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000263,'cm^3/(mol*s)'), n=4.34, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23162,8 +23029,8 @@ ) entry( - index = 1561, - label = "C9H12 + C2H3S <=> C2H4S + C9H11", + index = 1552, + label = "C9H12 + C2H3S-4 <=> C2H4S-4 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00355,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23175,7 +23042,7 @@ ) entry( - index = 1562, + index = 1553, label = "CHS2 + C9H12 <=> CH2S2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00731,'cm^3/(mol*s)'), n=4.34, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23188,7 +23055,7 @@ ) entry( - index = 1563, + index = 1554, label = "C3H3S-3 + C9H12 <=> C3H4S-3 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0035,'cm^3/(mol*s)'), n=4.34, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23201,7 +23068,7 @@ ) entry( - index = 1564, + index = 1555, label = "C3HS + C9H12 <=> C3H2S + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00978,'cm^3/(mol*s)'), n=4.34, Ea=(70.2912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -23214,8 +23081,8 @@ ) entry( - index = 1565, - label = "H + C2H4 <=> H2 + C2H3", + index = 1556, + label = "H + C2H4-2 <=> H2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.448,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23227,8 +23094,8 @@ ) entry( - index = 1566, - label = "CH3_r3 + C2H4 <=> CH4b + C2H3", + index = 1557, + label = "CH3-2 + C2H4-2 <=> CH4-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.03432,'cm^3/(mol*s)'), n=4.34, Ea=(86.6506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23240,8 +23107,8 @@ ) entry( - index = 1567, - label = "C2H4 + C3H7 <=> C3H8 + C2H3", + index = 1558, + label = "C2H4-2 + C3H7-2 <=> C3H8-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00832,'cm^3/(mol*s)'), n=4.34, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23253,8 +23120,8 @@ ) entry( - index = 1568, - label = "C2H4 + C4H9-4 <=> iC4H10b + C2H3", + index = 1559, + label = "C2H4-2 + C4H9-5 <=> C4H10-5 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01016,'cm^3/(mol*s)'), n=4.34, Ea=(54.4757,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23266,8 +23133,8 @@ ) entry( - index = 1569, - label = "C2H4 + C3H5 <=> C3H6 + C2H3", + index = 1560, + label = "C2H4-2 + C3H5-3 <=> C3H6-3 + C2H3-2", degeneracy = 8.0, kinetics = Arrhenius(A=(0.1856,'cm^3/(mol*s)'), n=4.34, Ea=(123.93,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23279,8 +23146,8 @@ ) entry( - index = 1570, - label = "C2H4 + C4H7-4 <=> C4H8-4 + C2H3", + index = 1561, + label = "C2H4-2 + C4H7-10 <=> C4H8-10 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.07,'cm^3/(mol*s)'), n=4.34, Ea=(112.048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23292,8 +23159,8 @@ ) entry( - index = 1571, - label = "C5H9-5 + C2H4 <=> C5H10-3 + C2H3", + index = 1562, + label = "C5H9-6 + C2H4-2 <=> C5H10-6 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01332,'cm^3/(mol*s)'), n=4.34, Ea=(107.529,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23305,8 +23172,8 @@ ) entry( - index = 1572, - label = "C5H7-2 + C2H4 <=> C5H8-2 + C2H3", + index = 1563, + label = "C5H7-2 + C2H4-2 <=> C5H8-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.28,'cm^3/(mol*s)'), n=4.34, Ea=(150.247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23318,8 +23185,8 @@ ) entry( - index = 1573, - label = "C2H4 + C6H9 <=> C6H10 + C2H3", + index = 1564, + label = "C2H4-2 + C6H9 <=> C6H10 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01532,'cm^3/(mol*s)'), n=4.34, Ea=(142.256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23331,8 +23198,8 @@ ) entry( - index = 1574, - label = "C3H3-2 + C2H4 <=> C3H4 + C2H3", + index = 1565, + label = "C3H3-3 + C2H4-2 <=> C3H4-3 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0472,'cm^3/(mol*s)'), n=4.34, Ea=(118.909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23344,8 +23211,8 @@ ) entry( - index = 1575, - label = "C4H5-5 + C2H4 <=> C4H6 + C2H3", + index = 1566, + label = "C4H5-6 + C2H4-2 <=> C4H6-6 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01904,'cm^3/(mol*s)'), n=4.34, Ea=(106.064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23357,8 +23224,8 @@ ) entry( - index = 1576, - label = "C5H7-3 + C2H4 <=> C5H8 + C2H3", + index = 1567, + label = "C5H7-3 + C2H4-2 <=> C5H8-3 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00872,'cm^3/(mol*s)'), n=4.34, Ea=(103.931,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23370,8 +23237,8 @@ ) entry( - index = 1577, - label = "C5H3 + C2H4 <=> C5H4 + C2H3", + index = 1568, + label = "C5H3 + C2H4-2 <=> C5H4 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0852,'cm^3/(mol*s)'), n=4.34, Ea=(116.315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23383,8 +23250,8 @@ ) entry( - index = 1578, - label = "C6H5-2 + C2H4 <=> C6H6-2 + C2H3", + index = 1569, + label = "C6H5-3 + C2H4-2 <=> C6H6-3 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0042,'cm^3/(mol*s)'), n=4.34, Ea=(120.918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23396,8 +23263,8 @@ ) entry( - index = 1579, - label = "C2H4 + C7H7 <=> C7H8 + C2H3", + index = 1570, + label = "C2H4-2 + C7H7-5 <=> C7H8-5 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.086,'cm^3/(mol*s)'), n=4.34, Ea=(113.102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23409,8 +23276,8 @@ ) entry( - index = 1580, - label = "C2H4 + C8H9 <=> C8H10 + C2H3", + index = 1571, + label = "C2H4-2 + C8H9-2 <=> C8H10-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0444,'cm^3/(mol*s)'), n=4.34, Ea=(102.157,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23422,8 +23289,8 @@ ) entry( - index = 1581, - label = "C2H4 + C9H11 <=> C9H12 + C2H3", + index = 1572, + label = "C2H4-2 + C9H11-2 <=> C9H12-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.002652,'cm^3/(mol*s)'), n=4.34, Ea=(103.763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23435,8 +23302,8 @@ ) entry( - index = 1582, - label = "C3H5-2 + C2H4 <=> C3H6-2 + C2H3", + index = 1573, + label = "C3H5-2 + C2H4-2 <=> C3H6-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02548,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23448,8 +23315,8 @@ ) entry( - index = 1583, - label = "C4H5-3 + C2H4 <=> C4H6-4 + C2H3", + index = 1574, + label = "C4H5-7 + C2H4-2 <=> C4H6-7 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01708,'cm^3/(mol*s)'), n=4.34, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23461,8 +23328,8 @@ ) entry( - index = 1584, - label = "C2H4 + C6H5 <=> C6H6 + C2H3", + index = 1575, + label = "C2H4-2 + C6H5-2 <=> C6H6-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0472,'cm^3/(mol*s)'), n=4.34, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23474,8 +23341,8 @@ ) entry( - index = 1585, - label = "C3H3 + C2H4 <=> C3H4-1 + C2H3", + index = 1576, + label = "C3H3-4 + C2H4-2 <=> C3H4-4 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1052,'cm^3/(mol*s)'), n=4.34, Ea=(92.8848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23487,8 +23354,8 @@ ) entry( - index = 1586, - label = "CH3S-2 + C2H4 <=> CH3SH_r2 + C2H3", + index = 1577, + label = "CH3S-4 + C2H4-2 <=> CH4S-4 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01372,'cm^3/(mol*s)'), n=4.34, Ea=(94.2655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23500,8 +23367,8 @@ ) entry( - index = 1587, - label = "C2H5S + C2H4 <=> C2H6S + C2H3", + index = 1578, + label = "C2H5S + C2H4-2 <=> C2H6S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0468,'cm^3/(mol*s)'), n=4.34, Ea=(82.383,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23513,8 +23380,8 @@ ) entry( - index = 1588, - label = "C3H7S + C2H4 <=> C3H8S + C2H3", + index = 1579, + label = "C3H7S + C2H4-2 <=> C3H8S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.03316,'cm^3/(mol*s)'), n=4.34, Ea=(72.2995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23526,8 +23393,8 @@ ) entry( - index = 1589, - label = "C2H4 + C2H3S-2 <=> C2H4S-2 + C2H3", + index = 1580, + label = "C2H4-2 + C2H3S-2 <=> C2H4S-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.112,'cm^3/(mol*s)'), n=4.34, Ea=(112.968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23539,8 +23406,8 @@ ) entry( - index = 1590, - label = "C3H5S + C2H4 <=> C3H6S + C2H3", + index = 1581, + label = "C3H5S-3 + C2H4-2 <=> C3H6S-3 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.2128,'cm^3/(mol*s)'), n=4.34, Ea=(125.102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23552,8 +23419,8 @@ ) entry( - index = 1591, - label = "C2H4 + C4H7S <=> C4H8S + C2H3", + index = 1582, + label = "C2H4-2 + C4H7S <=> C4H8S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1196,'cm^3/(mol*s)'), n=4.34, Ea=(135.143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23565,8 +23432,8 @@ ) entry( - index = 1592, - label = "C2H3S-3 + C2H4 <=> C2H4S-3 + C2H3", + index = 1583, + label = "C2H3S-3 + C2H4-2 <=> C2H4S-3 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.088,'cm^3/(mol*s)'), n=4.34, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23578,8 +23445,8 @@ ) entry( - index = 1593, - label = "C3H3S + C2H4 <=> C3H4S + C2H3", + index = 1584, + label = "C3H3S + C2H4-2 <=> C3H4S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.148,'cm^3/(mol*s)'), n=4.34, Ea=(89.956,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23591,8 +23458,8 @@ ) entry( - index = 1594, - label = "C3H5S-2 + C2H4 <=> C3H6S-2 + C2H3", + index = 1585, + label = "C3H5S-4 + C2H4-2 <=> C3H6S-4 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.2216,'cm^3/(mol*s)'), n=4.34, Ea=(128.742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23604,8 +23471,8 @@ ) entry( - index = 1595, - label = "C4H7S-2 + C2H4 <=> C4H8S-2 + C2H3", + index = 1586, + label = "C4H7S-2 + C2H4-2 <=> C4H8S-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.03476,'cm^3/(mol*s)'), n=4.34, Ea=(124.265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23617,8 +23484,8 @@ ) entry( - index = 1596, - label = "C2H3S2 + C2H4 <=> C2H4S2 + C2H3", + index = 1587, + label = "C2H3S2 + C2H4-2 <=> C2H4S2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(1.744,'cm^3/(mol*s)'), n=4.34, Ea=(176.732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23630,8 +23497,8 @@ ) entry( - index = 1597, - label = "C3H5S2 + C2H4 <=> C3H6S2 + C2H3", + index = 1588, + label = "C3H5S2 + C2H4-2 <=> C3H6S2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.564,'cm^3/(mol*s)'), n=4.34, Ea=(175.477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23643,8 +23510,8 @@ ) entry( - index = 1598, - label = "C3H3S-2 + C2H4 <=> C3H4S-2 + C2H3", + index = 1589, + label = "C3H3S-2 + C2H4-2 <=> C3H4S-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1124,'cm^3/(mol*s)'), n=4.34, Ea=(112.257,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23656,8 +23523,8 @@ ) entry( - index = 1599, - label = "C4H5S + C2H4 <=> C4H6S + C2H3", + index = 1590, + label = "C4H5S + C2H4-2 <=> C4H6S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.054,'cm^3/(mol*s)'), n=4.34, Ea=(108.784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23669,8 +23536,8 @@ ) entry( - index = 1600, - label = "C7H7S + C2H4 <=> C7H8S + C2H3", + index = 1591, + label = "C7H7S + C2H4-2 <=> C7H8S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0532,'cm^3/(mol*s)'), n=4.34, Ea=(116.232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23682,8 +23549,8 @@ ) entry( - index = 1601, - label = "C8H9S + C2H4 <=> C8H10S + C2H3", + index = 1592, + label = "C8H9S + C2H4-2 <=> C8H10S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0234,'cm^3/(mol*s)'), n=4.34, Ea=(105.353,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23695,8 +23562,8 @@ ) entry( - index = 1602, - label = "CHS + C2H4 <=> CH2S + C2H3", + index = 1593, + label = "CHS + C2H4-2 <=> CH2S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1276,'cm^3/(mol*s)'), n=4.34, Ea=(73.6384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23708,8 +23575,8 @@ ) entry( - index = 1603, - label = "C2H4 + C2H3S <=> C2H4S + C2H3", + index = 1594, + label = "C2H4-2 + C2H3S-4 <=> C2H4S-4 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0992,'cm^3/(mol*s)'), n=4.34, Ea=(72.8016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23721,8 +23588,8 @@ ) entry( - index = 1604, - label = "C4H3 + C2H4 <=> C4H4 + C2H3", + index = 1595, + label = "C4H3-2 + C2H4-2 <=> C4H4-2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.004,'cm^3/(mol*s)'), n=4.34, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23734,8 +23601,8 @@ ) entry( - index = 1605, - label = "CHS2 + C2H4 <=> CH2S2 + C2H3", + index = 1596, + label = "CHS2 + C2H4-2 <=> CH2S2 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.152,'cm^3/(mol*s)'), n=4.34, Ea=(83.68,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23747,8 +23614,8 @@ ) entry( - index = 1606, - label = "C2H4 + C3H3S-3 <=> C3H4S-3 + C2H3", + index = 1597, + label = "C2H4-2 + C3H3S-3 <=> C3H4S-3 + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0532,'cm^3/(mol*s)'), n=4.34, Ea=(84.9352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23760,8 +23627,8 @@ ) entry( - index = 1607, - label = "C3HS + C2H4 <=> C3H2S + C2H3", + index = 1598, + label = "C3HS + C2H4-2 <=> C3H2S + C2H3-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1492,'cm^3/(mol*s)'), n=4.34, Ea=(99.9976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23773,8 +23640,8 @@ ) entry( - index = 1608, - label = "C3H5 + C3H6-2 <=> C3H6 + C3H5-2", + index = 1599, + label = "C3H5-3 + C3H6-6 <=> C3H6-3 + C3H5-6", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0406,'cm^3/(mol*s)'), n=4.34, Ea=(124.474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23786,8 +23653,8 @@ ) entry( - index = 1609, - label = "C4H7-4 + C3H6-2 <=> C4H8-4 + C3H5-2", + index = 1600, + label = "C4H7-10 + C3H6-6 <=> C4H8-10 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0126,'cm^3/(mol*s)'), n=4.34, Ea=(112.591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23799,8 +23666,8 @@ ) entry( - index = 1610, - label = "C5H9-5 + C3H6-2 <=> C5H10-3 + C3H5-2", + index = 1601, + label = "C5H9-6 + C3H6-6 <=> C5H10-6 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00195,'cm^3/(mol*s)'), n=4.34, Ea=(108.073,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23812,8 +23679,8 @@ ) entry( - index = 1611, - label = "C5H7-2 + C3H6-2 <=> C5H8-2 + C3H5-2", + index = 1602, + label = "C5H7-2 + C3H6-6 <=> C5H8-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0503,'cm^3/(mol*s)'), n=4.34, Ea=(150.791,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23825,8 +23692,8 @@ ) entry( - index = 1612, - label = "C6H9 + C3H6-2 <=> C6H10 + C3H5-2", + index = 1603, + label = "C6H9 + C3H6-6 <=> C6H10 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00225,'cm^3/(mol*s)'), n=4.34, Ea=(123.01,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23838,8 +23705,8 @@ ) entry( - index = 1613, - label = "C3H3-2 + C3H6-2 <=> C3H4 + C3H5-2", + index = 1604, + label = "C3H3-3 + C3H6-6 <=> C3H4-3 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0104,'cm^3/(mol*s)'), n=4.34, Ea=(119.453,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23851,8 +23718,8 @@ ) entry( - index = 1614, - label = "C4H5-5 + C3H6-2 <=> C4H6 + C3H5-2", + index = 1605, + label = "C4H5-6 + C3H6-6 <=> C4H6-6 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0034,'cm^3/(mol*s)'), n=4.34, Ea=(106.608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23864,8 +23731,8 @@ ) entry( - index = 1615, - label = "C5H7-3 + C3H6-2 <=> C5H8 + C3H5-2", + index = 1606, + label = "C5H7-3 + C3H6-6 <=> C5H8-3 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00128,'cm^3/(mol*s)'), n=4.34, Ea=(104.474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23877,8 +23744,8 @@ ) entry( - index = 1616, - label = "C5H3 + C3H6-2 <=> C5H4 + C3H5-2", + index = 1607, + label = "C5H3 + C3H6-6 <=> C5H4 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0153,'cm^3/(mol*s)'), n=4.34, Ea=(97.4872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23890,8 +23757,8 @@ ) entry( - index = 1617, - label = "C6H5-2 + C3H6-2 <=> C6H6-2 + C3H5-2", + index = 1608, + label = "C6H5-3 + C3H6-6 <=> C6H6-3 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000613,'cm^3/(mol*s)'), n=4.34, Ea=(101.253,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23903,8 +23770,8 @@ ) entry( - index = 1618, - label = "C3H6-2 + C7H7 <=> C7H8 + C3H5-2", + index = 1609, + label = "C3H6-6 + C7H7-5 <=> C7H8-5 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0189,'cm^3/(mol*s)'), n=4.34, Ea=(113.646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23916,8 +23783,8 @@ ) entry( - index = 1619, - label = "C3H6-2 + C8H9 <=> C8H10 + C3H5-2", + index = 1610, + label = "C3H6-6 + C8H9-2 <=> C8H10-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00792,'cm^3/(mol*s)'), n=4.34, Ea=(102.7,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23929,8 +23796,8 @@ ) entry( - index = 1620, - label = "C3H6-2 + C9H11 <=> C9H12 + C3H5-2", + index = 1611, + label = "C3H6-6 + C9H11-2 <=> C9H12-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000387,'cm^3/(mol*s)'), n=4.34, Ea=(104.307,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23942,8 +23809,8 @@ ) entry( - index = 1621, - label = "C4H5-3 + C3H6-2 <=> C4H6-4 + C3H5-2", + index = 1612, + label = "C4H5-7 + C3H6-6 <=> C4H6-7 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00455,'cm^3/(mol*s)'), n=4.34, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23955,8 +23822,8 @@ ) entry( - index = 1622, - label = "C3H6-2 + C6H5 <=> C6H6 + C3H5-2", + index = 1613, + label = "C3H6-6 + C6H5-2 <=> C6H6-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0126,'cm^3/(mol*s)'), n=4.34, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23968,8 +23835,8 @@ ) entry( - index = 1623, - label = "C4H3 + C3H6-2 <=> C4H4 + C3H5-2", + index = 1614, + label = "C4H3-2 + C3H6-6 <=> C4H4-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00107,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23981,8 +23848,8 @@ ) entry( - index = 1624, - label = "CH3S-2 + C3H6-2 <=> CH3SH_r2 + C3H5-2", + index = 1615, + label = "CH3S-4 + C3H6-6 <=> CH4S-4 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00353,'cm^3/(mol*s)'), n=4.34, Ea=(94.8094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -23994,8 +23861,8 @@ ) entry( - index = 1625, - label = "C2H5S + C3H6-2 <=> C2H6S + C3H5-2", + index = 1616, + label = "C2H5S + C3H6-6 <=> C2H6S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00985,'cm^3/(mol*s)'), n=4.34, Ea=(82.9269,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24007,8 +23874,8 @@ ) entry( - index = 1626, - label = "C3H7S + C3H6-2 <=> C3H8S + C3H5-2", + index = 1617, + label = "C3H7S + C3H6-6 <=> C3H8S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00569,'cm^3/(mol*s)'), n=4.34, Ea=(72.8434,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24020,8 +23887,8 @@ ) entry( - index = 1627, - label = "C3H6-2 + C2H3S-2 <=> C2H4S-2 + C3H5-2", + index = 1618, + label = "C3H6-6 + C2H3S-2 <=> C2H4S-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0205,'cm^3/(mol*s)'), n=4.34, Ea=(96.6504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24033,8 +23900,8 @@ ) entry( - index = 1628, - label = "C3H5S + C3H6-2 <=> C3H6S + C3H5-2", + index = 1619, + label = "C3H5S-3 + C3H6-6 <=> C3H6S-3 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0317,'cm^3/(mol*s)'), n=4.34, Ea=(107.947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24046,8 +23913,8 @@ ) entry( - index = 1629, - label = "C3H6-2 + C4H7S <=> C4H8S + C3H5-2", + index = 1620, + label = "C3H6-6 + C4H7S <=> C4H8S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0146,'cm^3/(mol*s)'), n=4.34, Ea=(117.57,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24059,8 +23926,8 @@ ) entry( - index = 1630, - label = "C2H3S-3 + C3H6-2 <=> C2H4S-3 + C3H5-2", + index = 1621, + label = "C2H3S-3 + C3H6-6 <=> C2H4S-3 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0161,'cm^3/(mol*s)'), n=4.34, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24072,8 +23939,8 @@ ) entry( - index = 1631, - label = "C3H3S + C3H6-2 <=> C3H4S + C3H5-2", + index = 1622, + label = "C3H3S + C3H6-6 <=> C3H4S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0394,'cm^3/(mol*s)'), n=4.34, Ea=(80.3328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24085,8 +23952,8 @@ ) entry( - index = 1632, - label = "C3H5S-2 + C3H6-2 <=> C3H6S-2 + C3H5-2", + index = 1623, + label = "C3H5S-4 + C3H6-6 <=> C3H6S-4 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0468,'cm^3/(mol*s)'), n=4.34, Ea=(129.286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24098,8 +23965,8 @@ ) entry( - index = 1633, - label = "C4H7S-2 + C3H6-2 <=> C4H8S-2 + C3H5-2", + index = 1624, + label = "C4H7S-2 + C3H6-6 <=> C4H8S-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00599,'cm^3/(mol*s)'), n=4.34, Ea=(124.809,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24111,8 +23978,8 @@ ) entry( - index = 1634, - label = "C2H3S2 + C3H6-2 <=> C2H4S2 + C3H5-2", + index = 1625, + label = "C2H3S2 + C3H6-6 <=> C2H4S2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.307,'cm^3/(mol*s)'), n=4.34, Ea=(177.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24124,8 +23991,8 @@ ) entry( - index = 1635, - label = "C3H5S2 + C3H6-2 <=> C3H6S2 + C3H5-2", + index = 1626, + label = "C3H5S2 + C3H6-6 <=> C3H6S2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0811,'cm^3/(mol*s)'), n=4.34, Ea=(176.021,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24137,8 +24004,8 @@ ) entry( - index = 1636, - label = "C3H3S-2 + C3H6-2 <=> C3H4S-2 + C3H5-2", + index = 1627, + label = "C3H3S-2 + C3H6-6 <=> C3H4S-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0238,'cm^3/(mol*s)'), n=4.34, Ea=(112.801,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24150,8 +24017,8 @@ ) entry( - index = 1637, - label = "C4H5S + C3H6-2 <=> C4H6S + C3H5-2", + index = 1628, + label = "C4H5S + C3H6-6 <=> C4H6S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00931,'cm^3/(mol*s)'), n=4.34, Ea=(108.198,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24163,8 +24030,8 @@ ) entry( - index = 1638, - label = "C7H7S + C3H6-2 <=> C7H8S + C3H5-2", + index = 1629, + label = "C7H7S + C3H6-6 <=> C7H8S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0112,'cm^3/(mol*s)'), n=4.34, Ea=(116.775,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24176,8 +24043,8 @@ ) entry( - index = 1639, - label = "C8H9S + C3H6-2 <=> C8H10S + C3H5-2", + index = 1630, + label = "C8H9S + C3H6-6 <=> C8H10S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00403,'cm^3/(mol*s)'), n=4.34, Ea=(105.897,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24189,8 +24056,8 @@ ) entry( - index = 1640, - label = "CHS + C3H6-2 <=> CH2S + C3H5-2", + index = 1631, + label = "CHS + C3H6-6 <=> CH2S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.034,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24202,8 +24069,8 @@ ) entry( - index = 1641, - label = "C3H6-2 + C2H3S <=> C2H4S + C3H5-2", + index = 1632, + label = "C3H6-6 + C2H3S-4 <=> C2H4S-4 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0216,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24215,8 +24082,8 @@ ) entry( - index = 1642, - label = "C3H3 + C3H6-2 <=> C3H4-1 + C3H5-2", + index = 1633, + label = "C3H3-4 + C3H6-6 <=> C3H4-4 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.023,'cm^3/(mol*s)'), n=4.34, Ea=(93.4287,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24228,8 +24095,8 @@ ) entry( - index = 1643, - label = "CHS2 + C3H6-2 <=> CH2S2 + C3H5-2", + index = 1634, + label = "CHS2 + C3H6-6 <=> CH2S2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0391,'cm^3/(mol*s)'), n=4.34, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24241,8 +24108,8 @@ ) entry( - index = 1644, - label = "C3H3S-3 + C3H6-2 <=> C3H4S-3 + C3H5-2", + index = 1635, + label = "C3H3S-3 + C3H6-6 <=> C3H4S-3 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0142,'cm^3/(mol*s)'), n=4.34, Ea=(75.312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24254,8 +24121,8 @@ ) entry( - index = 1645, - label = "C3HS + C3H6-2 <=> C3H2S + C3H5-2", + index = 1636, + label = "C3HS + C3H6-6 <=> C3H2S + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0398,'cm^3/(mol*s)'), n=4.34, Ea=(90.3744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24267,8 +24134,8 @@ ) entry( - index = 1646, - label = "H + C4H6-4 <=> H2 + C4H5-3", + index = 1637, + label = "H + C4H6-4 <=> H2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.73,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24280,8 +24147,8 @@ ) entry( - index = 1647, - label = "CH3_r3 + C4H6-4 <=> CH4b + C4H5-3", + index = 1638, + label = "CH3-2 + C4H6-4 <=> CH4-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01728,'cm^3/(mol*s)'), n=4.34, Ea=(41.1287,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24293,8 +24160,8 @@ ) entry( - index = 1648, - label = "C4H6-4 + C2H5 <=> C2H6 + C4H5-3", + index = 1639, + label = "C4H6-4 + C2H5-2 <=> C2H6-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00296,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24306,8 +24173,8 @@ ) entry( - index = 1649, - label = "C4H6-4 + C3H7 <=> C3H8 + C4H5-3", + index = 1640, + label = "C4H6-4 + C3H7-2 <=> C3H8-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00418,'cm^3/(mol*s)'), n=4.34, Ea=(43.932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24319,8 +24186,8 @@ ) entry( - index = 1650, - label = "C4H6-4 + C4H9-4 <=> iC4H10b + C4H5-3", + index = 1641, + label = "C4H6-4 + C4H9-5 <=> C4H10-5 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00514,'cm^3/(mol*s)'), n=4.34, Ea=(43.932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24332,8 +24199,8 @@ ) entry( - index = 1651, - label = "C4H6-4 + C3H5 <=> C3H6 + C4H5-3", + index = 1642, + label = "C4H6-4 + C3H5-3 <=> C3H6-3 + C4H5-4", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0936,'cm^3/(mol*s)'), n=4.34, Ea=(87.864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24345,8 +24212,8 @@ ) entry( - index = 1652, - label = "C4H7-4 + C4H6-4 <=> C4H8-4 + C4H5-3", + index = 1643, + label = "C4H7-10 + C4H6-4 <=> C4H8-10 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0354,'cm^3/(mol*s)'), n=4.34, Ea=(95.3952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24358,8 +24225,8 @@ ) entry( - index = 1653, - label = "C4H6-4 + C5H9-5 <=> C5H10-3 + C4H5-3", + index = 1644, + label = "C4H6-4 + C5H9-6 <=> C5H10-6 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00672,'cm^3/(mol*s)'), n=4.34, Ea=(97.4872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24371,8 +24238,8 @@ ) entry( - index = 1654, - label = "C5H7-2 + C4H6-4 <=> C5H8-2 + C4H5-3", + index = 1645, + label = "C5H7-2 + C4H6-4 <=> C5H8-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1412,'cm^3/(mol*s)'), n=4.34, Ea=(130.122,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24384,8 +24251,8 @@ ) entry( - index = 1655, - label = "C4H6-4 + C6H9 <=> C6H10 + C4H5-3", + index = 1646, + label = "C4H6-4 + C6H9 <=> C6H10 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00772,'cm^3/(mol*s)'), n=4.34, Ea=(131.796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24397,8 +24264,8 @@ ) entry( - index = 1656, - label = "C3H3-2 + C4H6-4 <=> C3H4 + C4H5-3", + index = 1647, + label = "C3H3-3 + C4H6-4 <=> C3H4-3 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0238,'cm^3/(mol*s)'), n=4.34, Ea=(73.3874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24410,8 +24277,8 @@ ) entry( - index = 1657, - label = "C4H5-5 + C4H6-4 <=> C4H6 + C4H5-3", + index = 1648, + label = "C4H5-6 + C4H6-4 <=> C4H6-6 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0096,'cm^3/(mol*s)'), n=4.34, Ea=(78.6592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24423,8 +24290,8 @@ ) entry( - index = 1658, - label = "C5H7-3 + C4H6-4 <=> C5H8 + C4H5-3", + index = 1649, + label = "C5H7-3 + C4H6-4 <=> C5H8-3 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0044,'cm^3/(mol*s)'), n=4.34, Ea=(82.4248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24436,8 +24303,8 @@ ) entry( - index = 1659, - label = "C5H3 + C4H6-4 <=> C5H4 + C4H5-3", + index = 1650, + label = "C5H3 + C4H6-4 <=> C5H4 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0428,'cm^3/(mol*s)'), n=4.34, Ea=(105.855,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24449,8 +24316,8 @@ ) entry( - index = 1660, - label = "C6H5-2 + C4H6-4 <=> C6H6-2 + C4H5-3", + index = 1651, + label = "C6H5-3 + C4H6-4 <=> C6H6-3 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0021,'cm^3/(mol*s)'), n=4.34, Ea=(110.458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24462,8 +24329,8 @@ ) entry( - index = 1661, - label = "C4H6-4 + C7H7 <=> C7H8 + C4H5-3", + index = 1652, + label = "C4H6-4 + C7H7-5 <=> C7H8-5 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0434,'cm^3/(mol*s)'), n=4.34, Ea=(79.0776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24475,8 +24342,8 @@ ) entry( - index = 1662, - label = "C4H6-4 + C8H9 <=> C8H10 + C4H5-3", + index = 1653, + label = "C4H6-4 + C8H9-2 <=> C8H10-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0224,'cm^3/(mol*s)'), n=4.34, Ea=(82.8432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24488,8 +24355,8 @@ ) entry( - index = 1663, - label = "C4H6-4 + C9H11 <=> C9H12 + C4H5-3", + index = 1654, + label = "C4H6-4 + C9H11-2 <=> C9H12-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001336,'cm^3/(mol*s)'), n=4.34, Ea=(81.1696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24501,8 +24368,8 @@ ) entry( - index = 1664, - label = "C2H3 + C4H6-4 <=> C2H4 + C4H5-3", + index = 1655, + label = "C2H3 + C4H6-4 <=> C2H4 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01864,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24514,8 +24381,8 @@ ) entry( - index = 1665, - label = "C3H5-2 + C4H6-4 <=> C3H6-2 + C4H5-3", + index = 1656, + label = "C3H5-2 + C4H6-4 <=> C3H6-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01284,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24527,8 +24394,8 @@ ) entry( - index = 1666, - label = "C4H6-4 + C6H5 <=> C6H6 + C4H5-3", + index = 1657, + label = "C4H6-4 + C6H5-2 <=> C6H6-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0238,'cm^3/(mol*s)'), n=4.34, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24540,8 +24407,8 @@ ) entry( - index = 1667, - label = "C4H3 + C4H6-4 <=> C4H4 + C4H5-3", + index = 1658, + label = "C4H3-2 + C4H6-4 <=> C4H4-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00202,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24553,8 +24420,8 @@ ) entry( - index = 1668, - label = "CH3S-2 + C4H6-4 <=> CH3SH_r2 + C4H5-3", + index = 1659, + label = "CH3S-4 + C4H6-4 <=> CH4S-4 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00692,'cm^3/(mol*s)'), n=4.34, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24566,8 +24433,8 @@ ) entry( - index = 1669, - label = "C2H5S + C4H6-4 <=> C2H6S + C4H5-3", + index = 1660, + label = "C2H5S + C4H6-4 <=> C2H6S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0236,'cm^3/(mol*s)'), n=4.34, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24579,8 +24446,8 @@ ) entry( - index = 1670, - label = "C3H7S + C4H6-4 <=> C3H8S + C4H5-3", + index = 1661, + label = "C3H7S + C4H6-4 <=> C3H8S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01672,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24592,8 +24459,8 @@ ) entry( - index = 1671, - label = "C4H6-4 + C2H3S-2 <=> C2H4S-2 + C4H5-3", + index = 1662, + label = "C4H6-4 + C2H3S-2 <=> C2H4S-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0566,'cm^3/(mol*s)'), n=4.34, Ea=(102.508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24605,8 +24472,8 @@ ) entry( - index = 1672, - label = "C4H6-4 + C3H5S <=> C3H6S + C4H5-3", + index = 1663, + label = "C4H6-4 + C3H5S-3 <=> C3H6S-3 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1072,'cm^3/(mol*s)'), n=4.34, Ea=(115.06,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24618,8 +24485,8 @@ ) entry( - index = 1673, - label = "C4H6-4 + C4H7S <=> C4H8S + C4H5-3", + index = 1664, + label = "C4H6-4 + C4H7S <=> C4H8S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0602,'cm^3/(mol*s)'), n=4.34, Ea=(125.102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24631,8 +24498,8 @@ ) entry( - index = 1674, - label = "C2H3S-3 + C4H6-4 <=> C2H4S-3 + C4H5-3", + index = 1665, + label = "C2H3S-3 + C4H6-4 <=> C2H4S-3 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0444,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24644,8 +24511,8 @@ ) entry( - index = 1675, - label = "C3H3S + C4H6-4 <=> C3H4S + C4H5-3", + index = 1666, + label = "C3H3S + C4H6-4 <=> C3H4S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0744,'cm^3/(mol*s)'), n=4.34, Ea=(79.496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24657,8 +24524,8 @@ ) entry( - index = 1676, - label = "C3H5S-2 + C4H6-4 <=> C3H6S-2 + C4H5-3", + index = 1667, + label = "C3H5S-4 + C4H6-4 <=> C3H6S-4 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1118,'cm^3/(mol*s)'), n=4.34, Ea=(103.345,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24670,8 +24537,8 @@ ) entry( - index = 1677, - label = "C4H7S-2 + C4H6-4 <=> C4H8S-2 + C4H5-3", + index = 1668, + label = "C4H7S-2 + C4H6-4 <=> C4H8S-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01752,'cm^3/(mol*s)'), n=4.34, Ea=(102.926,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24683,8 +24550,8 @@ ) entry( - index = 1678, - label = "C2H3S2 + C4H6-4 <=> C2H4S2 + C4H5-3", + index = 1669, + label = "C2H3S2 + C4H6-4 <=> C2H4S2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.88,'cm^3/(mol*s)'), n=4.34, Ea=(143.093,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24696,8 +24563,8 @@ ) entry( - index = 1679, - label = "C3H5S2 + C4H6-4 <=> C3H6S2 + C4H5-3", + index = 1670, + label = "C3H5S2 + C4H6-4 <=> C3H6S2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.284,'cm^3/(mol*s)'), n=4.34, Ea=(148.532,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24709,8 +24576,8 @@ ) entry( - index = 1680, - label = "C3H3S-2 + C4H6-4 <=> C3H4S-2 + C4H5-3", + index = 1671, + label = "C3H3S-2 + C4H6-4 <=> C3H4S-2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0568,'cm^3/(mol*s)'), n=4.34, Ea=(94.9768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24722,8 +24589,8 @@ ) entry( - index = 1681, - label = "C4H5S + C4H6-4 <=> C4H6S + C4H5-3", + index = 1672, + label = "C4H5S + C4H6-4 <=> C4H6S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0272,'cm^3/(mol*s)'), n=4.34, Ea=(98.324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24735,8 +24602,8 @@ ) entry( - index = 1682, - label = "C7H7S + C4H6-4 <=> C7H8S + C4H5-3", + index = 1673, + label = "C7H7S + C4H6-4 <=> C7H8S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0268,'cm^3/(mol*s)'), n=4.34, Ea=(93.7216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24748,8 +24615,8 @@ ) entry( - index = 1683, - label = "C8H9S + C4H6-4 <=> C8H10S + C4H5-3", + index = 1674, + label = "C8H9S + C4H6-4 <=> C8H10S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01178,'cm^3/(mol*s)'), n=4.34, Ea=(89.956,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24761,8 +24628,8 @@ ) entry( - index = 1684, - label = "CHS + C4H6-4 <=> CH2S + C4H5-3", + index = 1675, + label = "CHS + C4H6-4 <=> CH2S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0642,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24774,8 +24641,8 @@ ) entry( - index = 1685, - label = "C4H6-4 + C2H3S <=> C2H4S + C4H5-3", + index = 1676, + label = "C4H6-4 + C2H3S-4 <=> C2H4S-4 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.05,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24787,8 +24654,8 @@ ) entry( - index = 1686, - label = "CHS2 + C4H6-4 <=> CH2S2 + C4H5-3", + index = 1677, + label = "CHS2 + C4H6-4 <=> CH2S2 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0766,'cm^3/(mol*s)'), n=4.34, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24800,8 +24667,8 @@ ) entry( - index = 1687, - label = "C3H3 + C4H6-4 <=> C3H4-1 + C4H5-3", + index = 1678, + label = "C3H3-4 + C4H6-4 <=> C3H4-4 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.053,'cm^3/(mol*s)'), n=4.34, Ea=(76.9856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24813,8 +24680,8 @@ ) entry( - index = 1688, - label = "C4H6-4 + C3H3S-3 <=> C3H4S-3 + C4H5-3", + index = 1679, + label = "C4H6-4 + C3H3S-3 <=> C3H4S-3 + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.027,'cm^3/(mol*s)'), n=4.34, Ea=(74.4752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24826,8 +24693,8 @@ ) entry( - index = 1689, - label = "C3HS + C4H6-4 <=> C3H2S + C4H5-3", + index = 1680, + label = "C3HS + C4H6-4 <=> C3H2S + C4H5-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0752,'cm^3/(mol*s)'), n=4.34, Ea=(89.5376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24839,8 +24706,8 @@ ) entry( - index = 1690, - label = "CH3_r3 + C6H6 <=> CH4b + C6H5", + index = 1681, + label = "CH3-2 + C6H6 <=> CH4-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.063,'cm^3/(mol*s)'), n=4.34, Ea=(102.006,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24852,8 +24719,8 @@ ) entry( - index = 1691, - label = "C6H6 + C3H7 <=> C3H8 + C6H5", + index = 1682, + label = "C6H6 + C3H7-2 <=> C3H8-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01524,'cm^3/(mol*s)'), n=4.34, Ea=(74.3497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24865,8 +24732,8 @@ ) entry( - index = 1692, - label = "C6H6 + C4H9-4 <=> iC4H10b + C6H5", + index = 1683, + label = "C6H6 + C4H9-5 <=> C4H10-5 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01866,'cm^3/(mol*s)'), n=4.34, Ea=(69.831,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24878,8 +24745,8 @@ ) entry( - index = 1693, - label = "C3H5 + C6H6 <=> C3H6 + C6H5", + index = 1684, + label = "C3H5-3 + C6H6 <=> C3H6-3 + C6H5", degeneracy = 12.0, kinetics = Arrhenius(A=(0.3408,'cm^3/(mol*s)'), n=4.34, Ea=(139.285,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24891,8 +24758,8 @@ ) entry( - index = 1694, - label = "C4H7-4 + C6H6 <=> C4H8-4 + C6H5", + index = 1685, + label = "C4H7-10 + C6H6 <=> C4H8-10 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.129,'cm^3/(mol*s)'), n=4.34, Ea=(127.403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24904,8 +24771,8 @@ ) entry( - index = 1695, - label = "C5H9-5 + C6H6 <=> C5H10-3 + C6H5", + index = 1686, + label = "C5H9-6 + C6H6 <=> C5H10-6 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.02442,'cm^3/(mol*s)'), n=4.34, Ea=(122.884,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24917,7 +24784,7 @@ ) entry( - index = 1696, + index = 1687, label = "C5H7-2 + C6H6 <=> C5H8-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.5142,'cm^3/(mol*s)'), n=4.34, Ea=(165.603,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -24930,7 +24797,7 @@ ) entry( - index = 1697, + index = 1688, label = "C6H9 + C6H6 <=> C6H10 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.02808,'cm^3/(mol*s)'), n=4.34, Ea=(150.206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -24943,8 +24810,8 @@ ) entry( - index = 1698, - label = "C3H3-2 + C6H6 <=> C3H4 + C6H5", + index = 1689, + label = "C3H3-3 + C6H6 <=> C3H4-3 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.087,'cm^3/(mol*s)'), n=4.34, Ea=(134.265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24956,8 +24823,8 @@ ) entry( - index = 1699, - label = "C4H5-5 + C6H6 <=> C4H6 + C6H5", + index = 1690, + label = "C4H5-6 + C6H6 <=> C4H6-6 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.03492,'cm^3/(mol*s)'), n=4.34, Ea=(121.42,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24969,8 +24836,8 @@ ) entry( - index = 1700, - label = "C5H7-3 + C6H6 <=> C5H8 + C6H5", + index = 1691, + label = "C5H7-3 + C6H6 <=> C5H8-3 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01602,'cm^3/(mol*s)'), n=4.34, Ea=(119.286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -24982,7 +24849,7 @@ ) entry( - index = 1701, + index = 1692, label = "C5H3 + C6H6 <=> C5H4 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.156,'cm^3/(mol*s)'), n=4.34, Ea=(124.265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -24995,8 +24862,8 @@ ) entry( - index = 1702, - label = "C6H5-2 + C6H6 <=> C6H6-2 + C6H5", + index = 1693, + label = "C6H5-3 + C6H6 <=> C6H6-3 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00768,'cm^3/(mol*s)'), n=4.34, Ea=(128.867,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25008,8 +24875,8 @@ ) entry( - index = 1703, - label = "C7H7 + C6H6 <=> C7H8 + C6H5", + index = 1694, + label = "C7H7-5 + C6H6 <=> C7H8-5 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1578,'cm^3/(mol*s)'), n=4.34, Ea=(128.457,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25021,8 +24888,8 @@ ) entry( - index = 1704, - label = "C8H9 + C6H6 <=> C8H10 + C6H5", + index = 1695, + label = "C8H9-2 + C6H6 <=> C8H10-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.081,'cm^3/(mol*s)'), n=4.34, Ea=(117.512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25034,8 +24901,8 @@ ) entry( - index = 1705, - label = "C6H6 + C9H11 <=> C9H12 + C6H5", + index = 1696, + label = "C6H6 + C9H11-2 <=> C9H12-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.004866,'cm^3/(mol*s)'), n=4.34, Ea=(119.118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25047,7 +24914,7 @@ ) entry( - index = 1706, + index = 1697, label = "C2H3 + C6H6 <=> C2H4 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0678,'cm^3/(mol*s)'), n=4.34, Ea=(33.472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25060,7 +24927,7 @@ ) entry( - index = 1707, + index = 1698, label = "C3H5-2 + C6H6 <=> C3H6-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0468,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25073,8 +24940,8 @@ ) entry( - index = 1708, - label = "C4H5-3 + C6H6 <=> C4H6-4 + C6H5", + index = 1699, + label = "C4H5-7 + C6H6 <=> C4H6-7 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.03132,'cm^3/(mol*s)'), n=4.34, Ea=(65.6888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25086,8 +24953,8 @@ ) entry( - index = 1709, - label = "C3H3 + C6H6 <=> C3H4-1 + C6H5", + index = 1700, + label = "C3H3-4 + C6H6 <=> C3H4-4 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1926,'cm^3/(mol*s)'), n=4.34, Ea=(108.24,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25099,8 +24966,8 @@ ) entry( - index = 1710, - label = "CH3S-2 + C6H6 <=> CH3SH_r2 + C6H5", + index = 1701, + label = "CH3S-4 + C6H6 <=> CH4S-4 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.02514,'cm^3/(mol*s)'), n=4.34, Ea=(109.621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25112,7 +24979,7 @@ ) entry( - index = 1711, + index = 1702, label = "C2H5S + C6H6 <=> C2H6S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0858,'cm^3/(mol*s)'), n=4.34, Ea=(97.7382,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25125,7 +24992,7 @@ ) entry( - index = 1712, + index = 1703, label = "C3H7S + C6H6 <=> C3H8S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0606,'cm^3/(mol*s)'), n=4.34, Ea=(87.6548,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25138,7 +25005,7 @@ ) entry( - index = 1713, + index = 1704, label = "C2H3S-2 + C6H6 <=> C2H4S-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2058,'cm^3/(mol*s)'), n=4.34, Ea=(120.918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25151,8 +25018,8 @@ ) entry( - index = 1714, - label = "C3H5S + C6H6 <=> C3H6S + C6H5", + index = 1705, + label = "C3H5S-3 + C6H6 <=> C3H6S-3 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.3906,'cm^3/(mol*s)'), n=4.34, Ea=(133.051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25164,7 +25031,7 @@ ) entry( - index = 1715, + index = 1706, label = "C4H7S + C6H6 <=> C4H8S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2196,'cm^3/(mol*s)'), n=4.34, Ea=(143.093,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25177,7 +25044,7 @@ ) entry( - index = 1716, + index = 1707, label = "C2H3S-3 + C6H6 <=> C2H4S-3 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.162,'cm^3/(mol*s)'), n=4.34, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25190,7 +25057,7 @@ ) entry( - index = 1717, + index = 1708, label = "C3H3S + C6H6 <=> C3H4S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2712,'cm^3/(mol*s)'), n=4.34, Ea=(97.9056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25203,8 +25070,8 @@ ) entry( - index = 1718, - label = "C3H5S-2 + C6H6 <=> C3H6S-2 + C6H5", + index = 1709, + label = "C3H5S-4 + C6H6 <=> C3H6S-4 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.4068,'cm^3/(mol*s)'), n=4.34, Ea=(144.097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25216,7 +25083,7 @@ ) entry( - index = 1719, + index = 1710, label = "C4H7S-2 + C6H6 <=> C4H8S-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0636,'cm^3/(mol*s)'), n=4.34, Ea=(139.62,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25229,7 +25096,7 @@ ) entry( - index = 1720, + index = 1711, label = "C2H3S2 + C6H6 <=> C2H4S2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(3.204,'cm^3/(mol*s)'), n=4.34, Ea=(192.087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25242,7 +25109,7 @@ ) entry( - index = 1721, + index = 1712, label = "C3H5S2 + C6H6 <=> C3H6S2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(1.038,'cm^3/(mol*s)'), n=4.34, Ea=(190.832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25255,7 +25122,7 @@ ) entry( - index = 1722, + index = 1713, label = "C3H3S-2 + C6H6 <=> C3H4S-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2064,'cm^3/(mol*s)'), n=4.34, Ea=(127.612,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25268,7 +25135,7 @@ ) entry( - index = 1723, + index = 1714, label = "C4H5S + C6H6 <=> C4H6S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.099,'cm^3/(mol*s)'), n=4.34, Ea=(123.01,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25281,7 +25148,7 @@ ) entry( - index = 1724, + index = 1715, label = "C7H7S + C6H6 <=> C7H8S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0978,'cm^3/(mol*s)'), n=4.34, Ea=(131.587,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25294,7 +25161,7 @@ ) entry( - index = 1725, + index = 1716, label = "C8H9S + C6H6 <=> C8H10S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0429,'cm^3/(mol*s)'), n=4.34, Ea=(120.708,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25307,7 +25174,7 @@ ) entry( - index = 1726, + index = 1717, label = "CHS + C6H6 <=> CH2S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.234,'cm^3/(mol*s)'), n=4.34, Ea=(82.0064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25320,8 +25187,8 @@ ) entry( - index = 1727, - label = "C6H6 + C2H3S <=> C2H4S + C6H5", + index = 1718, + label = "C6H6 + C2H3S-4 <=> C2H4S-4 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.1818,'cm^3/(mol*s)'), n=4.34, Ea=(80.7512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25333,7 +25200,7 @@ ) entry( - index = 1728, + index = 1719, label = "CHS2 + C6H6 <=> CH2S2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2784,'cm^3/(mol*s)'), n=4.34, Ea=(91.6296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25346,7 +25213,7 @@ ) entry( - index = 1729, + index = 1720, label = "C3H3S-3 + C6H6 <=> C3H4S-3 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0978,'cm^3/(mol*s)'), n=4.34, Ea=(92.8848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25359,7 +25226,7 @@ ) entry( - index = 1730, + index = 1721, label = "C3HS + C6H6 <=> C3H2S + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.2742,'cm^3/(mol*s)'), n=4.34, Ea=(107.947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25372,8 +25239,8 @@ ) entry( - index = 1731, - label = "C4H3 + C6H6 <=> C4H4 + C6H5", + index = 1722, + label = "C4H3-2 + C6H6 <=> C4H4-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00738,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25385,8 +25252,8 @@ ) entry( - index = 1732, - label = "H + C3H4-1 <=> H2 + C3H3", + index = 1723, + label = "H + C3H4 <=> H2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(6.52,'cm^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25398,8 +25265,8 @@ ) entry( - index = 1733, - label = "C4H4 + CH3_r3 <=> CH4b + C4H3", + index = 1724, + label = "C4H4 + CH3-2 <=> CH4-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00698,'cm^3/(mol*s)'), n=4.34, Ea=(79.6215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25411,8 +25278,8 @@ ) entry( - index = 1734, - label = "C4H4 + C2H5 <=> C2H6 + C4H3", + index = 1725, + label = "C4H4 + C2H5-2 <=> C2H6-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0012,'cm^3/(mol*s)'), n=4.34, Ea=(62.9274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25424,8 +25291,8 @@ ) entry( - index = 1735, - label = "C4H4 + C3H7 <=> C3H8 + C4H3", + index = 1726, + label = "C4H4 + C3H7-2 <=> C3H8-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00169,'cm^3/(mol*s)'), n=4.34, Ea=(51.9653,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25437,8 +25304,8 @@ ) entry( - index = 1736, - label = "C4H4 + C4H9-4 <=> iC4H10b + C4H3", + index = 1727, + label = "C4H4 + C4H9-5 <=> C4H10-5 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00207,'cm^3/(mol*s)'), n=4.34, Ea=(47.4466,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25450,8 +25317,8 @@ ) entry( - index = 1737, - label = "C4H4 + C3H5 <=> C3H6 + C4H3", + index = 1728, + label = "C4H4 + C3H5-3 <=> C3H6-3 + C4H3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0378,'cm^3/(mol*s)'), n=4.34, Ea=(116.901,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25463,8 +25330,8 @@ ) entry( - index = 1738, - label = "C4H4 + C4H7-4 <=> C4H8-4 + C4H3", + index = 1729, + label = "C4H4 + C4H7-10 <=> C4H8-10 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0143,'cm^3/(mol*s)'), n=4.34, Ea=(105.018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25476,8 +25343,8 @@ ) entry( - index = 1739, - label = "C4H4 + C5H9-5 <=> C5H10-3 + C4H3", + index = 1730, + label = "C4H4 + C5H9-6 <=> C5H10-6 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00271,'cm^3/(mol*s)'), n=4.34, Ea=(100.5,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25489,7 +25356,7 @@ ) entry( - index = 1740, + index = 1731, label = "C4H4 + C5H7-2 <=> C5H8-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.057,'cm^3/(mol*s)'), n=4.34, Ea=(143.218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25502,7 +25369,7 @@ ) entry( - index = 1741, + index = 1732, label = "C4H4 + C6H9 <=> C6H10 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00312,'cm^3/(mol*s)'), n=4.34, Ea=(122.173,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25515,8 +25382,8 @@ ) entry( - index = 1742, - label = "C3H3-2 + C4H4 <=> C3H4 + C4H3", + index = 1733, + label = "C3H3-3 + C4H4 <=> C3H4-3 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00965,'cm^3/(mol*s)'), n=4.34, Ea=(111.88,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25528,8 +25395,8 @@ ) entry( - index = 1743, - label = "C4H4 + C4H5-5 <=> C4H6 + C4H3", + index = 1734, + label = "C4H4 + C4H5-6 <=> C4H6-6 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00388,'cm^3/(mol*s)'), n=4.34, Ea=(99.0353,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25541,8 +25408,8 @@ ) entry( - index = 1744, - label = "C4H4 + C5H7-3 <=> C5H8 + C4H3", + index = 1735, + label = "C4H4 + C5H7-3 <=> C5H8-3 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00178,'cm^3/(mol*s)'), n=4.34, Ea=(96.9014,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25554,7 +25421,7 @@ ) entry( - index = 1745, + index = 1736, label = "C5H3 + C4H4 <=> C5H4 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0173,'cm^3/(mol*s)'), n=4.34, Ea=(96.232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25567,8 +25434,8 @@ ) entry( - index = 1746, - label = "C6H5-2 + C4H4 <=> C6H6-2 + C4H3", + index = 1737, + label = "C6H5-3 + C4H4 <=> C6H6-3 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000851,'cm^3/(mol*s)'), n=4.34, Ea=(100.834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25580,8 +25447,8 @@ ) entry( - index = 1747, - label = "C4H4 + C7H7 <=> C7H8 + C4H3", + index = 1738, + label = "C4H4 + C7H7-5 <=> C7H8-5 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0175,'cm^3/(mol*s)'), n=4.34, Ea=(106.073,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25593,8 +25460,8 @@ ) entry( - index = 1748, - label = "C4H4 + C8H9 <=> C8H10 + C4H3", + index = 1739, + label = "C4H4 + C8H9-2 <=> C8H10-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00901,'cm^3/(mol*s)'), n=4.34, Ea=(95.1274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25606,8 +25473,8 @@ ) entry( - index = 1749, - label = "C4H4 + C9H11 <=> C9H12 + C4H3", + index = 1740, + label = "C4H4 + C9H11-2 <=> C9H12-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00054,'cm^3/(mol*s)'), n=4.34, Ea=(96.7341,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25619,7 +25486,7 @@ ) entry( - index = 1750, + index = 1741, label = "C4H4 + C2H3 <=> C2H4 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00753,'cm^3/(mol*s)'), n=4.34, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25632,7 +25499,7 @@ ) entry( - index = 1751, + index = 1742, label = "C4H4 + C3H5-2 <=> C3H6-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00519,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25645,8 +25512,8 @@ ) entry( - index = 1752, - label = "C4H4 + C4H5-3 <=> C4H6-4 + C4H3", + index = 1743, + label = "C4H4 + C4H5-7 <=> C4H6-7 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00347,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25658,8 +25525,8 @@ ) entry( - index = 1753, - label = "C4H4 + C6H5 <=> C6H6 + C4H3", + index = 1744, + label = "C4H4 + C6H5-2 <=> C6H6-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00958,'cm^3/(mol*s)'), n=4.34, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25671,8 +25538,8 @@ ) entry( - index = 1754, - label = "C4H4 + C3H3 <=> C3H4-1 + C4H3", + index = 1745, + label = "C4H4 + C3H3-4 <=> C3H4-4 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0214,'cm^3/(mol*s)'), n=4.34, Ea=(85.8557,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25684,8 +25551,8 @@ ) entry( - index = 1755, - label = "CH3_r3 + C3H4-1 <=> CH4b + C3H3", + index = 1746, + label = "CH3-2 + C3H4 <=> CH4-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1548,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25697,8 +25564,8 @@ ) entry( - index = 1756, - label = "C4H4 + CH3S-2 <=> CH3SH_r2 + C4H3", + index = 1747, + label = "C4H4 + CH3S-4 <=> CH4S-4 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00279,'cm^3/(mol*s)'), n=4.34, Ea=(87.2364,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25710,8 +25577,8 @@ ) entry( - index = 1757, - label = "C3H4-1 + C2H5 <=> C2H6 + C3H3", + index = 1748, + label = "C3H4 + C2H5-2 <=> C2H6-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0218,'cm^3/(mol*s)'), n=4.34, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25723,7 +25590,7 @@ ) entry( - index = 1758, + index = 1749, label = "C4H4 + C2H5S <=> C2H6S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00955,'cm^3/(mol*s)'), n=4.34, Ea=(75.3538,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25736,8 +25603,8 @@ ) entry( - index = 1759, - label = "C3H4-1 + C3H7 <=> C3H8 + C3H3", + index = 1750, + label = "C3H4 + C3H7-2 <=> C3H8-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02524,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25749,7 +25616,7 @@ ) entry( - index = 1760, + index = 1751, label = "C4H4 + C3H7S <=> C3H8S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00675,'cm^3/(mol*s)'), n=4.34, Ea=(65.2704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25762,8 +25629,8 @@ ) entry( - index = 1761, - label = "C3H4-1 + C4H9-4 <=> iC4H10b + C3H3", + index = 1752, + label = "C3H4 + C4H9-5 <=> C4H10-5 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0254,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25775,7 +25642,7 @@ ) entry( - index = 1762, + index = 1753, label = "C4H4 + C2H3S-2 <=> C2H4S-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0228,'cm^3/(mol*s)'), n=4.34, Ea=(92.8848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25788,8 +25655,8 @@ ) entry( - index = 1763, - label = "C3H4-1 + C3H5 <=> C3H6 + C3H3", + index = 1754, + label = "C3H4 + C3H5-3 <=> C3H6-3 + C3H3", degeneracy = 8.0, kinetics = Arrhenius(A=(0.2176,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25801,8 +25668,8 @@ ) entry( - index = 1764, - label = "C4H4 + C3H5S <=> C3H6S + C4H3", + index = 1755, + label = "C4H4 + C3H5S-3 <=> C3H6S-3 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0433,'cm^3/(mol*s)'), n=4.34, Ea=(105.018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25814,8 +25681,8 @@ ) entry( - index = 1765, - label = "C3H4-1 + C4H7-4 <=> C4H8-4 + C3H3", + index = 1756, + label = "C3H4 + C4H7-10 <=> C4H8-10 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0676,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25827,7 +25694,7 @@ ) entry( - index = 1766, + index = 1757, label = "C4H4 + C4H7S <=> C4H8S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0243,'cm^3/(mol*s)'), n=4.34, Ea=(115.478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25840,8 +25707,8 @@ ) entry( - index = 1767, - label = "C3H4-1 + C5H9-5 <=> C5H10-3 + C3H3", + index = 1758, + label = "C3H4 + C5H9-6 <=> C5H10-6 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01052,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25853,7 +25720,7 @@ ) entry( - index = 1768, + index = 1759, label = "C4H4 + C2H3S-3 <=> C2H4S-3 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0179,'cm^3/(mol*s)'), n=4.34, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25866,8 +25733,8 @@ ) entry( - index = 1769, - label = "C3H4-1 + C5H7-2 <=> C5H8-2 + C3H3", + index = 1760, + label = "C3H4 + C5H7-2 <=> C5H8-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0852,'cm^3/(mol*s)'), n=4.34, Ea=(86.1904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25879,7 +25746,7 @@ ) entry( - index = 1770, + index = 1761, label = "C4H4 + C3H3S <=> C3H4S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0301,'cm^3/(mol*s)'), n=4.34, Ea=(69.8728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25892,8 +25759,8 @@ ) entry( - index = 1771, - label = "C3H4-1 + C6H9 <=> C6H10 + C3H3", + index = 1762, + label = "C3H4 + C6H9 <=> C6H10 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.003812,'cm^3/(mol*s)'), n=4.34, Ea=(83.68,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25905,8 +25772,8 @@ ) entry( - index = 1772, - label = "C4H4 + C3H5S-2 <=> C3H6S-2 + C4H3", + index = 1763, + label = "C4H4 + C3H5S-4 <=> C3H6S-4 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0452,'cm^3/(mol*s)'), n=4.34, Ea=(121.713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25918,8 +25785,8 @@ ) entry( - index = 1773, - label = "C3H3-2 + C3H4-1 <=> C3H4 + C3H3", + index = 1764, + label = "C3H3-3 + C3H4 <=> C3H4-3 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0556,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25931,7 +25798,7 @@ ) entry( - index = 1774, + index = 1765, label = "C4H4 + C4H7S-2 <=> C4H8S-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00708,'cm^3/(mol*s)'), n=4.34, Ea=(117.236,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25944,8 +25811,8 @@ ) entry( - index = 1775, - label = "C4H5-5 + C3H4-1 <=> C4H6 + C3H3", + index = 1766, + label = "C4H5-6 + C3H4 <=> C4H6-6 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01828,'cm^3/(mol*s)'), n=4.34, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25957,7 +25824,7 @@ ) entry( - index = 1776, + index = 1767, label = "C4H4 + C2H3S2 <=> C2H4S2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.355,'cm^3/(mol*s)'), n=4.34, Ea=(169.703,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25970,8 +25837,8 @@ ) entry( - index = 1777, - label = "C5H7-3 + C3H4-1 <=> C5H8 + C3H3", + index = 1768, + label = "C5H7-3 + C3H4 <=> C5H8-3 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00688,'cm^3/(mol*s)'), n=4.34, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -25983,7 +25850,7 @@ ) entry( - index = 1778, + index = 1769, label = "C4H4 + C3H5S2 <=> C3H6S2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.115,'cm^3/(mol*s)'), n=4.34, Ea=(168.448,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -25996,8 +25863,8 @@ ) entry( - index = 1779, - label = "C5H3 + C3H4-1 <=> C5H4 + C3H3", + index = 1770, + label = "C5H3 + C3H4 <=> C5H4 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02584,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26009,7 +25876,7 @@ ) entry( - index = 1780, + index = 1771, label = "C4H4 + C3H3S-2 <=> C3H4S-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0229,'cm^3/(mol*s)'), n=4.34, Ea=(105.228,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26022,8 +25889,8 @@ ) entry( - index = 1781, - label = "C6H5-2 + C3H4-1 <=> C6H6-2 + C3H3", + index = 1772, + label = "C6H5-3 + C3H4 <=> C6H6-3 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00104,'cm^3/(mol*s)'), n=4.34, Ea=(61.9232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26035,7 +25902,7 @@ ) entry( - index = 1782, + index = 1773, label = "C4H5S + C4H4 <=> C4H6S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.011,'cm^3/(mol*s)'), n=4.34, Ea=(100.625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26048,8 +25915,8 @@ ) entry( - index = 1783, - label = "C3H4-1 + C7H7 <=> C7H8 + C3H3", + index = 1774, + label = "C3H4 + C7H7-5 <=> C7H8-5 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1008,'cm^3/(mol*s)'), n=4.34, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26061,7 +25928,7 @@ ) entry( - index = 1784, + index = 1775, label = "C4H4 + C7H7S <=> C7H8S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0108,'cm^3/(mol*s)'), n=4.34, Ea=(109.202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26074,8 +25941,8 @@ ) entry( - index = 1785, - label = "C3H4-1 + C8H9 <=> C8H10 + C3H3", + index = 1776, + label = "C3H4 + C8H9-2 <=> C8H10-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0424,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26087,7 +25954,7 @@ ) entry( - index = 1786, + index = 1777, label = "C4H4 + C8H9S <=> C8H10S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00476,'cm^3/(mol*s)'), n=4.34, Ea=(98.324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26100,8 +25967,8 @@ ) entry( - index = 1787, - label = "C3H4-1 + C9H11 <=> C9H12 + C3H3", + index = 1778, + label = "C3H4 + C9H11-2 <=> C9H12-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.002088,'cm^3/(mol*s)'), n=4.34, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26113,7 +25980,7 @@ ) entry( - index = 1788, + index = 1779, label = "CHS + C4H4 <=> CH2S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0259,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26126,8 +25993,8 @@ ) entry( - index = 1789, - label = "C2H3 + C3H4-1 <=> C2H4 + C3H3", + index = 1780, + label = "C2H3 + C3H4 <=> C2H4 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1668,'cm^3/(mol*s)'), n=4.34, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26139,8 +26006,8 @@ ) entry( - index = 1790, - label = "C4H4 + C2H3S <=> C2H4S + C4H3", + index = 1781, + label = "C4H4 + C2H3S-4 <=> C2H4S-4 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0202,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26152,8 +26019,8 @@ ) entry( - index = 1791, - label = "C3H4-1 + C3H5-2 <=> C3H6-2 + C3H3", + index = 1782, + label = "C3H4 + C3H5-2 <=> C3H6-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0944,'cm^3/(mol*s)'), n=4.34, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26165,7 +26032,7 @@ ) entry( - index = 1792, + index = 1783, label = "CHS2 + C4H4 <=> CH2S2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0309,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26178,8 +26045,8 @@ ) entry( - index = 1793, - label = "C4H5-3 + C3H4-1 <=> C4H6-4 + C3H3", + index = 1784, + label = "C4H5-7 + C3H4 <=> C4H6-7 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0772,'cm^3/(mol*s)'), n=4.34, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26191,7 +26058,7 @@ ) entry( - index = 1794, + index = 1785, label = "C4H4 + C3H3S-3 <=> C3H4S-3 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0109,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26204,8 +26071,8 @@ ) entry( - index = 1795, - label = "C3H4-1 + C6H5 <=> C6H6 + C3H3", + index = 1786, + label = "C3H4 + C6H5-2 <=> C6H6-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.2124,'cm^3/(mol*s)'), n=4.34, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26217,7 +26084,7 @@ ) entry( - index = 1796, + index = 1787, label = "C4H4 + C3HS <=> C3H2S + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0304,'cm^3/(mol*s)'), n=4.34, Ea=(79.9144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26230,8 +26097,8 @@ ) entry( - index = 1797, - label = "H + CH3SH_r2 <=> H2 + CH3S-2", + index = 1788, + label = "H + CH4S-2 <=> H2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.1668,'cm^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26243,8 +26110,8 @@ ) entry( - index = 1798, - label = "C4H3 + C3H4-1 <=> C4H4 + C3H3", + index = 1789, + label = "C4H3-2 + C3H4 <=> C4H4-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01808,'cm^3/(mol*s)'), n=4.34, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26256,8 +26123,8 @@ ) entry( - index = 1799, - label = "CH3SH_r2 + CH3_r3 <=> CH4b + CH3S-2", + index = 1790, + label = "CH4S-2 + CH3-2 <=> CH4-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00396,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26269,8 +26136,8 @@ ) entry( - index = 1800, - label = "CH3S-2 + C3H4-1 <=> CH3SH_r2 + C3H3", + index = 1791, + label = "CH3S-4 + C3H4 <=> CH4S-4 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0488,'cm^3/(mol*s)'), n=4.34, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26282,8 +26149,8 @@ ) entry( - index = 1801, - label = "CH3SH_r2 + C2H5 <=> C2H6 + CH3S-2", + index = 1792, + label = "CH4S-2 + C2H5-2 <=> C2H6-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000654,'cm^3/(mol*s)'), n=4.34, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26295,8 +26162,8 @@ ) entry( - index = 1802, - label = "C2H5S + C3H4-1 <=> C2H6S + C3H3", + index = 1793, + label = "C2H5S + C3H4 <=> C2H6S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1372,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26308,8 +26175,8 @@ ) entry( - index = 1803, - label = "CH3SH_r2 + C3H7 <=> C3H8 + CH3S-2", + index = 1794, + label = "CH4S-2 + C3H7-2 <=> C3H8-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000888,'cm^3/(mol*s)'), n=4.34, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26321,8 +26188,8 @@ ) entry( - index = 1804, - label = "C3H7S + C3H4-1 <=> C3H8S + C3H3", + index = 1795, + label = "C3H7S + C3H4 <=> C3H8S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0796,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26334,8 +26201,8 @@ ) entry( - index = 1805, - label = "CH3SH_r2 + C4H9-4 <=> iC4H10b + CH3S-2", + index = 1796, + label = "CH4S-2 + C4H9-5 <=> C4H10-5 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00105,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26347,8 +26214,8 @@ ) entry( - index = 1806, - label = "C3H4-1 + C2H3S-2 <=> C2H4S-2 + C3H3", + index = 1797, + label = "C3H4 + C2H3S-2 <=> C2H4S-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.078,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26360,8 +26227,8 @@ ) entry( - index = 1807, - label = "CH3SH_r2 + C3H5 <=> C3H6 + CH3S-2", + index = 1798, + label = "CH4S-2 + C3H5-3 <=> C3H6-3 + CH3S-2", degeneracy = 6.0, kinetics = Arrhenius(A=(0.01692,'cm^3/(mol*s)'), n=4.34, Ea=(65.6888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26373,8 +26240,8 @@ ) entry( - index = 1808, - label = "C3H4-1 + C3H5S <=> C3H6S + C3H3", + index = 1799, + label = "C3H4 + C3H5S-3 <=> C3H6S-3 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1216,'cm^3/(mol*s)'), n=4.34, Ea=(72.3832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26386,8 +26253,8 @@ ) entry( - index = 1809, - label = "CH3SH_r2 + C4H7-4 <=> C4H8-4 + CH3S-2", + index = 1800, + label = "CH4S-2 + C4H7-10 <=> C4H8-10 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00618,'cm^3/(mol*s)'), n=4.34, Ea=(69.8728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26399,8 +26266,8 @@ ) entry( - index = 1810, - label = "C3H4-1 + C4H7S <=> C4H8S + C3H3", + index = 1801, + label = "C3H4 + C4H7S <=> C4H8S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.056,'cm^3/(mol*s)'), n=4.34, Ea=(77.8224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26412,8 +26279,8 @@ ) entry( - index = 1811, - label = "CH3SH_r2 + C5H9-5 <=> C5H10-3 + CH3S-2", + index = 1802, + label = "CH4S-2 + C5H9-6 <=> C5H10-6 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001128,'cm^3/(mol*s)'), n=4.34, Ea=(69.036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26425,8 +26292,8 @@ ) entry( - index = 1812, - label = "C2H3S-3 + C3H4-1 <=> C2H4S-3 + C3H3", + index = 1803, + label = "C2H3S-3 + C3H4 <=> C2H4S-3 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0616,'cm^3/(mol*s)'), n=4.34, Ea=(-13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26438,8 +26305,8 @@ ) entry( - index = 1813, - label = "CH3SH_r2 + C5H7-2 <=> C5H8-2 + CH3S-2", + index = 1804, + label = "CH4S-2 + C5H7-2 <=> C5H8-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.02019,'cm^3/(mol*s)'), n=4.34, Ea=(95.8136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26451,8 +26318,8 @@ ) entry( - index = 1814, - label = "C3H3S + C3H4-1 <=> C3H4S + C3H3", + index = 1805, + label = "C3H3S + C3H4 <=> C3H4S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.668,'cm^3/(mol*s)'), n=4.34, Ea=(68.6176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26464,8 +26331,8 @@ ) entry( - index = 1815, - label = "CH3SH_r2 + C6H9 <=> C6H10 + CH3S-2", + index = 1806, + label = "CH4S-2 + C6H9 <=> C6H10 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001065,'cm^3/(mol*s)'), n=4.34, Ea=(94.9768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26477,8 +26344,8 @@ ) entry( - index = 1816, - label = "C3H5S-2 + C3H4-1 <=> C3H6S-2 + C3H3", + index = 1807, + label = "C3H5S-4 + C3H4 <=> C3H6S-4 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.2056,'cm^3/(mol*s)'), n=4.34, Ea=(64.0152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26490,8 +26357,8 @@ ) entry( - index = 1817, - label = "C3H3-2 + CH3SH_r2 <=> C3H4 + CH3S-2", + index = 1808, + label = "C3H3-3 + CH4S-2 <=> C3H4-3 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00432,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26503,8 +26370,8 @@ ) entry( - index = 1818, - label = "C4H7S-2 + C3H4-1 <=> C4H8S-2 + C3H3", + index = 1809, + label = "C4H7S-2 + C3H4 <=> C4H8S-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0264,'cm^3/(mol*s)'), n=4.34, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26516,8 +26383,8 @@ ) entry( - index = 1819, - label = "C4H5-5 + CH3SH_r2 <=> C4H6 + CH3S-2", + index = 1810, + label = "C4H5-6 + CH4S-2 <=> C4H6-6 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001674,'cm^3/(mol*s)'), n=4.34, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26529,8 +26396,8 @@ ) entry( - index = 1820, - label = "C2H3S2 + C3H4-1 <=> C2H4S2 + C3H3", + index = 1811, + label = "C2H3S2 + C3H4 <=> C2H4S2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.964,'cm^3/(mol*s)'), n=4.34, Ea=(93.3032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26542,8 +26409,8 @@ ) entry( - index = 1821, - label = "C5H7-3 + CH3SH_r2 <=> C5H8 + CH3S-2", + index = 1812, + label = "C5H7-3 + CH4S-2 <=> C5H8-3 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000741,'cm^3/(mol*s)'), n=4.34, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26555,8 +26422,8 @@ ) entry( - index = 1822, - label = "C3H5S2 + C3H4-1 <=> C3H6S2 + C3H3", + index = 1813, + label = "C3H5S2 + C3H4 <=> C3H6S2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.2556,'cm^3/(mol*s)'), n=4.34, Ea=(94.5584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26568,8 +26435,8 @@ ) entry( - index = 1823, - label = "C5H3 + CH3SH_r2 <=> C5H4 + CH3S-2", + index = 1814, + label = "C5H3 + CH4S-2 <=> C5H4 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00612,'cm^3/(mol*s)'), n=4.34, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26581,8 +26448,8 @@ ) entry( - index = 1824, - label = "C3H3S-2 + C3H4-1 <=> C3H4S-2 + C3H3", + index = 1815, + label = "C3H3S-2 + C3H4 <=> C3H4S-2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.1044,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26594,8 +26461,8 @@ ) entry( - index = 1825, - label = "C6H5-2 + CH3SH_r2 <=> C6H6-2 + CH3S-2", + index = 1816, + label = "C6H5-3 + CH4S-2 <=> C6H6-3 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002907,'cm^3/(mol*s)'), n=4.34, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26607,8 +26474,8 @@ ) entry( - index = 1826, - label = "C4H5S + C3H4-1 <=> C4H6S + C3H3", + index = 1817, + label = "C4H5S + C3H4 <=> C4H6S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0412,'cm^3/(mol*s)'), n=4.34, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26620,8 +26487,8 @@ ) entry( - index = 1827, - label = "CH3SH_r2 + C7H7 <=> C7H8 + CH3S-2", + index = 1818, + label = "CH4S-2 + C7H7-5 <=> C7H8-5 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00786,'cm^3/(mol*s)'), n=4.34, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26633,8 +26500,8 @@ ) entry( - index = 1828, - label = "C7H7S + C3H4-1 <=> C7H8S + C3H3", + index = 1819, + label = "C7H7S + C3H4 <=> C7H8S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0492,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26646,8 +26513,8 @@ ) entry( - index = 1829, - label = "CH3SH_r2 + C8H9 <=> C8H10 + CH3S-2", + index = 1820, + label = "CH4S-2 + C8H9-2 <=> C8H10-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0039,'cm^3/(mol*s)'), n=4.34, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26659,8 +26526,8 @@ ) entry( - index = 1830, - label = "C8H9S + C3H4-1 <=> C8H10S + C3H3", + index = 1821, + label = "C8H9S + C3H4 <=> C8H10S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.01776,'cm^3/(mol*s)'), n=4.34, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26672,8 +26539,8 @@ ) entry( - index = 1831, - label = "CH3SH_r2 + C9H11 <=> C9H12 + CH3S-2", + index = 1822, + label = "CH4S-2 + C9H11-2 <=> C9H12-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002244,'cm^3/(mol*s)'), n=4.34, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26685,8 +26552,8 @@ ) entry( - index = 1832, - label = "CHS + C3H4-1 <=> CH2S + C3H3", + index = 1823, + label = "CHS + C3H4 <=> CH2S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.576,'cm^3/(mol*s)'), n=4.34, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26698,8 +26565,8 @@ ) entry( - index = 1833, - label = "C2H3 + CH3SH_r2 <=> C2H4 + CH3S-2", + index = 1824, + label = "C2H3 + CH4S-2 <=> C2H4 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00426,'cm^3/(mol*s)'), n=4.34, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26711,8 +26578,8 @@ ) entry( - index = 1834, - label = "C3H4-1 + C2H3S <=> C2H4S + C3H3", + index = 1825, + label = "C3H4 + C2H3S-4 <=> C2H4S-4 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.3672,'cm^3/(mol*s)'), n=4.34, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26724,8 +26591,8 @@ ) entry( - index = 1835, - label = "CH3SH_r2 + C3H5-2 <=> C3H6-2 + CH3S-2", + index = 1826, + label = "CH4S-2 + C3H5-2 <=> C3H6-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002832,'cm^3/(mol*s)'), n=4.34, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26737,8 +26604,8 @@ ) entry( - index = 1836, - label = "CHS2 + C3H4-1 <=> CH2S2 + C3H3", + index = 1827, + label = "CHS2 + C3H4 <=> CH2S2 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.544,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26750,8 +26617,8 @@ ) entry( - index = 1837, - label = "CH3SH_r2 + C4H5-3 <=> C4H6-4 + CH3S-2", + index = 1828, + label = "CH4S-2 + C4H5-7 <=> C4H6-7 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001968,'cm^3/(mol*s)'), n=4.34, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26763,8 +26630,8 @@ ) entry( - index = 1838, - label = "C3H4-1 + C3H3S-3 <=> C3H4S-3 + C3H3", + index = 1829, + label = "C3H4 + C3H3S-3 <=> C3H4S-3 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.2412,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26776,8 +26643,8 @@ ) entry( - index = 1839, - label = "CH3SH_r2 + C6H5 <=> C6H6 + CH3S-2", + index = 1830, + label = "CH4S-2 + C6H5-2 <=> C6H6-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00543,'cm^3/(mol*s)'), n=4.34, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26789,8 +26656,8 @@ ) entry( - index = 1840, - label = "C3HS + C3H4-1 <=> C3H2S + C3H3", + index = 1831, + label = "C3HS + C3H4 <=> C3H2S + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.676,'cm^3/(mol*s)'), n=4.34, Ea=(78.6592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26802,8 +26669,8 @@ ) entry( - index = 1841, - label = "C3H3 + CH3SH_r2 <=> C3H4-1 + CH3S-2", + index = 1832, + label = "C3H3-4 + CH4S-2 <=> C3H4-4 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00957,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26815,7 +26682,7 @@ ) entry( - index = 1842, + index = 1833, label = "H + C4H4 <=> H2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.295,'cm^3/(mol*s)'), n=4.34, Ea=(18.1586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -26828,8 +26695,8 @@ ) entry( - index = 1843, - label = "C2H5S + CH3SH_r2 <=> C2H6S + CH3S-2", + index = 1834, + label = "C2H5S + CH4S-2 <=> C2H6S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001371,'cm^3/(mol*s)'), n=4.34, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26841,8 +26708,8 @@ ) entry( - index = 1844, - label = "C3H7S + CH3SH_r2 <=> C3H8S + CH3S-2", + index = 1835, + label = "C3H7S + CH4S-2 <=> C3H8S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000933,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26854,8 +26721,8 @@ ) entry( - index = 1845, - label = "CH3SH_r2 + C2H3S-2 <=> C2H4S-2 + CH3S-2", + index = 1836, + label = "CH4S-2 + C2H3S-2 <=> C2H4S-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00309,'cm^3/(mol*s)'), n=4.34, Ea=(75.7304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26867,8 +26734,8 @@ ) entry( - index = 1846, - label = "CH3SH_r2 + C3H5S <=> C3H6S + CH3S-2", + index = 1837, + label = "CH4S-2 + C3H5S-3 <=> C3H6S-3 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00564,'cm^3/(mol*s)'), n=4.34, Ea=(84.9352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26880,8 +26747,8 @@ ) entry( - index = 1847, - label = "CH3SH_r2 + C4H7S <=> C4H8S + CH3S-2", + index = 1838, + label = "CH4S-2 + C4H7S <=> C4H8S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00306,'cm^3/(mol*s)'), n=4.34, Ea=(92.048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26893,8 +26760,8 @@ ) entry( - index = 1848, - label = "C2H3S-3 + CH3SH_r2 <=> C2H4S-3 + CH3S-2", + index = 1839, + label = "C2H3S-3 + CH4S-2 <=> C2H4S-3 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002421,'cm^3/(mol*s)'), n=4.34, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26906,8 +26773,8 @@ ) entry( - index = 1849, - label = "CH3SH_r2 + C3H3S <=> C3H4S + CH3S-2", + index = 1840, + label = "CH4S-2 + C3H3S <=> C3H4S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01704,'cm^3/(mol*s)'), n=4.34, Ea=(68.6176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26919,8 +26786,8 @@ ) entry( - index = 1850, - label = "C3H5S-2 + CH3SH_r2 <=> C3H6S-2 + CH3S-2", + index = 1841, + label = "C3H5S-4 + CH4S-2 <=> C3H6S-4 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00531,'cm^3/(mol*s)'), n=4.34, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26932,8 +26799,8 @@ ) entry( - index = 1851, - label = "C4H7S-2 + CH3SH_r2 <=> C4H8S-2 + CH3S-2", + index = 1842, + label = "C4H7S-2 + CH4S-2 <=> C4H8S-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000804,'cm^3/(mol*s)'), n=4.34, Ea=(69.036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26945,8 +26812,8 @@ ) entry( - index = 1852, - label = "C2H3S2 + CH3SH_r2 <=> C2H4S2 + CH3S-2", + index = 1843, + label = "C2H3S2 + CH4S-2 <=> C2H4S2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0126,'cm^3/(mol*s)'), n=4.34, Ea=(107.11,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26958,8 +26825,8 @@ ) entry( - index = 1853, - label = "C3H5S2 + CH3SH_r2 <=> C3H6S2 + CH3S-2", + index = 1844, + label = "C3H5S2 + CH4S-2 <=> C3H6S2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00393,'cm^3/(mol*s)'), n=4.34, Ea=(110.039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26971,8 +26838,8 @@ ) entry( - index = 1854, - label = "C3H3S-2 + CH3SH_r2 <=> C3H4S-2 + CH3S-2", + index = 1845, + label = "C3H3S-2 + CH4S-2 <=> C3H4S-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002697,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26984,8 +26851,8 @@ ) entry( - index = 1855, - label = "C4H5S + CH3SH_r2 <=> C4H6S + CH3S-2", + index = 1846, + label = "C4H5S + CH4S-2 <=> C4H6S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001248,'cm^3/(mol*s)'), n=4.34, Ea=(64.0152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -26997,8 +26864,8 @@ ) entry( - index = 1856, - label = "C7H7S + CH3SH_r2 <=> C7H8S + CH3S-2", + index = 1847, + label = "C7H7S + CH4S-2 <=> C7H8S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001275,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27010,8 +26877,8 @@ ) entry( - index = 1857, - label = "C8H9S + CH3SH_r2 <=> C8H10S + CH3S-2", + index = 1848, + label = "C8H9S + CH4S-2 <=> C8H10S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00054,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27023,8 +26890,8 @@ ) entry( - index = 1858, - label = "CHS + CH3SH_r2 <=> CH2S + CH3S-2", + index = 1849, + label = "CHS + CH4S-2 <=> CH2S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01467,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27036,8 +26903,8 @@ ) entry( - index = 1859, - label = "CH3SH_r2 + C2H3S <=> C2H4S + CH3S-2", + index = 1850, + label = "CH4S-2 + C2H3S-4 <=> C2H4S-4 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01101,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27049,8 +26916,8 @@ ) entry( - index = 1860, - label = "CHS2 + CH3SH_r2 <=> CH2S2 + CH3S-2", + index = 1851, + label = "CHS2 + CH4S-2 <=> CH2S2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00459,'cm^3/(mol*s)'), n=4.34, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27062,8 +26929,8 @@ ) entry( - index = 1861, - label = "CH3SH_r2 + C3H3S-3 <=> C3H4S-3 + CH3S-2", + index = 1852, + label = "CH4S-2 + C3H3S-3 <=> C3H4S-3 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00615,'cm^3/(mol*s)'), n=4.34, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27075,8 +26942,8 @@ ) entry( - index = 1862, - label = "C3HS + CH3SH_r2 <=> C3H2S + CH3S-2", + index = 1853, + label = "C3HS + CH4S-2 <=> C3H2S + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01722,'cm^3/(mol*s)'), n=4.34, Ea=(79.0776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27088,8 +26955,8 @@ ) entry( - index = 1863, - label = "H + C2H6S <=> H2 + C2H5S", + index = 1854, + label = "H + C2H6S-2 <=> H2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.262,'cm^3/(mol*s)'), n=4.34, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27101,8 +26968,8 @@ ) entry( - index = 1864, - label = "C2H6S + CH3_r3 <=> CH4b + C2H5S", + index = 1855, + label = "C2H6S-2 + CH3-2 <=> CH4-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00618,'cm^3/(mol*s)'), n=4.34, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27114,8 +26981,8 @@ ) entry( - index = 1865, - label = "C2H6S + C2H5 <=> C2H6 + C2H5S", + index = 1856, + label = "C2H6S-2 + C2H5-2 <=> C2H6-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000836,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27127,8 +26994,8 @@ ) entry( - index = 1866, - label = "C2H6S + C3H7 <=> C3H8 + C2H5S", + index = 1857, + label = "C2H6S-2 + C3H7-2 <=> C3H8-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000928,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27140,8 +27007,8 @@ ) entry( - index = 1867, - label = "C2H6S + C4H9-4 <=> iC4H10b + C2H5S", + index = 1858, + label = "C2H6S-2 + C4H9-5 <=> C4H10-5 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000896,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27153,8 +27020,8 @@ ) entry( - index = 1868, - label = "C2H6S + C3H5 <=> C3H6 + C2H5S", + index = 1859, + label = "C2H6S-2 + C3H5-3 <=> C3H6-3 + C2H5S-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.02176,'cm^3/(mol*s)'), n=4.34, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27166,8 +27033,8 @@ ) entry( - index = 1869, - label = "C2H6S + C4H7-4 <=> C4H8-4 + C2H5S", + index = 1860, + label = "C2H6S-2 + C4H7-10 <=> C4H8-10 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00646,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27179,8 +27046,8 @@ ) entry( - index = 1870, - label = "C2H6S + C5H9-5 <=> C5H10-3 + C2H5S", + index = 1861, + label = "C2H6S-2 + C5H9-6 <=> C5H10-6 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000966,'cm^3/(mol*s)'), n=4.34, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27192,8 +27059,8 @@ ) entry( - index = 1871, - label = "C2H6S + C5H7-2 <=> C5H8-2 + C2H5S", + index = 1862, + label = "C2H6S-2 + C5H7-2 <=> C5H8-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0212,'cm^3/(mol*s)'), n=4.34, Ea=(80.7512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27205,8 +27072,8 @@ ) entry( - index = 1872, - label = "C2H6S + C6H9 <=> C6H10 + C2H5S", + index = 1863, + label = "C2H6S-2 + C6H9 <=> C6H10 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000916,'cm^3/(mol*s)'), n=4.34, Ea=(78.6592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27218,8 +27085,8 @@ ) entry( - index = 1873, - label = "C3H3-2 + C2H6S <=> C3H4 + C2H5S", + index = 1864, + label = "C3H3-3 + C2H6S-2 <=> C3H4-3 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00554,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27231,8 +27098,8 @@ ) entry( - index = 1874, - label = "C4H5-5 + C2H6S <=> C4H6 + C2H5S", + index = 1865, + label = "C4H5-6 + C2H6S-2 <=> C4H6-6 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001754,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27244,8 +27111,8 @@ ) entry( - index = 1875, - label = "C5H7-3 + C2H6S <=> C5H8 + C2H5S", + index = 1866, + label = "C5H7-3 + C2H6S-2 <=> C5H8-3 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000634,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27257,8 +27124,8 @@ ) entry( - index = 1876, - label = "C5H3 + C2H6S <=> C5H4 + C2H5S", + index = 1867, + label = "C5H3 + C2H6S-2 <=> C5H4 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00646,'cm^3/(mol*s)'), n=4.34, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27270,8 +27137,8 @@ ) entry( - index = 1877, - label = "C6H5-2 + C2H6S <=> C6H6-2 + C2H5S", + index = 1868, + label = "C6H5-3 + C2H6S-2 <=> C6H6-3 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00025,'cm^3/(mol*s)'), n=4.34, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27283,8 +27150,8 @@ ) entry( - index = 1878, - label = "C2H6S + C7H7 <=> C7H8 + C2H5S", + index = 1869, + label = "C2H6S-2 + C7H7-5 <=> C7H8-5 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01008,'cm^3/(mol*s)'), n=4.34, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27296,8 +27163,8 @@ ) entry( - index = 1879, - label = "C2H6S + C8H9 <=> C8H10 + C2H5S", + index = 1870, + label = "C2H6S-2 + C8H9-2 <=> C8H10-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00408,'cm^3/(mol*s)'), n=4.34, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27309,8 +27176,8 @@ ) entry( - index = 1880, - label = "C2H6S + C9H11 <=> C9H12 + C2H5S", + index = 1871, + label = "C2H6S-2 + C9H11-2 <=> C9H12-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001922,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27322,8 +27189,8 @@ ) entry( - index = 1881, - label = "C2H3 + C2H6S <=> C2H4 + C2H5S", + index = 1872, + label = "C2H3 + C2H6S-2 <=> C2H4 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00666,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27335,8 +27202,8 @@ ) entry( - index = 1882, - label = "C2H6S + C3H5-2 <=> C3H6-2 + C2H5S", + index = 1873, + label = "C2H6S-2 + C3H5-2 <=> C3H6-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00362,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27348,8 +27215,8 @@ ) entry( - index = 1883, - label = "C2H6S + C4H5-3 <=> C4H6-4 + C2H5S", + index = 1874, + label = "C2H6S-2 + C4H5-7 <=> C4H6-7 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00308,'cm^3/(mol*s)'), n=4.34, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27361,8 +27228,8 @@ ) entry( - index = 1884, - label = "C2H6S + C6H5 <=> C6H6 + C2H5S", + index = 1875, + label = "C2H6S-2 + C6H5-2 <=> C6H6-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00848,'cm^3/(mol*s)'), n=4.34, Ea=(-12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27374,8 +27241,8 @@ ) entry( - index = 1885, - label = "C3H3 + C2H6S <=> C3H4-1 + C2H5S", + index = 1876, + label = "C3H3-4 + C2H6S-2 <=> C3H4-4 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0123,'cm^3/(mol*s)'), n=4.34, Ea=(43.932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27387,8 +27254,8 @@ ) entry( - index = 1886, - label = "CH3S-2 + C2H6S <=> CH3SH_r2 + C2H5S", + index = 1877, + label = "CH3S-4 + C2H6S-2 <=> CH4S-4 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000626,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27400,8 +27267,8 @@ ) entry( - index = 1887, - label = "C3H7S + C2H6S <=> C3H8S + C2H5S", + index = 1878, + label = "C3H7S + C2H6S-2 <=> C3H8S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00094,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27413,8 +27280,8 @@ ) entry( - index = 1888, - label = "C2H6S + C2H3S-2 <=> C2H4S-2 + C2H5S", + index = 1879, + label = "C2H6S-2 + C2H3S-2 <=> C2H4S-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0033,'cm^3/(mol*s)'), n=4.34, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27426,8 +27293,8 @@ ) entry( - index = 1889, - label = "C2H6S + C3H5S <=> C3H6S + C2H5S", + index = 1880, + label = "C2H6S-2 + C3H5S-3 <=> C3H6S-3 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00492,'cm^3/(mol*s)'), n=4.34, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27439,8 +27306,8 @@ ) entry( - index = 1890, - label = "C2H6S + C4H7S <=> C4H8S + C2H5S", + index = 1881, + label = "C2H6S-2 + C4H7S <=> C4H8S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00218,'cm^3/(mol*s)'), n=4.34, Ea=(77.404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27452,8 +27319,8 @@ ) entry( - index = 1891, - label = "C2H3S-3 + C2H6S <=> C2H4S-3 + C2H5S", + index = 1882, + label = "C2H3S-3 + C2H6S-2 <=> C2H4S-3 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0026,'cm^3/(mol*s)'), n=4.34, Ea=(-15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27465,8 +27332,8 @@ ) entry( - index = 1892, - label = "C2H6S + C3H3S <=> C3H4S + C2H5S", + index = 1883, + label = "C2H6S-2 + C3H3S <=> C3H4S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0266,'cm^3/(mol*s)'), n=4.34, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27478,8 +27345,8 @@ ) entry( - index = 1893, - label = "C3H5S-2 + C2H6S <=> C3H6S-2 + C2H5S", + index = 1884, + label = "C3H5S-4 + C2H6S-2 <=> C3H6S-4 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00658,'cm^3/(mol*s)'), n=4.34, Ea=(58.1576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27491,8 +27358,8 @@ ) entry( - index = 1894, - label = "C4H7S-2 + C2H6S <=> C4H8S-2 + C2H5S", + index = 1885, + label = "C4H7S-2 + C2H6S-2 <=> C4H8S-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000812,'cm^3/(mol*s)'), n=4.34, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27504,8 +27371,8 @@ ) entry( - index = 1895, - label = "C2H3S2 + C2H6S <=> C2H4S2 + C2H5S", + index = 1886, + label = "C2H3S2 + C2H6S-2 <=> C2H4S2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.013,'cm^3/(mol*s)'), n=4.34, Ea=(94.3492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27517,8 +27384,8 @@ ) entry( - index = 1896, - label = "C3H5S2 + C2H6S <=> C3H6S2 + C2H5S", + index = 1887, + label = "C3H5S2 + C2H6S-2 <=> C3H6S2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00332,'cm^3/(mol*s)'), n=4.34, Ea=(93.3032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27530,8 +27397,8 @@ ) entry( - index = 1897, - label = "C3H3S-2 + C2H6S <=> C3H4S-2 + C2H5S", + index = 1888, + label = "C3H3S-2 + C2H6S-2 <=> C3H4S-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00334,'cm^3/(mol*s)'), n=4.34, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27543,8 +27410,8 @@ ) entry( - index = 1898, - label = "C4H5S + C2H6S <=> C4H6S + C2H5S", + index = 1889, + label = "C4H5S + C2H6S-2 <=> C4H6S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00126,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27556,8 +27423,8 @@ ) entry( - index = 1899, - label = "C7H7S + C2H6S <=> C7H8S + C2H5S", + index = 1890, + label = "C7H7S + C2H6S-2 <=> C7H8S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001576,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27569,8 +27436,8 @@ ) entry( - index = 1900, - label = "C8H9S + C2H6S <=> C8H10S + C2H5S", + index = 1891, + label = "C8H9S + C2H6S-2 <=> C8H10S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000546,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27582,8 +27449,8 @@ ) entry( - index = 1901, - label = "CHS + C2H6S <=> CH2S + C2H5S", + index = 1892, + label = "CHS + C2H6S-2 <=> CH2S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.023,'cm^3/(mol*s)'), n=4.34, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27595,8 +27462,8 @@ ) entry( - index = 1902, - label = "C2H6S + C2H3S <=> C2H4S + C2H5S", + index = 1893, + label = "C2H6S-2 + C2H3S-4 <=> C2H4S-4 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01406,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27608,8 +27475,8 @@ ) entry( - index = 1903, - label = "CHS2 + C2H6S <=> CH2S2 + C2H5S", + index = 1894, + label = "CHS2 + C2H6S-2 <=> CH2S2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00694,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27621,8 +27488,8 @@ ) entry( - index = 1904, - label = "C2H6S + C3H3S-3 <=> C3H4S-3 + C2H5S", + index = 1895, + label = "C2H6S-2 + C3H3S-3 <=> C3H4S-3 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00962,'cm^3/(mol*s)'), n=4.34, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27634,8 +27501,8 @@ ) entry( - index = 1905, - label = "C3HS + C2H6S <=> C3H2S + C2H5S", + index = 1896, + label = "C3HS + C2H6S-2 <=> C3H2S + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.027,'cm^3/(mol*s)'), n=4.34, Ea=(72.8016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27647,8 +27514,8 @@ ) entry( - index = 1906, - label = "H + C3H8S <=> H2 + C3H7S", + index = 1897, + label = "H + C3H8S-2 <=> H2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0699,'cm^3/(mol*s)'), n=4.34, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27660,8 +27527,8 @@ ) entry( - index = 1907, - label = "C3H8S + CH3_r3 <=> CH4b + C3H7S", + index = 1898, + label = "C3H8S-2 + CH3-2 <=> CH4-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00166,'cm^3/(mol*s)'), n=4.34, Ea=(14.3511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27673,8 +27540,8 @@ ) entry( - index = 1908, - label = "C3H8S + C2H5 <=> C2H6 + C3H7S", + index = 1899, + label = "C3H8S-2 + C2H5-2 <=> C2H6-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000183,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27686,8 +27553,8 @@ ) entry( - index = 1909, - label = "C4H3 + CH3SH_r2 <=> C4H4 + CH3S-2", + index = 1900, + label = "C4H3-2 + CH4S-2 <=> C4H4-2 + CH3S-2", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000462,'cm^3/(mol*s)'), n=4.34, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27699,8 +27566,8 @@ ) entry( - index = 1910, - label = "C3H8S + C3H7 <=> C3H8 + C3H7S", + index = 1901, + label = "C3H8S-2 + C3H7-2 <=> C3H8-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000166,'cm^3/(mol*s)'), n=4.34, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27712,8 +27579,8 @@ ) entry( - index = 1911, - label = "C3H8S + C4H9-4 <=> iC4H10b + C3H7S", + index = 1902, + label = "C3H8S-2 + C4H9-5 <=> C4H10-5 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000131,'cm^3/(mol*s)'), n=4.34, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27725,8 +27592,8 @@ ) entry( - index = 1912, - label = "C3H8S + C3H5 <=> C3H6 + C3H7S", + index = 1903, + label = "C3H8S-2 + C3H5-3 <=> C3H6-3 + C3H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00478,'cm^3/(mol*s)'), n=4.34, Ea=(51.6306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27738,8 +27605,8 @@ ) entry( - index = 1913, - label = "C3H8S + C4H7-4 <=> C4H8-4 + C3H7S", + index = 1904, + label = "C3H8S-2 + C4H7-10 <=> C4H8-10 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00116,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27751,8 +27618,8 @@ ) entry( - index = 1914, - label = "C3H8S + C5H9-5 <=> C5H10-3 + C3H7S", + index = 1905, + label = "C3H8S-2 + C5H9-6 <=> C5H10-6 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000142,'cm^3/(mol*s)'), n=4.34, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27764,8 +27631,8 @@ ) entry( - index = 1915, - label = "C3H8S + C5H7-2 <=> C5H8-2 + C3H7S", + index = 1906, + label = "C3H8S-2 + C5H7-2 <=> C5H8-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00383,'cm^3/(mol*s)'), n=4.34, Ea=(77.9479,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27777,8 +27644,8 @@ ) entry( - index = 1916, - label = "C3H8S + C6H9 <=> C6H10 + C3H7S", + index = 1907, + label = "C3H8S-2 + C6H9 <=> C6H10 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000135,'cm^3/(mol*s)'), n=4.34, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27790,8 +27657,8 @@ ) entry( - index = 1917, - label = "C3H3-2 + C3H8S <=> C3H4 + C3H7S", + index = 1908, + label = "C3H3-3 + C3H8S-2 <=> C3H4-3 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00122,'cm^3/(mol*s)'), n=4.34, Ea=(46.6098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27803,8 +27670,8 @@ ) entry( - index = 1918, - label = "C4H5-5 + C3H8S <=> C4H6 + C3H7S", + index = 1909, + label = "C4H5-6 + C3H8S-2 <=> C4H6-6 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000315,'cm^3/(mol*s)'), n=4.34, Ea=(33.7649,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27816,8 +27683,8 @@ ) entry( - index = 1919, - label = "C5H7-3 + C3H8S <=> C5H8 + C3H7S", + index = 1910, + label = "C5H7-3 + C3H8S-2 <=> C5H8-3 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.28e-05,'cm^3/(mol*s)'), n=4.34, Ea=(31.631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27829,8 +27696,8 @@ ) entry( - index = 1920, - label = "C5H3 + C3H8S <=> C5H4 + C3H7S", + index = 1911, + label = "C5H3 + C3H8S-2 <=> C5H4 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00116,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27842,8 +27709,8 @@ ) entry( - index = 1921, - label = "C6H5-2 + C3H8S <=> C6H6-2 + C3H7S", + index = 1912, + label = "C6H5-3 + C3H8S-2 <=> C6H6-3 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.68e-05,'cm^3/(mol*s)'), n=4.34, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27855,8 +27722,8 @@ ) entry( - index = 1922, - label = "C3H8S + C7H7 <=> C7H8 + C3H7S", + index = 1913, + label = "C3H8S-2 + C7H7-5 <=> C7H8-5 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00221,'cm^3/(mol*s)'), n=4.34, Ea=(40.8024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27868,8 +27735,8 @@ ) entry( - index = 1923, - label = "C3H8S + C8H9 <=> C8H10 + C3H7S", + index = 1914, + label = "C3H8S-2 + C8H9-2 <=> C8H10-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000732,'cm^3/(mol*s)'), n=4.34, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27881,8 +27748,8 @@ ) entry( - index = 1924, - label = "C3H8S + C9H11 <=> C9H12 + C3H7S", + index = 1915, + label = "C3H8S-2 + C9H11-2 <=> C9H12-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.82e-05,'cm^3/(mol*s)'), n=4.34, Ea=(31.4637,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27894,8 +27761,8 @@ ) entry( - index = 1925, - label = "C2H3 + C3H8S <=> C2H4 + C3H7S", + index = 1916, + label = "C2H3 + C3H8S-2 <=> C2H4 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00179,'cm^3/(mol*s)'), n=4.34, Ea=(-7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27907,8 +27774,8 @@ ) entry( - index = 1926, - label = "C3H8S + C3H5-2 <=> C3H6-2 + C3H7S", + index = 1917, + label = "C3H8S-2 + C3H5-2 <=> C3H6-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000791,'cm^3/(mol*s)'), n=4.34, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27920,8 +27787,8 @@ ) entry( - index = 1927, - label = "C3H8S + C4H5-3 <=> C4H6-4 + C3H7S", + index = 1918, + label = "C3H8S-2 + C4H5-7 <=> C4H6-7 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000824,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27933,8 +27800,8 @@ ) entry( - index = 1928, - label = "C3H8S + C6H5 <=> C6H6 + C3H7S", + index = 1919, + label = "C3H8S-2 + C6H5-2 <=> C6H6-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00227,'cm^3/(mol*s)'), n=4.34, Ea=(-19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27946,8 +27813,8 @@ ) entry( - index = 1929, - label = "C3H3 + C3H8S <=> C3H4-1 + C3H7S", + index = 1920, + label = "C3H3-4 + C3H8S-2 <=> C3H4-4 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0027,'cm^3/(mol*s)'), n=4.34, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27959,8 +27826,8 @@ ) entry( - index = 1930, - label = "CH3S-2 + C3H8S <=> CH3SH_r2 + C3H7S", + index = 1921, + label = "CH3S-4 + C3H8S-2 <=> CH4S-4 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000162,'cm^3/(mol*s)'), n=4.34, Ea=(21.966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27972,8 +27839,8 @@ ) entry( - index = 1931, - label = "C2H5S + C3H8S <=> C2H6S + C3H7S", + index = 1922, + label = "C2H5S + C3H8S-2 <=> C2H6S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000356,'cm^3/(mol*s)'), n=4.34, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27985,8 +27852,8 @@ ) entry( - index = 1932, - label = "C3H8S + C2H3S-2 <=> C2H4S-2 + C3H7S", + index = 1923, + label = "C3H8S-2 + C2H3S-2 <=> C2H4S-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000603,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -27998,8 +27865,8 @@ ) entry( - index = 1933, - label = "C3H8S + C3H5S <=> C3H6S + C3H7S", + index = 1924, + label = "C3H8S-2 + C3H5S-3 <=> C3H6S-3 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000736,'cm^3/(mol*s)'), n=4.34, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28011,8 +27878,8 @@ ) entry( - index = 1934, - label = "C3H8S + C4H7S <=> C4H8S + C3H7S", + index = 1925, + label = "C3H8S-2 + C4H7S <=> C4H8S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000266,'cm^3/(mol*s)'), n=4.34, Ea=(63.1784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28024,8 +27891,8 @@ ) entry( - index = 1935, - label = "C2H3S-3 + C3H8S <=> C2H4S-3 + C3H7S", + index = 1926, + label = "C2H3S-3 + C3H8S-2 <=> C2H4S-3 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000474,'cm^3/(mol*s)'), n=4.34, Ea=(-28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28037,8 +27904,8 @@ ) entry( - index = 1936, - label = "C3H8S + C3H3S <=> C3H4S + C3H7S", + index = 1927, + label = "C3H8S-2 + C3H3S <=> C3H4S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00713,'cm^3/(mol*s)'), n=4.34, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28050,8 +27917,8 @@ ) entry( - index = 1937, - label = "C3H5S-2 + C3H8S <=> C3H6S-2 + C3H7S", + index = 1928, + label = "C3H5S-4 + C3H8S-2 <=> C3H6S-4 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00139,'cm^3/(mol*s)'), n=4.34, Ea=(56.4422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28063,8 +27930,8 @@ ) entry( - index = 1938, - label = "C4H7S-2 + C3H8S <=> C4H8S-2 + C3H7S", + index = 1929, + label = "C4H7S-2 + C3H8S-2 <=> C4H8S-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00014,'cm^3/(mol*s)'), n=4.34, Ea=(51.9653,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28076,8 +27943,8 @@ ) entry( - index = 1939, - label = "C2H3S2 + C3H8S <=> C2H4S2 + C3H7S", + index = 1930, + label = "C2H3S2 + C3H8S-2 <=> C2H4S2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00229,'cm^3/(mol*s)'), n=4.34, Ea=(104.433,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28089,8 +27956,8 @@ ) entry( - index = 1940, - label = "C3H5S2 + C3H8S <=> C3H6S2 + C3H7S", + index = 1931, + label = "C3H5S2 + C3H8S-2 <=> C3H6S2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000477,'cm^3/(mol*s)'), n=4.34, Ea=(103.177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28102,8 +27969,8 @@ ) entry( - index = 1941, - label = "C3H3S-2 + C3H8S <=> C3H4S-2 + C3H7S", + index = 1932, + label = "C3H3S-2 + C3H8S-2 <=> C3H4S-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000707,'cm^3/(mol*s)'), n=4.34, Ea=(39.9572,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28115,8 +27982,8 @@ ) entry( - index = 1942, - label = "C4H5S + C3H8S <=> C4H6S + C3H7S", + index = 1933, + label = "C4H5S + C3H8S-2 <=> C4H6S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000218,'cm^3/(mol*s)'), n=4.34, Ea=(35.3548,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28128,8 +27995,8 @@ ) entry( - index = 1943, - label = "C7H7S + C3H8S <=> C7H8S + C3H7S", + index = 1934, + label = "C7H7S + C3H8S-2 <=> C7H8S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000334,'cm^3/(mol*s)'), n=4.34, Ea=(43.932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28141,8 +28008,8 @@ ) entry( - index = 1944, - label = "C8H9S + C3H8S <=> C8H10S + C3H7S", + index = 1935, + label = "C8H9S + C3H8S-2 <=> C8H10S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.44e-05,'cm^3/(mol*s)'), n=4.34, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28154,8 +28021,8 @@ ) entry( - index = 1945, - label = "CHS + C3H8S <=> CH2S + C3H7S", + index = 1936, + label = "CHS + C3H8S-2 <=> CH2S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00615,'cm^3/(mol*s)'), n=4.34, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28167,8 +28034,8 @@ ) entry( - index = 1946, - label = "C3H8S + C2H3S <=> C2H4S + C3H7S", + index = 1937, + label = "C3H8S-2 + C2H3S-4 <=> C2H4S-4 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00308,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28180,8 +28047,8 @@ ) entry( - index = 1947, - label = "CHS2 + C3H8S <=> CH2S2 + C3H7S", + index = 1938, + label = "CHS2 + C3H8S-2 <=> CH2S2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00179,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28193,8 +28060,8 @@ ) entry( - index = 1948, - label = "C3H8S + C3H3S-3 <=> C3H4S-3 + C3H7S", + index = 1939, + label = "C3H8S-2 + C3H3S-3 <=> C3H4S-3 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00258,'cm^3/(mol*s)'), n=4.34, Ea=(51.4632,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28206,8 +28073,8 @@ ) entry( - index = 1949, - label = "C3HS + C3H8S <=> C3H2S + C3H7S", + index = 1940, + label = "C3HS + C3H8S-2 <=> C3H2S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00721,'cm^3/(mol*s)'), n=4.34, Ea=(66.5256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28219,8 +28086,8 @@ ) entry( - index = 1950, - label = "H + C2H4S-2 <=> H2 + C2H3S-2", + index = 1941, + label = "H + C2H4S-5 <=> H2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.417,'cm^3/(mol*s)'), n=4.34, Ea=(3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28232,8 +28099,8 @@ ) entry( - index = 1951, - label = "CH3_r3 + C2H4S-2 <=> CH4b + C2H3S-2", + index = 1942, + label = "CH3-2 + C2H4S-5 <=> CH4-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0099,'cm^3/(mol*s)'), n=4.34, Ea=(16.485,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28245,8 +28112,8 @@ ) entry( - index = 1952, - label = "C2H4S-2 + C2H5 <=> C2H6 + C2H3S-2", + index = 1943, + label = "C2H4S-5 + C2H5-2 <=> C2H6-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001161,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28258,8 +28125,8 @@ ) entry( - index = 1953, - label = "C2H4S-2 + C3H7 <=> C3H8 + C2H3S-2", + index = 1944, + label = "C2H4S-5 + C3H7-2 <=> C3H8-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001122,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28271,8 +28138,8 @@ ) entry( - index = 1954, - label = "C4H3 + C2H6S <=> C4H4 + C2H5S", + index = 1945, + label = "C4H3-2 + C2H6S-2 <=> C4H4-2 + C2H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000722,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28284,8 +28151,8 @@ ) entry( - index = 1955, - label = "C2H4S-2 + C4H9-4 <=> iC4H10b + C2H3S-2", + index = 1946, + label = "C2H4S-5 + C4H9-5 <=> C4H10-5 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000939,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28297,8 +28164,8 @@ ) entry( - index = 1956, - label = "C3H5 + C2H4S-2 <=> C3H6 + C2H3S-2", + index = 1947, + label = "C3H5-3 + C2H4S-5 <=> C3H6-3 + C2H3S-5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.00828,'cm^3/(mol*s)'), n=4.34, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28310,8 +28177,8 @@ ) entry( - index = 1957, - label = "C4H7-4 + C2H4S-2 <=> C4H8-4 + C2H3S-2", + index = 1948, + label = "C4H7-10 + C2H4S-5 <=> C4H8-10 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002139,'cm^3/(mol*s)'), n=4.34, Ea=(73.6384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28323,8 +28190,8 @@ ) entry( - index = 1958, - label = "C5H9-5 + C2H4S-2 <=> C5H10-3 + C2H3S-2", + index = 1949, + label = "C5H9-6 + C2H4S-5 <=> C5H10-6 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002778,'cm^3/(mol*s)'), n=4.34, Ea=(75.7304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28336,8 +28203,8 @@ ) entry( - index = 1959, - label = "C5H7-2 + C2H4S-2 <=> C5H8-2 + C2H3S-2", + index = 1950, + label = "C5H7-2 + C2H4S-5 <=> C5H8-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001929,'cm^3/(mol*s)'), n=4.34, Ea=(108.366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28349,8 +28216,8 @@ ) entry( - index = 1960, - label = "C6H9 + C2H4S-2 <=> C6H10 + C2H3S-2", + index = 1951, + label = "C6H9 + C2H4S-5 <=> C6H10 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(7.2e-05,'cm^3/(mol*s)'), n=4.34, Ea=(110.039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28362,8 +28229,8 @@ ) entry( - index = 1961, - label = "C3H3-2 + C2H4S-2 <=> C3H4 + C2H3S-2", + index = 1952, + label = "C3H3-3 + C2H4S-5 <=> C3H4-3 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002904,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28375,8 +28242,8 @@ ) entry( - index = 1962, - label = "C4H5-5 + C2H4S-2 <=> C4H6 + C2H3S-2", + index = 1953, + label = "C4H5-6 + C2H4S-5 <=> C4H6-6 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000798,'cm^3/(mol*s)'), n=4.34, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28388,8 +28255,8 @@ ) entry( - index = 1963, - label = "C5H7-3 + C2H4S-2 <=> C5H8 + C2H3S-2", + index = 1954, + label = "C5H7-3 + C2H4S-5 <=> C5H8-3 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002502,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28401,8 +28268,8 @@ ) entry( - index = 1964, - label = "C5H3 + C2H4S-2 <=> C5H4 + C2H3S-2", + index = 1955, + label = "C5H3 + C2H4S-5 <=> C5H4 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001104,'cm^3/(mol*s)'), n=4.34, Ea=(84.0984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28414,8 +28281,8 @@ ) entry( - index = 1965, - label = "C6H5-2 + C2H4S-2 <=> C6H6-2 + C2H3S-2", + index = 1956, + label = "C6H5-3 + C2H4S-5 <=> C6H6-3 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(3.72e-05,'cm^3/(mol*s)'), n=4.34, Ea=(88.7008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28427,8 +28294,8 @@ ) entry( - index = 1966, - label = "C7H7 + C2H4S-2 <=> C7H8 + C2H3S-2", + index = 1957, + label = "C7H7-5 + C2H4S-5 <=> C7H8-5 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00384,'cm^3/(mol*s)'), n=4.34, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28440,8 +28307,8 @@ ) entry( - index = 1967, - label = "C2H4S-2 + C8H9 <=> C8H10 + C2H3S-2", + index = 1958, + label = "C2H4S-5 + C8H9-2 <=> C8H10-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00135,'cm^3/(mol*s)'), n=4.34, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28453,8 +28320,8 @@ ) entry( - index = 1968, - label = "C2H4S-2 + C9H11 <=> C9H12 + C2H3S-2", + index = 1959, + label = "C2H4S-5 + C9H11-2 <=> C9H12-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(5.52e-05,'cm^3/(mol*s)'), n=4.34, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28466,8 +28333,8 @@ ) entry( - index = 1969, - label = "C2H3 + C2H4S-2 <=> C2H4 + C2H3S-2", + index = 1960, + label = "C2H3 + C2H4S-5 <=> C2H4 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01068,'cm^3/(mol*s)'), n=4.34, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28479,8 +28346,8 @@ ) entry( - index = 1970, - label = "C3H5-2 + C2H4S-2 <=> C3H6-2 + C2H3S-2", + index = 1961, + label = "C3H5-2 + C2H4S-5 <=> C3H6-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00504,'cm^3/(mol*s)'), n=4.34, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28492,8 +28359,8 @@ ) entry( - index = 1971, - label = "C4H5-3 + C2H4S-2 <=> C4H6-4 + C2H3S-2", + index = 1962, + label = "C4H5-7 + C2H4S-5 <=> C4H6-7 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00492,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28505,8 +28372,8 @@ ) entry( - index = 1972, - label = "C6H5 + C2H4S-2 <=> C6H6 + C2H3S-2", + index = 1963, + label = "C6H5-2 + C2H4S-5 <=> C6H6-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01359,'cm^3/(mol*s)'), n=4.34, Ea=(-17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28518,8 +28385,8 @@ ) entry( - index = 1973, - label = "C3H3 + C2H4S-2 <=> C3H4-1 + C2H3S-2", + index = 1964, + label = "C3H3-4 + C2H4S-5 <=> C3H4-4 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00468,'cm^3/(mol*s)'), n=4.34, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28531,8 +28398,8 @@ ) entry( - index = 1974, - label = "CH3S-2 + C2H4S-2 <=> CH3SH_r2 + C2H3S-2", + index = 1965, + label = "CH3S-4 + C2H4S-5 <=> CH4S-4 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000945,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28544,8 +28411,8 @@ ) entry( - index = 1975, - label = "C2H5S + C2H4S-2 <=> C2H6S + C2H3S-2", + index = 1966, + label = "C2H5S + C2H4S-5 <=> C2H6S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002208,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28557,8 +28424,8 @@ ) entry( - index = 1976, - label = "C3H7S + C2H4S-2 <=> C3H8S + C2H3S-2", + index = 1967, + label = "C3H7S + C2H4S-5 <=> C3H8S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001068,'cm^3/(mol*s)'), n=4.34, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28570,8 +28437,8 @@ ) entry( - index = 1977, - label = "C3H5S + C2H4S-2 <=> C3H6S + C2H3S-2", + index = 1968, + label = "C3H5S-3 + C2H4S-5 <=> C3H6S-3 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01095,'cm^3/(mol*s)'), n=4.34, Ea=(93.3032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28583,8 +28450,8 @@ ) entry( - index = 1978, - label = "C4H7S + C2H4S-2 <=> C4H8S + C2H3S-2", + index = 1969, + label = "C4H7S + C2H4S-5 <=> C4H8S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0042,'cm^3/(mol*s)'), n=4.34, Ea=(103.345,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28596,8 +28463,8 @@ ) entry( - index = 1979, - label = "C2H3S-3 + C2H4S-2 <=> C2H4S-3 + C2H3S-2", + index = 1970, + label = "C2H3S-3 + C2H4S-5 <=> C2H4S-3 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00663,'cm^3/(mol*s)'), n=4.34, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28609,8 +28476,8 @@ ) entry( - index = 1980, - label = "C3H3S + C2H4S-2 <=> C3H4S + C2H3S-2", + index = 1971, + label = "C3H3S + C2H4S-5 <=> C3H4S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0426,'cm^3/(mol*s)'), n=4.34, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28622,8 +28489,8 @@ ) entry( - index = 1981, - label = "C3H5S-2 + C2H4S-2 <=> C3H6S-2 + C2H3S-2", + index = 1972, + label = "C3H5S-4 + C2H4S-5 <=> C3H6S-4 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.002358,'cm^3/(mol*s)'), n=4.34, Ea=(81.588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28635,8 +28502,8 @@ ) entry( - index = 1982, - label = "C4H7S-2 + C2H4S-2 <=> C4H8S-2 + C2H3S-2", + index = 1973, + label = "C4H7S-2 + C2H4S-5 <=> C4H8S-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0002526,'cm^3/(mol*s)'), n=4.34, Ea=(81.588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28648,8 +28515,8 @@ ) entry( - index = 1983, - label = "C2H3S2 + C2H4S-2 <=> C2H4S2 + C2H3S-2", + index = 1974, + label = "C2H3S2 + C2H4S-5 <=> C2H4S2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0312,'cm^3/(mol*s)'), n=4.34, Ea=(121.336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28661,8 +28528,8 @@ ) entry( - index = 1984, - label = "C3H5S2 + C2H4S-2 <=> C3H6S2 + C2H3S-2", + index = 1975, + label = "C3H5S2 + C2H4S-5 <=> C3H6S2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00693,'cm^3/(mol*s)'), n=4.34, Ea=(126.775,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28674,8 +28541,8 @@ ) entry( - index = 1985, - label = "C3H3S-2 + C2H4S-2 <=> C3H4S-2 + C2H3S-2", + index = 1976, + label = "C3H3S-2 + C2H4S-5 <=> C3H4S-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001644,'cm^3/(mol*s)'), n=4.34, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28687,8 +28554,8 @@ ) entry( - index = 1986, - label = "C4H5S + C2H4S-2 <=> C4H6S + C2H3S-2", + index = 1977, + label = "C4H5S + C2H4S-5 <=> C4H6S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00054,'cm^3/(mol*s)'), n=4.34, Ea=(76.5672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28700,8 +28567,8 @@ ) entry( - index = 1987, - label = "C7H7S + C2H4S-2 <=> C7H8S + C2H3S-2", + index = 1978, + label = "C7H7S + C2H4S-5 <=> C7H8S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.000564,'cm^3/(mol*s)'), n=4.34, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28713,8 +28580,8 @@ ) entry( - index = 1988, - label = "C8H9S + C2H4S-2 <=> C8H10S + C2H3S-2", + index = 1979, + label = "C8H9S + C2H4S-5 <=> C8H10S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0001701,'cm^3/(mol*s)'), n=4.34, Ea=(68.1992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28726,8 +28593,8 @@ ) entry( - index = 1989, - label = "CHS + C2H4S-2 <=> CH2S + C2H3S-2", + index = 1980, + label = "CHS + C2H4S-5 <=> CH2S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0369,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28739,8 +28606,8 @@ ) entry( - index = 1990, - label = "C2H4S-2 + C2H3S <=> C2H4S + C2H3S-2", + index = 1981, + label = "C2H4S-5 + C2H3S-4 <=> C2H4S-4 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01956,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28752,8 +28619,8 @@ ) entry( - index = 1991, - label = "CHS2 + C2H4S-2 <=> CH2S2 + C2H3S-2", + index = 1982, + label = "CHS2 + C2H4S-5 <=> CH2S2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01044,'cm^3/(mol*s)'), n=4.34, Ea=(51.4632,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28765,8 +28632,8 @@ ) entry( - index = 1992, - label = "C3H3S-3 + C2H4S-2 <=> C3H4S-3 + C2H3S-2", + index = 1983, + label = "C3H3S-3 + C2H4S-5 <=> C3H4S-3 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.01542,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28778,8 +28645,8 @@ ) entry( - index = 1993, - label = "C3HS + C2H4S-2 <=> C3H2S + C2H3S-2", + index = 1984, + label = "C3HS + C2H4S-5 <=> C3H2S + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.0432,'cm^3/(mol*s)'), n=4.34, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28791,7 +28658,7 @@ ) entry( - index = 1994, + index = 1985, label = "H + C3H6S <=> H2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.396,'cm^3/(mol*s)'), n=4.34, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -28804,8 +28671,8 @@ ) entry( - index = 1995, - label = "CH3_r3 + C3H6S <=> CH4b + C3H5S", + index = 1986, + label = "CH3-2 + C3H6S <=> CH4-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00938,'cm^3/(mol*s)'), n=4.34, Ea=(27.8236,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28817,8 +28684,8 @@ ) entry( - index = 1996, - label = "C3H6S + C2H5 <=> C2H6 + C3H5S", + index = 1987, + label = "C3H6S + C2H5-2 <=> C2H6-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0009,'cm^3/(mol*s)'), n=4.34, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28830,8 +28697,8 @@ ) entry( - index = 1997, - label = "C3H6S + C3H7 <=> C3H8 + C3H5S", + index = 1988, + label = "C3H6S + C3H7-2 <=> C3H8-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000708,'cm^3/(mol*s)'), n=4.34, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28843,8 +28710,8 @@ ) entry( - index = 1998, - label = "C3H6S + C4H9-4 <=> iC4H10b + C3H5S", + index = 1989, + label = "C3H6S + C4H9-5 <=> C4H10-5 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000484,'cm^3/(mol*s)'), n=4.34, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28856,8 +28723,8 @@ ) entry( - index = 1999, - label = "C4H3 + C3H8S <=> C4H4 + C3H7S", + index = 1990, + label = "C4H3-2 + C3H8S-2 <=> C4H4-2 + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000193,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28869,8 +28736,8 @@ ) entry( - index = 2000, - label = "C3H5 + C3H6S <=> C3H6 + C3H5S", + index = 1991, + label = "C3H5-3 + C3H6S <=> C3H6-3 + C3H5S", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00644,'cm^3/(mol*s)'), n=4.34, Ea=(65.103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28882,8 +28749,8 @@ ) entry( - index = 2001, - label = "C4H7-4 + C3H6S <=> C4H8-4 + C3H5S", + index = 1992, + label = "C4H7-10 + C3H6S <=> C4H8-10 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001358,'cm^3/(mol*s)'), n=4.34, Ea=(53.2205,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28895,8 +28762,8 @@ ) entry( - index = 2002, - label = "C5H9-5 + C3H6S <=> C5H10-3 + C3H5S", + index = 1993, + label = "C5H9-6 + C3H6S <=> C5H10-6 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000144,'cm^3/(mol*s)'), n=4.34, Ea=(48.7018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28908,7 +28775,7 @@ ) entry( - index = 2003, + index = 1994, label = "C5H7-2 + C3H6S <=> C5H8-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00123,'cm^3/(mol*s)'), n=4.34, Ea=(91.4204,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -28921,7 +28788,7 @@ ) entry( - index = 2004, + index = 1995, label = "C6H9 + C3H6S <=> C6H10 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(3.76e-05,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -28934,8 +28801,8 @@ ) entry( - index = 2005, - label = "C3H3-2 + C3H6S <=> C3H4 + C3H5S", + index = 1996, + label = "C3H3-3 + C3H6S <=> C3H4-3 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00226,'cm^3/(mol*s)'), n=4.34, Ea=(60.0822,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28947,8 +28814,8 @@ ) entry( - index = 2006, - label = "C4H5-5 + C3H6S <=> C4H6 + C3H5S", + index = 1997, + label = "C4H5-6 + C3H6S <=> C4H6-6 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000506,'cm^3/(mol*s)'), n=4.34, Ea=(47.2374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28960,8 +28827,8 @@ ) entry( - index = 2007, - label = "C5H7-3 + C3H6S <=> C5H8 + C3H5S", + index = 1998, + label = "C5H7-3 + C3H6S <=> C5H8-3 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001296,'cm^3/(mol*s)'), n=4.34, Ea=(45.1035,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28973,7 +28840,7 @@ ) entry( - index = 2008, + index = 1999, label = "C5H3 + C3H6S <=> C5H4 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000704,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -28986,8 +28853,8 @@ ) entry( - index = 2009, - label = "C6H5-2 + C3H6S <=> C6H6-2 + C3H5S", + index = 2000, + label = "C6H5-3 + C3H6S <=> C6H6-3 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(1.934e-05,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -28999,8 +28866,8 @@ ) entry( - index = 2010, - label = "C7H7 + C3H6S <=> C7H8 + C3H5S", + index = 2001, + label = "C7H7-5 + C3H6S <=> C7H8-5 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00298,'cm^3/(mol*s)'), n=4.34, Ea=(54.2748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29012,8 +28879,8 @@ ) entry( - index = 2011, - label = "C3H6S + C8H9 <=> C8H10 + C3H5S", + index = 2002, + label = "C3H6S + C8H9-2 <=> C8H10-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000858,'cm^3/(mol*s)'), n=4.34, Ea=(43.3295,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29025,8 +28892,8 @@ ) entry( - index = 2012, - label = "C3H6S + C9H11 <=> C9H12 + C3H5S", + index = 2003, + label = "C3H6S + C9H11-2 <=> C9H12-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(2.86e-05,'cm^3/(mol*s)'), n=4.34, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29038,7 +28905,7 @@ ) entry( - index = 2013, + index = 2004, label = "C2H3 + C3H6S <=> C2H4 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01012,'cm^3/(mol*s)'), n=4.34, Ea=(-11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29051,7 +28918,7 @@ ) entry( - index = 2014, + index = 2005, label = "C3H5-2 + C3H6S <=> C3H6-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0039,'cm^3/(mol*s)'), n=4.34, Ea=(-15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29064,8 +28931,8 @@ ) entry( - index = 2015, - label = "C4H5-3 + C3H6S <=> C4H6-4 + C3H5S", + index = 2006, + label = "C4H5-7 + C3H6S <=> C4H6-7 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00466,'cm^3/(mol*s)'), n=4.34, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29077,8 +28944,8 @@ ) entry( - index = 2016, - label = "C3H6S + C6H5 <=> C6H6 + C3H5S", + index = 2007, + label = "C3H6S + C6H5-2 <=> C6H6-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01288,'cm^3/(mol*s)'), n=4.34, Ea=(-23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29090,8 +28957,8 @@ ) entry( - index = 2017, - label = "C3H3 + C3H6S <=> C3H4-1 + C3H5S", + index = 2008, + label = "C3H3-4 + C3H6S <=> C3H4-4 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00364,'cm^3/(mol*s)'), n=4.34, Ea=(34.0578,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29103,8 +28970,8 @@ ) entry( - index = 2018, - label = "CH3S-2 + C3H6S <=> CH3SH_r2 + C3H5S", + index = 2009, + label = "CH3S-4 + C3H6S <=> CH4S-4 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000862,'cm^3/(mol*s)'), n=4.34, Ea=(35.4385,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29116,7 +28983,7 @@ ) entry( - index = 2019, + index = 2010, label = "C2H5S + C3H6S <=> C2H6S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001646,'cm^3/(mol*s)'), n=4.34, Ea=(23.5559,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29129,7 +28996,7 @@ ) entry( - index = 2020, + index = 2011, label = "C3H7S + C3H6S <=> C3H8S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00065,'cm^3/(mol*s)'), n=4.34, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29142,7 +29009,7 @@ ) entry( - index = 2021, + index = 2012, label = "C2H3S-2 + C3H6S <=> C2H4S-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00546,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29155,7 +29022,7 @@ ) entry( - index = 2022, + index = 2013, label = "C4H7S + C3H6S <=> C4H8S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001816,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29168,7 +29035,7 @@ ) entry( - index = 2023, + index = 2014, label = "C2H3S-3 + C3H6S <=> C2H4S-3 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0043,'cm^3/(mol*s)'), n=4.34, Ea=(-42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29181,7 +29048,7 @@ ) entry( - index = 2024, + index = 2015, label = "C3H3S + C3H6S <=> C3H4S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0404,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29194,8 +29061,8 @@ ) entry( - index = 2025, - label = "C3H5S-2 + C3H6S <=> C3H6S-2 + C3H5S", + index = 2016, + label = "C3H5S-4 + C3H6S <=> C3H6S-4 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001766,'cm^3/(mol*s)'), n=4.34, Ea=(69.9146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29207,7 +29074,7 @@ ) entry( - index = 2026, + index = 2017, label = "C4H7S-2 + C3H6S <=> C4H8S-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001546,'cm^3/(mol*s)'), n=4.34, Ea=(65.4378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29220,7 +29087,7 @@ ) entry( - index = 2027, + index = 2018, label = "C2H3S2 + C3H6S <=> C2H4S2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01954,'cm^3/(mol*s)'), n=4.34, Ea=(117.905,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29233,7 +29100,7 @@ ) entry( - index = 2028, + index = 2019, label = "C3H5S2 + C3H6S <=> C3H6S2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00354,'cm^3/(mol*s)'), n=4.34, Ea=(116.65,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29246,7 +29113,7 @@ ) entry( - index = 2029, + index = 2020, label = "C3H3S-2 + C3H6S <=> C3H4S-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001232,'cm^3/(mol*s)'), n=4.34, Ea=(53.4297,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29259,7 +29126,7 @@ ) entry( - index = 2030, + index = 2021, label = "C4H5S + C3H6S <=> C4H6S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00033,'cm^3/(mol*s)'), n=4.34, Ea=(48.8273,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29272,7 +29139,7 @@ ) entry( - index = 2031, + index = 2022, label = "C7H7S + C3H6S <=> C7H8S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000424,'cm^3/(mol*s)'), n=4.34, Ea=(57.4045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29285,7 +29152,7 @@ ) entry( - index = 2032, + index = 2023, label = "C8H9S + C3H6S <=> C8H10S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000104,'cm^3/(mol*s)'), n=4.34, Ea=(46.5261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29298,7 +29165,7 @@ ) entry( - index = 2033, + index = 2024, label = "CHS + C3H6S <=> CH2S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0348,'cm^3/(mol*s)'), n=4.34, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29311,8 +29178,8 @@ ) entry( - index = 2034, - label = "C3H6S + C2H3S <=> C2H4S + C3H5S", + index = 2025, + label = "C3H6S + C2H3S-4 <=> C2H4S-4 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01514,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29324,7 +29191,7 @@ ) entry( - index = 2035, + index = 2026, label = "CHS2 + C3H6S <=> CH2S2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00954,'cm^3/(mol*s)'), n=4.34, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29337,7 +29204,7 @@ ) entry( - index = 2036, + index = 2027, label = "C3H3S-3 + C3H6S <=> C3H4S-3 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0146,'cm^3/(mol*s)'), n=4.34, Ea=(47.6976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29350,7 +29217,7 @@ ) entry( - index = 2037, + index = 2028, label = "C3HS + C3H6S <=> C3H2S + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0408,'cm^3/(mol*s)'), n=4.34, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -29363,8 +29230,8 @@ ) entry( - index = 2038, - label = "H + C4H8S <=> H2 + C4H7S", + index = 2029, + label = "H + C4H8S-3 <=> H2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.131,'cm^3/(mol*s)'), n=4.34, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29376,8 +29243,8 @@ ) entry( - index = 2039, - label = "CH3_r3 + C4H8S <=> CH4b + C4H7S", + index = 2030, + label = "CH3-2 + C4H8S-3 <=> CH4-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0031,'cm^3/(mol*s)'), n=4.34, Ea=(36.861,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29389,8 +29256,8 @@ ) entry( - index = 2040, - label = "C4H8S + C2H5 <=> C2H6 + C4H7S", + index = 2031, + label = "C4H8S-3 + C2H5-2 <=> C2H6-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000242,'cm^3/(mol*s)'), n=4.34, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29402,8 +29269,8 @@ ) entry( - index = 2041, - label = "C4H8S + C3H7 <=> C3H8 + C4H7S", + index = 2032, + label = "C4H8S-3 + C3H7-2 <=> C3H8-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000156,'cm^3/(mol*s)'), n=4.34, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29415,8 +29282,8 @@ ) entry( - index = 2042, - label = "C4H8S + C4H9-4 <=> iC4H10b + C4H7S", + index = 2033, + label = "C4H8S-3 + C4H9-5 <=> C4H10-5 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(8.72e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29428,8 +29295,8 @@ ) entry( - index = 2043, - label = "C3H5 + C4H8S <=> C3H6 + C4H7S", + index = 2034, + label = "C3H5-3 + C4H8S-3 <=> C3H6-3 + C4H7S-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001744,'cm^3/(mol*s)'), n=4.34, Ea=(74.1405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29441,8 +29308,8 @@ ) entry( - index = 2044, - label = "C4H3 + C2H4S-2 <=> C4H4 + C2H3S-2", + index = 2035, + label = "C4H3-2 + C2H4S-5 <=> C4H4-2 + C2H3S-5", degeneracy = 3.0, kinetics = Arrhenius(A=(0.001158,'cm^3/(mol*s)'), n=4.34, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29454,8 +29321,8 @@ ) entry( - index = 2045, - label = "C4H7-4 + C4H8S <=> C4H8-4 + C4H7S", + index = 2036, + label = "C4H7-10 + C4H8S-3 <=> C4H8-10 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0003,'cm^3/(mol*s)'), n=4.34, Ea=(62.2579,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29467,8 +29334,8 @@ ) entry( - index = 2046, - label = "C5H9-5 + C4H8S <=> C5H10-3 + C4H7S", + index = 2037, + label = "C5H9-6 + C4H8S-3 <=> C5H10-6 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.6e-05,'cm^3/(mol*s)'), n=4.34, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29480,8 +29347,8 @@ ) entry( - index = 2047, - label = "C5H7-2 + C4H8S <=> C5H8-2 + C4H7S", + index = 2038, + label = "C5H7-2 + C4H8S-3 <=> C5H8-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000273,'cm^3/(mol*s)'), n=4.34, Ea=(100.458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29493,8 +29360,8 @@ ) entry( - index = 2048, - label = "C6H9 + C4H8S <=> C6H10 + C4H7S", + index = 2039, + label = "C6H9 + C4H8S-3 <=> C6H10 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(6.81e-06,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29506,8 +29373,8 @@ ) entry( - index = 2049, - label = "C3H3-2 + C4H8S <=> C3H4 + C4H7S", + index = 2040, + label = "C3H3-3 + C4H8S-3 <=> C3H4-3 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000611,'cm^3/(mol*s)'), n=4.34, Ea=(69.1197,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29519,8 +29386,8 @@ ) entry( - index = 2050, - label = "C4H5-5 + C4H8S <=> C4H6 + C4H7S", + index = 2041, + label = "C4H5-6 + C4H8S-3 <=> C4H6-6 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000112,'cm^3/(mol*s)'), n=4.34, Ea=(56.2748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29532,8 +29399,8 @@ ) entry( - index = 2051, - label = "C5H7-3 + C4H8S <=> C5H8 + C4H7S", + index = 2042, + label = "C5H7-3 + C4H8S-3 <=> C5H8-3 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.34e-05,'cm^3/(mol*s)'), n=4.34, Ea=(54.141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29545,8 +29412,8 @@ ) entry( - index = 2052, - label = "C5H3 + C4H8S <=> C5H4 + C4H7S", + index = 2043, + label = "C5H3 + C4H8S-3 <=> C5H4 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000156,'cm^3/(mol*s)'), n=4.34, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29558,8 +29425,8 @@ ) entry( - index = 2053, - label = "C6H5-2 + C4H8S <=> C6H6-2 + C4H7S", + index = 2044, + label = "C6H5-3 + C4H8S-3 <=> C6H6-3 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(3.51e-06,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29571,8 +29438,8 @@ ) entry( - index = 2054, - label = "C7H7 + C4H8S <=> C7H8 + C4H7S", + index = 2045, + label = "C7H7-5 + C4H8S-3 <=> C7H8-5 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000808,'cm^3/(mol*s)'), n=4.34, Ea=(63.3123,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29584,8 +29451,8 @@ ) entry( - index = 2055, - label = "C4H8S + C8H9 <=> C8H10 + C4H7S", + index = 2046, + label = "C4H8S-3 + C8H9-2 <=> C8H10-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00019,'cm^3/(mol*s)'), n=4.34, Ea=(52.3669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29597,8 +29464,8 @@ ) entry( - index = 2056, - label = "C4H8S + C9H11 <=> C9H12 + C4H7S", + index = 2047, + label = "C4H8S-3 + C9H11-2 <=> C9H12-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(5.17e-06,'cm^3/(mol*s)'), n=4.34, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29610,8 +29477,8 @@ ) entry( - index = 2057, - label = "C2H3 + C4H8S <=> C2H4 + C4H7S", + index = 2048, + label = "C2H3 + C4H8S-3 <=> C2H4 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00334,'cm^3/(mol*s)'), n=4.34, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29623,8 +29490,8 @@ ) entry( - index = 2058, - label = "C3H5-2 + C4H8S <=> C3H6-2 + C4H7S", + index = 2049, + label = "C3H5-2 + C4H8S-3 <=> C3H6-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00105,'cm^3/(mol*s)'), n=4.34, Ea=(-21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29636,8 +29503,8 @@ ) entry( - index = 2059, - label = "C4H5-3 + C4H8S <=> C4H6-4 + C4H7S", + index = 2050, + label = "C4H5-7 + C4H8S-3 <=> C4H6-7 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00154,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29649,8 +29516,8 @@ ) entry( - index = 2060, - label = "C6H5 + C4H8S <=> C6H6 + C4H7S", + index = 2051, + label = "C6H5-2 + C4H8S-3 <=> C6H6-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00425,'cm^3/(mol*s)'), n=4.34, Ea=(-28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29662,8 +29529,8 @@ ) entry( - index = 2061, - label = "C3H3 + C4H8S <=> C3H4-1 + C4H7S", + index = 2052, + label = "C3H3-4 + C4H8S-3 <=> C3H4-4 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000986,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29675,8 +29542,8 @@ ) entry( - index = 2062, - label = "CH3S-2 + C4H8S <=> CH3SH_r2 + C4H7S", + index = 2053, + label = "CH3S-4 + C4H8S-3 <=> CH4S-4 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000274,'cm^3/(mol*s)'), n=4.34, Ea=(44.4759,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29688,8 +29555,8 @@ ) entry( - index = 2063, - label = "C2H5S + C4H8S <=> C2H6S + C4H7S", + index = 2054, + label = "C2H5S + C4H8S-3 <=> C2H6S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000428,'cm^3/(mol*s)'), n=4.34, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29701,8 +29568,8 @@ ) entry( - index = 2064, - label = "C3H7S + C4H8S <=> C3H8S + C4H7S", + index = 2055, + label = "C3H7S + C4H8S-3 <=> C3H8S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000138,'cm^3/(mol*s)'), n=4.34, Ea=(-15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29714,8 +29581,8 @@ ) entry( - index = 2065, - label = "C2H3S-2 + C4H8S <=> C2H4S-2 + C4H7S", + index = 2056, + label = "C2H3S-2 + C4H8S-3 <=> C2H4S-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00123,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29727,8 +29594,8 @@ ) entry( - index = 2066, - label = "C3H5S + C4H8S <=> C3H6S + C4H7S", + index = 2057, + label = "C3H5S-3 + C4H8S-3 <=> C3H6S-3 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00107,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29740,8 +29607,8 @@ ) entry( - index = 2067, - label = "C2H3S-3 + C4H8S <=> C2H4S-3 + C4H7S", + index = 2058, + label = "C2H3S-3 + C4H8S-3 <=> C2H4S-3 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000969,'cm^3/(mol*s)'), n=4.34, Ea=(-54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29753,8 +29620,8 @@ ) entry( - index = 2068, - label = "C3H3S + C4H8S <=> C3H4S + C4H7S", + index = 2059, + label = "C3H3S + C4H8S-3 <=> C3H4S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0133,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29766,8 +29633,8 @@ ) entry( - index = 2069, - label = "C3H5S-2 + C4H8S <=> C3H6S-2 + C4H7S", + index = 2060, + label = "C3H5S-4 + C4H8S-3 <=> C3H6S-4 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000461,'cm^3/(mol*s)'), n=4.34, Ea=(78.9521,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29779,8 +29646,8 @@ ) entry( - index = 2070, - label = "C4H7S-2 + C4H8S <=> C4H8S-2 + C4H7S", + index = 2061, + label = "C4H7S-2 + C4H8S-3 <=> C4H8S-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(3.3e-05,'cm^3/(mol*s)'), n=4.34, Ea=(74.4752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29792,8 +29659,8 @@ ) entry( - index = 2071, - label = "C2H3S2 + C4H8S <=> C2H4S2 + C4H7S", + index = 2062, + label = "C2H3S2 + C4H8S-3 <=> C2H4S2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00425,'cm^3/(mol*s)'), n=4.34, Ea=(126.943,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29805,8 +29672,8 @@ ) entry( - index = 2072, - label = "C3H5S2 + C4H8S <=> C3H6S2 + C4H7S", + index = 2063, + label = "C3H5S2 + C4H8S-3 <=> C3H6S2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000627,'cm^3/(mol*s)'), n=4.34, Ea=(125.687,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29818,8 +29685,8 @@ ) entry( - index = 2073, - label = "C3H3S-2 + C4H8S <=> C3H4S-2 + C4H7S", + index = 2064, + label = "C3H3S-2 + C4H8S-3 <=> C3H4S-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000321,'cm^3/(mol*s)'), n=4.34, Ea=(62.4671,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29831,8 +29698,8 @@ ) entry( - index = 2074, - label = "C4H5S + C4H8S <=> C4H6S + C4H7S", + index = 2065, + label = "C4H5S + C4H8S-3 <=> C4H6S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(7.03e-05,'cm^3/(mol*s)'), n=4.34, Ea=(57.8647,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29844,8 +29711,8 @@ ) entry( - index = 2075, - label = "C7H7S + C4H8S <=> C7H8S + C4H7S", + index = 2066, + label = "C7H7S + C4H8S-3 <=> C7H8S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00011,'cm^3/(mol*s)'), n=4.34, Ea=(66.4419,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29857,8 +29724,8 @@ ) entry( - index = 2076, - label = "C8H9S + C4H8S <=> C8H10S + C4H7S", + index = 2067, + label = "C8H9S + C4H8S-3 <=> C8H10S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.22e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29870,8 +29737,8 @@ ) entry( - index = 2077, - label = "CHS + C4H8S <=> CH2S + C4H7S", + index = 2068, + label = "CHS + C4H8S-3 <=> CH2S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0115,'cm^3/(mol*s)'), n=4.34, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29883,8 +29750,8 @@ ) entry( - index = 2078, - label = "C4H8S + C2H3S <=> C2H4S + C4H7S", + index = 2069, + label = "C4H8S-3 + C2H3S-4 <=> C2H4S-4 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00408,'cm^3/(mol*s)'), n=4.34, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29896,8 +29763,8 @@ ) entry( - index = 2079, - label = "CHS2 + C4H8S <=> CH2S2 + C4H7S", + index = 2070, + label = "CHS2 + C4H8S-3 <=> CH2S2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00304,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29909,8 +29776,8 @@ ) entry( - index = 2080, - label = "C3H3S-3 + C4H8S <=> C3H4S-3 + C4H7S", + index = 2071, + label = "C3H3S-3 + C4H8S-3 <=> C3H4S-3 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00482,'cm^3/(mol*s)'), n=4.34, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29922,8 +29789,8 @@ ) entry( - index = 2081, - label = "C3HS + C4H8S <=> C3H2S + C4H7S", + index = 2072, + label = "C3HS + C4H8S-3 <=> C3H2S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0135,'cm^3/(mol*s)'), n=4.34, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29935,8 +29802,8 @@ ) entry( - index = 2082, - label = "H + C2H4S-3 <=> H2 + C2H3S-3", + index = 2073, + label = "H + C2H4S-6 <=> H2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.187,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29948,8 +29815,8 @@ ) entry( - index = 2083, - label = "C2H4S-3 + CH3_r3 <=> CH4b + C2H3S-3", + index = 2074, + label = "C2H4S-6 + CH3-2 <=> CH4-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00444,'cm^3/(mol*s)'), n=4.34, Ea=(70.5004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29961,8 +29828,8 @@ ) entry( - index = 2084, - label = "C2H4S-3 + C2H5 <=> C2H6 + C2H3S-3", + index = 2075, + label = "C2H4S-6 + C2H5-2 <=> C2H6-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000521,'cm^3/(mol*s)'), n=4.34, Ea=(53.8062,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29974,8 +29841,8 @@ ) entry( - index = 2085, - label = "C2H4S-3 + C3H7 <=> C3H8 + C2H3S-3", + index = 2076, + label = "C2H4S-6 + C3H7-2 <=> C3H8-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000502,'cm^3/(mol*s)'), n=4.34, Ea=(42.8442,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -29987,8 +29854,8 @@ ) entry( - index = 2086, - label = "C2H4S-3 + C4H9-4 <=> iC4H10b + C2H3S-3", + index = 2077, + label = "C2H4S-6 + C4H9-5 <=> C4H10-5 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000421,'cm^3/(mol*s)'), n=4.34, Ea=(38.3254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30000,8 +29867,8 @@ ) entry( - index = 2087, - label = "C2H4S-3 + C3H5 <=> C3H6 + C2H3S-3", + index = 2078, + label = "C2H4S-6 + C3H5-3 <=> C3H6-3 + C2H3S-6", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00372,'cm^3/(mol*s)'), n=4.34, Ea=(107.78,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30013,8 +29880,8 @@ ) entry( - index = 2088, - label = "C2H4S-3 + C4H7-4 <=> C4H8-4 + C2H3S-3", + index = 2079, + label = "C2H4S-6 + C4H7-10 <=> C4H8-10 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000959,'cm^3/(mol*s)'), n=4.34, Ea=(95.8973,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30026,8 +29893,8 @@ ) entry( - index = 2089, - label = "C4H3 + C3H6S <=> C4H4 + C3H5S", + index = 2080, + label = "C4H3-2 + C3H6S <=> C4H4-2 + C3H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001096,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30039,8 +29906,8 @@ ) entry( - index = 2090, - label = "C2H4S-3 + C5H9-5 <=> C5H10-3 + C2H3S-3", + index = 2081, + label = "C2H4S-6 + C5H9-6 <=> C5H10-6 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000124,'cm^3/(mol*s)'), n=4.34, Ea=(91.3786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30052,8 +29919,8 @@ ) entry( - index = 2091, - label = "C2H4S-3 + C5H7-2 <=> C5H8-2 + C2H3S-3", + index = 2082, + label = "C2H4S-6 + C5H7-2 <=> C5H8-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000864,'cm^3/(mol*s)'), n=4.34, Ea=(134.097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30065,8 +29932,8 @@ ) entry( - index = 2092, - label = "C2H4S-3 + C6H9 <=> C6H10 + C2H3S-3", + index = 2083, + label = "C2H4S-6 + C6H9 <=> C6H10 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(3.23e-05,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30078,8 +29945,8 @@ ) entry( - index = 2093, - label = "C3H3-2 + C2H4S-3 <=> C3H4 + C2H3S-3", + index = 2084, + label = "C3H3-3 + C2H4S-6 <=> C3H4-3 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0013,'cm^3/(mol*s)'), n=4.34, Ea=(102.759,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30091,8 +29958,8 @@ ) entry( - index = 2094, - label = "C4H5-5 + C2H4S-3 <=> C4H6 + C2H3S-3", + index = 2085, + label = "C4H5-6 + C2H4S-6 <=> C4H6-6 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000357,'cm^3/(mol*s)'), n=4.34, Ea=(89.9142,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30104,8 +29971,8 @@ ) entry( - index = 2095, - label = "C5H7-3 + C2H4S-3 <=> C5H8 + C2H3S-3", + index = 2086, + label = "C5H7-3 + C2H4S-6 <=> C5H8-3 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000112,'cm^3/(mol*s)'), n=4.34, Ea=(87.7803,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30117,8 +29984,8 @@ ) entry( - index = 2096, - label = "C5H3 + C2H4S-3 <=> C5H4 + C2H3S-3", + index = 2087, + label = "C5H3 + C2H4S-6 <=> C5H4 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000495,'cm^3/(mol*s)'), n=4.34, Ea=(61.5048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30130,8 +29997,8 @@ ) entry( - index = 2097, - label = "C6H5-2 + C2H4S-3 <=> C6H6-2 + C2H3S-3", + index = 2088, + label = "C6H5-3 + C2H4S-6 <=> C6H6-3 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(1.66e-05,'cm^3/(mol*s)'), n=4.34, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30143,8 +30010,8 @@ ) entry( - index = 2098, - label = "C2H4S-3 + C7H7 <=> C7H8 + C2H3S-3", + index = 2089, + label = "C2H4S-6 + C7H7-5 <=> C7H8-5 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00172,'cm^3/(mol*s)'), n=4.34, Ea=(96.9516,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30156,8 +30023,8 @@ ) entry( - index = 2099, - label = "C2H4S-3 + C8H9 <=> C8H10 + C2H3S-3", + index = 2090, + label = "C2H4S-6 + C8H9-2 <=> C8H10-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000605,'cm^3/(mol*s)'), n=4.34, Ea=(86.0063,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30169,8 +30036,8 @@ ) entry( - index = 2100, - label = "C2H4S-3 + C9H11 <=> C9H12 + C2H3S-3", + index = 2091, + label = "C2H4S-6 + C9H11-2 <=> C9H12-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(2.47e-05,'cm^3/(mol*s)'), n=4.34, Ea=(87.613,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30182,8 +30049,8 @@ ) entry( - index = 2101, - label = "C2H4S-3 + C2H3 <=> C2H4 + C2H3S-3", + index = 2092, + label = "C2H4S-6 + C2H3 <=> C2H4 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00478,'cm^3/(mol*s)'), n=4.34, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30195,8 +30062,8 @@ ) entry( - index = 2102, - label = "C2H4S-3 + C3H5-2 <=> C3H6-2 + C2H3S-3", + index = 2093, + label = "C2H4S-6 + C3H5-2 <=> C3H6-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00225,'cm^3/(mol*s)'), n=4.34, Ea=(5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30208,8 +30075,8 @@ ) entry( - index = 2103, - label = "C2H4S-3 + C4H5-3 <=> C4H6-4 + C2H3S-3", + index = 2094, + label = "C2H4S-6 + C4H5-7 <=> C4H6-7 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00221,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30221,8 +30088,8 @@ ) entry( - index = 2104, - label = "C2H4S-3 + C6H5 <=> C6H6 + C2H3S-3", + index = 2095, + label = "C2H4S-6 + C6H5-2 <=> C6H6-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00609,'cm^3/(mol*s)'), n=4.34, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30234,8 +30101,8 @@ ) entry( - index = 2105, - label = "C3H3 + C2H4S-3 <=> C3H4-1 + C2H3S-3", + index = 2096, + label = "C3H3-4 + C2H4S-6 <=> C3H4-4 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0021,'cm^3/(mol*s)'), n=4.34, Ea=(76.7346,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30247,8 +30114,8 @@ ) entry( - index = 2106, - label = "C2H4S-3 + CH3S-2 <=> CH3SH_r2 + C2H3S-3", + index = 2097, + label = "C2H4S-6 + CH3S-4 <=> CH4S-4 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000423,'cm^3/(mol*s)'), n=4.34, Ea=(78.1153,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30260,8 +30127,8 @@ ) entry( - index = 2107, - label = "C2H4S-3 + C2H5S <=> C2H6S + C2H3S-3", + index = 2098, + label = "C2H4S-6 + C2H5S <=> C2H6S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000989,'cm^3/(mol*s)'), n=4.34, Ea=(66.2327,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30273,8 +30140,8 @@ ) entry( - index = 2108, - label = "C3H7S + C2H4S-3 <=> C3H8S + C2H3S-3", + index = 2099, + label = "C3H7S + C2H4S-6 <=> C3H8S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000478,'cm^3/(mol*s)'), n=4.34, Ea=(56.1493,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30286,8 +30153,8 @@ ) entry( - index = 2109, - label = "C2H4S-3 + C2H3S-2 <=> C2H4S-2 + C2H3S-3", + index = 2100, + label = "C2H4S-6 + C2H3S-2 <=> C2H4S-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00378,'cm^3/(mol*s)'), n=4.34, Ea=(62.76,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30299,8 +30166,8 @@ ) entry( - index = 2110, - label = "C2H4S-3 + C3H5S <=> C3H6S + C2H3S-3", + index = 2101, + label = "C2H4S-6 + C3H5S-3 <=> C3H6S-3 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0049,'cm^3/(mol*s)'), n=4.34, Ea=(68.1992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30312,8 +30179,8 @@ ) entry( - index = 2111, - label = "C2H4S-3 + C4H7S <=> C4H8S + C2H3S-3", + index = 2102, + label = "C2H4S-6 + C4H7S <=> C4H8S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00188,'cm^3/(mol*s)'), n=4.34, Ea=(71.5464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30325,8 +30192,8 @@ ) entry( - index = 2112, - label = "C2H4S-3 + C3H3S <=> C3H4S + C2H3S-3", + index = 2103, + label = "C2H4S-6 + C3H3S <=> C3H4S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0191,'cm^3/(mol*s)'), n=4.34, Ea=(72.8016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30338,8 +30205,8 @@ ) entry( - index = 2113, - label = "C3H5S-2 + C2H4S-3 <=> C3H6S-2 + C2H3S-3", + index = 2104, + label = "C3H5S-4 + C2H4S-6 <=> C3H6S-4 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00106,'cm^3/(mol*s)'), n=4.34, Ea=(112.591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30351,8 +30218,8 @@ ) entry( - index = 2114, - label = "C4H7S-2 + C2H4S-3 <=> C4H8S-2 + C2H3S-3", + index = 2105, + label = "C4H7S-2 + C2H4S-6 <=> C4H8S-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000113,'cm^3/(mol*s)'), n=4.34, Ea=(108.115,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30364,8 +30231,8 @@ ) entry( - index = 2115, - label = "C2H4S-3 + C2H3S2 <=> C2H4S2 + C2H3S-3", + index = 2106, + label = "C2H4S-6 + C2H3S2 <=> C2H4S2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.014,'cm^3/(mol*s)'), n=4.34, Ea=(160.582,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30377,8 +30244,8 @@ ) entry( - index = 2116, - label = "C2H4S-3 + C3H5S2 <=> C3H6S2 + C2H3S-3", + index = 2107, + label = "C2H4S-6 + C3H5S2 <=> C3H6S2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0031,'cm^3/(mol*s)'), n=4.34, Ea=(159.327,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30390,8 +30257,8 @@ ) entry( - index = 2117, - label = "C3H3S-2 + C2H4S-3 <=> C3H4S-2 + C2H3S-3", + index = 2108, + label = "C3H3S-2 + C2H4S-6 <=> C3H4S-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000736,'cm^3/(mol*s)'), n=4.34, Ea=(96.1065,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30403,8 +30270,8 @@ ) entry( - index = 2118, - label = "C4H5S + C2H4S-3 <=> C4H6S + C2H3S-3", + index = 2109, + label = "C4H5S + C2H4S-6 <=> C4H6S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000241,'cm^3/(mol*s)'), n=4.34, Ea=(91.5041,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30416,8 +30283,8 @@ ) entry( - index = 2119, - label = "C2H4S-3 + C7H7S <=> C7H8S + C2H3S-3", + index = 2110, + label = "C2H4S-6 + C7H7S <=> C7H8S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000253,'cm^3/(mol*s)'), n=4.34, Ea=(100.081,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30429,8 +30296,8 @@ ) entry( - index = 2120, - label = "C8H9S + C2H4S-3 <=> C8H10S + C2H3S-3", + index = 2111, + label = "C8H9S + C2H4S-6 <=> C8H10S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(7.61e-05,'cm^3/(mol*s)'), n=4.34, Ea=(89.2029,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30442,8 +30309,8 @@ ) entry( - index = 2121, - label = "CHS + C2H4S-3 <=> CH2S + C2H3S-3", + index = 2112, + label = "CHS + C2H4S-6 <=> CH2S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0165,'cm^3/(mol*s)'), n=4.34, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30455,8 +30322,8 @@ ) entry( - index = 2122, - label = "C2H4S-3 + C2H3S <=> C2H4S + C2H3S-3", + index = 2113, + label = "C2H4S-6 + C2H3S-4 <=> C2H4S-4 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00876,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30468,8 +30335,8 @@ ) entry( - index = 2123, - label = "CHS2 + C2H4S-3 <=> CH2S2 + C2H3S-3", + index = 2114, + label = "CHS2 + C2H4S-6 <=> CH2S2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00468,'cm^3/(mol*s)'), n=4.34, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30481,8 +30348,8 @@ ) entry( - index = 2124, - label = "C2H4S-3 + C3H3S-3 <=> C3H4S-3 + C2H3S-3", + index = 2115, + label = "C2H4S-6 + C3H3S-3 <=> C3H4S-3 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00691,'cm^3/(mol*s)'), n=4.34, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30494,8 +30361,8 @@ ) entry( - index = 2125, - label = "C3HS + C2H4S-3 <=> C3H2S + C2H3S-3", + index = 2116, + label = "C3HS + C2H4S-6 <=> C3H2S + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0193,'cm^3/(mol*s)'), n=4.34, Ea=(82.8432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30507,8 +30374,8 @@ ) entry( - index = 2126, - label = "H + C3H4S <=> H2 + C3H3S", + index = 2117, + label = "H + C3H4S-4 <=> H2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.5,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30520,8 +30387,8 @@ ) entry( - index = 2127, - label = "CH3_r3 + C3H4S <=> CH4b + C3H3S", + index = 2118, + label = "CH3-2 + C3H4S-4 <=> CH4-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0118,'cm^3/(mol*s)'), n=4.34, Ea=(88.3661,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30533,8 +30400,8 @@ ) entry( - index = 2128, - label = "C3H4S + C2H5 <=> C2H6 + C3H3S", + index = 2119, + label = "C3H4S-4 + C2H5-2 <=> C2H6-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00203,'cm^3/(mol*s)'), n=4.34, Ea=(71.6719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30546,8 +30413,8 @@ ) entry( - index = 2129, - label = "C3H4S + C3H7 <=> C3H8 + C3H3S", + index = 2120, + label = "C3H4S-4 + C3H7-2 <=> C3H8-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00287,'cm^3/(mol*s)'), n=4.34, Ea=(60.7098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30559,8 +30426,8 @@ ) entry( - index = 2130, - label = "C3H4S + C4H9-4 <=> iC4H10b + C3H3S", + index = 2121, + label = "C3H4S-4 + C4H9-5 <=> C4H10-5 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00351,'cm^3/(mol*s)'), n=4.34, Ea=(56.1911,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30572,8 +30439,8 @@ ) entry( - index = 2131, - label = "C3H4S + C3H5 <=> C3H6 + C3H3S", + index = 2122, + label = "C3H4S-4 + C3H5-3 <=> C3H6-3 + C3H3S-4", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0642,'cm^3/(mol*s)'), n=4.34, Ea=(125.646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30585,8 +30452,8 @@ ) entry( - index = 2132, - label = "C3H4S + C4H7-4 <=> C4H8-4 + C3H3S", + index = 2123, + label = "C3H4S-4 + C4H7-10 <=> C4H8-10 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0242,'cm^3/(mol*s)'), n=4.34, Ea=(113.763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30598,8 +30465,8 @@ ) entry( - index = 2133, - label = "C3H4S + C5H9-5 <=> C5H10-3 + C3H3S", + index = 2124, + label = "C3H4S-4 + C5H9-6 <=> C5H10-6 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0046,'cm^3/(mol*s)'), n=4.34, Ea=(109.244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30611,8 +30478,8 @@ ) entry( - index = 2134, - label = "C4H3 + C4H8S <=> C4H4 + C4H7S", + index = 2125, + label = "C4H3-2 + C4H8S-3 <=> C4H4-2 + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000362,'cm^3/(mol*s)'), n=4.34, Ea=(3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30624,8 +30491,8 @@ ) entry( - index = 2135, - label = "C5H7-2 + C3H4S <=> C5H8-2 + C3H3S", + index = 2126, + label = "C5H7-2 + C3H4S-4 <=> C5H8-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0966,'cm^3/(mol*s)'), n=4.34, Ea=(151.963,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30637,8 +30504,8 @@ ) entry( - index = 2136, - label = "C6H9 + C3H4S <=> C6H10 + C3H3S", + index = 2127, + label = "C6H9 + C3H4S-4 <=> C6H10 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00528,'cm^3/(mol*s)'), n=4.34, Ea=(136.398,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30650,8 +30517,8 @@ ) entry( - index = 2137, - label = "C3H3-2 + C3H4S <=> C3H4 + C3H3S", + index = 2128, + label = "C3H3-3 + C3H4S-4 <=> C3H4-3 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0164,'cm^3/(mol*s)'), n=4.34, Ea=(120.625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30663,8 +30530,8 @@ ) entry( - index = 2138, - label = "C4H5-5 + C3H4S <=> C4H6 + C3H3S", + index = 2129, + label = "C4H5-6 + C3H4S-4 <=> C4H6-6 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00657,'cm^3/(mol*s)'), n=4.34, Ea=(107.78,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30676,8 +30543,8 @@ ) entry( - index = 2139, - label = "C5H7-3 + C3H4S <=> C5H8 + C3H3S", + index = 2130, + label = "C5H7-3 + C3H4S-4 <=> C5H8-3 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00301,'cm^3/(mol*s)'), n=4.34, Ea=(105.646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30689,8 +30556,8 @@ ) entry( - index = 2140, - label = "C5H3 + C3H4S <=> C5H4 + C3H3S", + index = 2131, + label = "C5H3 + C3H4S-4 <=> C5H4 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0293,'cm^3/(mol*s)'), n=4.34, Ea=(110.458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30702,8 +30569,8 @@ ) entry( - index = 2141, - label = "C6H5-2 + C3H4S <=> C6H6-2 + C3H3S", + index = 2132, + label = "C6H5-3 + C3H4S-4 <=> C6H6-3 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00144,'cm^3/(mol*s)'), n=4.34, Ea=(115.06,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30715,8 +30582,8 @@ ) entry( - index = 2142, - label = "C3H4S + C7H7 <=> C7H8 + C3H3S", + index = 2133, + label = "C3H4S-4 + C7H7-5 <=> C7H8-5 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0297,'cm^3/(mol*s)'), n=4.34, Ea=(114.817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30728,8 +30595,8 @@ ) entry( - index = 2143, - label = "C3H4S + C8H9 <=> C8H10 + C3H3S", + index = 2134, + label = "C3H4S-4 + C8H9-2 <=> C8H10-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0153,'cm^3/(mol*s)'), n=4.34, Ea=(103.872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30741,8 +30608,8 @@ ) entry( - index = 2144, - label = "C3H4S + C9H11 <=> C9H12 + C3H3S", + index = 2135, + label = "C3H4S-4 + C9H11-2 <=> C9H12-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000915,'cm^3/(mol*s)'), n=4.34, Ea=(105.479,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30754,8 +30621,8 @@ ) entry( - index = 2145, - label = "C2H3 + C3H4S <=> C2H4 + C3H3S", + index = 2136, + label = "C2H3 + C3H4S-4 <=> C2H4 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0128,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30767,8 +30634,8 @@ ) entry( - index = 2146, - label = "C3H5-2 + C3H4S <=> C3H6-2 + C3H3S", + index = 2137, + label = "C3H5-2 + C3H4S-4 <=> C3H6-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0088,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30780,8 +30647,8 @@ ) entry( - index = 2147, - label = "C4H5-3 + C3H4S <=> C4H6-4 + C3H3S", + index = 2138, + label = "C4H5-7 + C3H4S-4 <=> C4H6-7 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00589,'cm^3/(mol*s)'), n=4.34, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30793,8 +30660,8 @@ ) entry( - index = 2148, - label = "C3H4S + C6H5 <=> C6H6 + C3H3S", + index = 2139, + label = "C3H4S-4 + C6H5-2 <=> C6H6-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0162,'cm^3/(mol*s)'), n=4.34, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30806,8 +30673,8 @@ ) entry( - index = 2149, - label = "C3H3 + C3H4S <=> C3H4-1 + C3H3S", + index = 2140, + label = "C3H3-4 + C3H4S-4 <=> C3H4-4 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0363,'cm^3/(mol*s)'), n=4.34, Ea=(94.6002,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30819,8 +30686,8 @@ ) entry( - index = 2150, - label = "CH3S-2 + C3H4S <=> CH3SH_r2 + C3H3S", + index = 2141, + label = "CH3S-4 + C3H4S-4 <=> CH4S-4 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00473,'cm^3/(mol*s)'), n=4.34, Ea=(95.981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30832,8 +30699,8 @@ ) entry( - index = 2151, - label = "C2H5S + C3H4S <=> C2H6S + C3H3S", + index = 2142, + label = "C2H5S + C3H4S-4 <=> C2H6S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0162,'cm^3/(mol*s)'), n=4.34, Ea=(84.0984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30845,8 +30712,8 @@ ) entry( - index = 2152, - label = "C3H7S + C3H4S <=> C3H8S + C3H3S", + index = 2143, + label = "C3H7S + C3H4S-4 <=> C3H8S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0114,'cm^3/(mol*s)'), n=4.34, Ea=(74.015,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30858,8 +30725,8 @@ ) entry( - index = 2153, - label = "C3H4S + C2H3S-2 <=> C2H4S-2 + C3H3S", + index = 2144, + label = "C3H4S-4 + C2H3S-2 <=> C2H4S-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0387,'cm^3/(mol*s)'), n=4.34, Ea=(107.11,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30871,8 +30738,8 @@ ) entry( - index = 2154, - label = "C3H4S + C3H5S <=> C3H6S + C3H3S", + index = 2145, + label = "C3H4S-4 + C3H5S-3 <=> C3H6S-3 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0734,'cm^3/(mol*s)'), n=4.34, Ea=(119.244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30884,8 +30751,8 @@ ) entry( - index = 2155, - label = "C3H4S + C4H7S <=> C4H8S + C3H3S", + index = 2146, + label = "C3H4S-4 + C4H7S <=> C4H8S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0413,'cm^3/(mol*s)'), n=4.34, Ea=(129.286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30897,8 +30764,8 @@ ) entry( - index = 2156, - label = "C2H3S-3 + C3H4S <=> C2H4S-3 + C3H3S", + index = 2147, + label = "C2H3S-3 + C3H4S-4 <=> C2H4S-3 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0304,'cm^3/(mol*s)'), n=4.34, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30910,8 +30777,8 @@ ) entry( - index = 2157, - label = "C3H5S-2 + C3H4S <=> C3H6S-2 + C3H3S", + index = 2148, + label = "C3H5S-4 + C3H4S-4 <=> C3H6S-4 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0765,'cm^3/(mol*s)'), n=4.34, Ea=(130.457,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30923,8 +30790,8 @@ ) entry( - index = 2158, - label = "C4H7S-2 + C3H4S <=> C4H8S-2 + C3H3S", + index = 2149, + label = "C4H7S-2 + C3H4S-4 <=> C4H8S-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.012,'cm^3/(mol*s)'), n=4.34, Ea=(125.98,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30936,8 +30803,8 @@ ) entry( - index = 2159, - label = "C2H3S2 + C3H4S <=> C2H4S2 + C3H3S", + index = 2150, + label = "C2H3S2 + C3H4S-4 <=> C2H4S2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.602,'cm^3/(mol*s)'), n=4.34, Ea=(178.448,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30949,8 +30816,8 @@ ) entry( - index = 2160, - label = "C3H5S2 + C3H4S <=> C3H6S2 + C3H3S", + index = 2151, + label = "C3H5S2 + C3H4S-4 <=> C3H6S2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.195,'cm^3/(mol*s)'), n=4.34, Ea=(177.192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30962,8 +30829,8 @@ ) entry( - index = 2161, - label = "C3H3S-2 + C3H4S <=> C3H4S-2 + C3H3S", + index = 2152, + label = "C3H3S-2 + C3H4S-4 <=> C3H4S-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0388,'cm^3/(mol*s)'), n=4.34, Ea=(113.972,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30975,8 +30842,8 @@ ) entry( - index = 2162, - label = "C4H5S + C3H4S <=> C4H6S + C3H3S", + index = 2153, + label = "C4H5S + C3H4S-4 <=> C4H6S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0186,'cm^3/(mol*s)'), n=4.34, Ea=(109.37,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -30988,8 +30855,8 @@ ) entry( - index = 2163, - label = "C7H7S + C3H4S <=> C7H8S + C3H3S", + index = 2154, + label = "C7H7S + C3H4S-4 <=> C7H8S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0183,'cm^3/(mol*s)'), n=4.34, Ea=(117.947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31001,8 +30868,8 @@ ) entry( - index = 2164, - label = "C8H9S + C3H4S <=> C8H10S + C3H3S", + index = 2155, + label = "C8H9S + C3H4S-4 <=> C8H10S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00807,'cm^3/(mol*s)'), n=4.34, Ea=(107.069,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31014,8 +30881,8 @@ ) entry( - index = 2165, - label = "CHS + C3H4S <=> CH2S + C3H3S", + index = 2156, + label = "CHS + C3H4S-4 <=> CH2S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.044,'cm^3/(mol*s)'), n=4.34, Ea=(68.1992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31027,8 +30894,8 @@ ) entry( - index = 2166, - label = "C3H4S + C2H3S <=> C2H4S + C3H3S", + index = 2157, + label = "C3H4S-4 + C2H3S-4 <=> C2H4S-4 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0342,'cm^3/(mol*s)'), n=4.34, Ea=(66.944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31040,8 +30907,8 @@ ) entry( - index = 2167, - label = "CHS2 + C3H4S <=> CH2S2 + C3H3S", + index = 2158, + label = "CHS2 + C3H4S-4 <=> CH2S2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0524,'cm^3/(mol*s)'), n=4.34, Ea=(77.8224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31053,8 +30920,8 @@ ) entry( - index = 2168, - label = "C3H4S + C3H3S-3 <=> C3H4S-3 + C3H3S", + index = 2159, + label = "C3H4S-4 + C3H3S-3 <=> C3H4S-3 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0184,'cm^3/(mol*s)'), n=4.34, Ea=(79.0776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31066,8 +30933,8 @@ ) entry( - index = 2169, - label = "C3HS + C3H4S <=> C3H2S + C3H3S", + index = 2160, + label = "C3HS + C3H4S-4 <=> C3H2S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0515,'cm^3/(mol*s)'), n=4.34, Ea=(94.14,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31079,7 +30946,7 @@ ) entry( - index = 2170, + index = 2161, label = "H + C3H6S-2 <=> H2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.41,'cm^3/(mol*s)'), n=4.34, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31092,8 +30959,8 @@ ) entry( - index = 2171, - label = "C3H6S-2 + CH3_r3 <=> CH4b + C3H5S-2", + index = 2162, + label = "C3H6S-2 + CH3-2 <=> CH4-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0097,'cm^3/(mol*s)'), n=4.34, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31105,8 +30972,8 @@ ) entry( - index = 2172, - label = "C3H6S-2 + C2H5 <=> C2H6 + C3H5S-2", + index = 2163, + label = "C3H6S-2 + C2H5-2 <=> C2H6-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001318,'cm^3/(mol*s)'), n=4.34, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31118,8 +30985,8 @@ ) entry( - index = 2173, - label = "C3H6S-2 + C3H7 <=> C3H8 + C3H5S-2", + index = 2164, + label = "C3H6S-2 + C3H7-2 <=> C3H8-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00147,'cm^3/(mol*s)'), n=4.34, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31131,8 +30998,8 @@ ) entry( - index = 2174, - label = "C3H6S-2 + C4H9-4 <=> iC4H10b + C3H5S-2", + index = 2165, + label = "C3H6S-2 + C4H9-5 <=> C4H10-5 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001424,'cm^3/(mol*s)'), n=4.34, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31144,8 +31011,8 @@ ) entry( - index = 2175, - label = "C3H6S-2 + C3H5 <=> C3H6 + C3H5S-2", + index = 2166, + label = "C3H6S-2 + C3H5-3 <=> C3H6-3 + C3H5S-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0108,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31157,8 +31024,8 @@ ) entry( - index = 2176, - label = "C3H6S-2 + C4H7-4 <=> C4H8-4 + C3H5S-2", + index = 2167, + label = "C3H6S-2 + C4H7-10 <=> C4H8-10 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00322,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31170,8 +31037,8 @@ ) entry( - index = 2177, - label = "C3H6S-2 + C5H9-5 <=> C5H10-3 + C3H5S-2", + index = 2168, + label = "C3H6S-2 + C5H9-6 <=> C5H10-6 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000484,'cm^3/(mol*s)'), n=4.34, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31183,7 +31050,7 @@ ) entry( - index = 2178, + index = 2169, label = "C3H6S-2 + C5H7-2 <=> C5H8-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00334,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31196,8 +31063,8 @@ ) entry( - index = 2179, - label = "C4H3 + C2H4S-3 <=> C4H4 + C2H3S-3", + index = 2170, + label = "C4H3-2 + C2H4S-6 <=> C4H4-2 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000518,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31209,7 +31076,7 @@ ) entry( - index = 2180, + index = 2171, label = "C3H6S-2 + C6H9 <=> C6H10 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001442,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31222,8 +31089,8 @@ ) entry( - index = 2181, - label = "C3H3-2 + C3H6S-2 <=> C3H4 + C3H5S-2", + index = 2172, + label = "C3H3-3 + C3H6S-2 <=> C3H4-3 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00276,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31235,8 +31102,8 @@ ) entry( - index = 2182, - label = "C4H5-5 + C3H6S-2 <=> C4H6 + C3H5S-2", + index = 2173, + label = "C4H5-6 + C3H6S-2 <=> C4H6-6 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000874,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31248,8 +31115,8 @@ ) entry( - index = 2183, - label = "C5H7-3 + C3H6S-2 <=> C5H8 + C3H5S-2", + index = 2174, + label = "C5H7-3 + C3H6S-2 <=> C5H8-3 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000318,'cm^3/(mol*s)'), n=4.34, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31261,7 +31128,7 @@ ) entry( - index = 2184, + index = 2175, label = "C5H3 + C3H6S-2 <=> C5H4 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001012,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31274,8 +31141,8 @@ ) entry( - index = 2185, - label = "C6H5-2 + C3H6S-2 <=> C6H6-2 + C3H5S-2", + index = 2176, + label = "C6H5-3 + C3H6S-2 <=> C6H6-3 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.94e-05,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31287,8 +31154,8 @@ ) entry( - index = 2186, - label = "C3H6S-2 + C7H7 <=> C7H8 + C3H5S-2", + index = 2177, + label = "C3H6S-2 + C7H7-5 <=> C7H8-5 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.005,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31300,8 +31167,8 @@ ) entry( - index = 2187, - label = "C3H6S-2 + C8H9 <=> C8H10 + C3H5S-2", + index = 2178, + label = "C3H6S-2 + C8H9-2 <=> C8H10-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00204,'cm^3/(mol*s)'), n=4.34, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31313,8 +31180,8 @@ ) entry( - index = 2188, - label = "C3H6S-2 + C9H11 <=> C9H12 + C3H5S-2", + index = 2179, + label = "C3H6S-2 + C9H11-2 <=> C9H12-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(9.62e-05,'cm^3/(mol*s)'), n=4.34, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31326,7 +31193,7 @@ ) entry( - index = 2189, + index = 2180, label = "C2H3 + C3H6S-2 <=> C2H4 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01046,'cm^3/(mol*s)'), n=4.34, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31339,7 +31206,7 @@ ) entry( - index = 2190, + index = 2181, label = "C3H6S-2 + C3H5-2 <=> C3H6-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0057,'cm^3/(mol*s)'), n=4.34, Ea=(-9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31352,8 +31219,8 @@ ) entry( - index = 2191, - label = "C3H6S-2 + C4H5-3 <=> C4H6-4 + C3H5S-2", + index = 2182, + label = "C3H6S-2 + C4H5-7 <=> C4H6-7 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00482,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31365,8 +31232,8 @@ ) entry( - index = 2192, - label = "C3H6S-2 + C6H5 <=> C6H6 + C3H5S-2", + index = 2183, + label = "C3H6S-2 + C6H5-2 <=> C6H6-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01332,'cm^3/(mol*s)'), n=4.34, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31378,8 +31245,8 @@ ) entry( - index = 2193, - label = "C3H3 + C3H6S-2 <=> C3H4-1 + C3H5S-2", + index = 2184, + label = "C3H3-4 + C3H6S-2 <=> C3H4-4 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0061,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31391,8 +31258,8 @@ ) entry( - index = 2194, - label = "CH3S-2 + C3H6S-2 <=> CH3SH_r2 + C3H5S-2", + index = 2185, + label = "CH3S-4 + C3H6S-2 <=> CH4S-4 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000808,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31404,7 +31271,7 @@ ) entry( - index = 2195, + index = 2186, label = "C2H5S + C3H6S-2 <=> C2H6S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00218,'cm^3/(mol*s)'), n=4.34, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31417,7 +31284,7 @@ ) entry( - index = 2196, + index = 2187, label = "C3H7S + C3H6S-2 <=> C3H8S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00122,'cm^3/(mol*s)'), n=4.34, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31430,7 +31297,7 @@ ) entry( - index = 2197, + index = 2188, label = "C3H6S-2 + C2H3S-2 <=> C2H4S-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001168,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31443,8 +31310,8 @@ ) entry( - index = 2198, - label = "C3H6S-2 + C3H5S <=> C3H6S + C3H5S-2", + index = 2189, + label = "C3H6S-2 + C3H5S-3 <=> C3H6S-3 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001752,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31456,7 +31323,7 @@ ) entry( - index = 2199, + index = 2190, label = "C3H6S-2 + C4H7S <=> C4H8S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000778,'cm^3/(mol*s)'), n=4.34, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31469,7 +31336,7 @@ ) entry( - index = 2200, + index = 2191, label = "C2H3S-3 + C3H6S-2 <=> C2H4S-3 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000918,'cm^3/(mol*s)'), n=4.34, Ea=(-40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31482,7 +31349,7 @@ ) entry( - index = 2201, + index = 2192, label = "C3H6S-2 + C3H3S <=> C3H4S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0418,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31495,7 +31362,7 @@ ) entry( - index = 2202, + index = 2193, label = "C4H7S-2 + C3H6S-2 <=> C4H8S-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000332,'cm^3/(mol*s)'), n=4.34, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31508,7 +31375,7 @@ ) entry( - index = 2203, + index = 2194, label = "C2H3S2 + C3H6S-2 <=> C2H4S2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00378,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31521,7 +31388,7 @@ ) entry( - index = 2204, + index = 2195, label = "C3H5S2 + C3H6S-2 <=> C3H6S2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000968,'cm^3/(mol*s)'), n=4.34, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31534,7 +31401,7 @@ ) entry( - index = 2205, + index = 2196, label = "C3H3S-2 + C3H6S-2 <=> C3H4S-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00136,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31547,7 +31414,7 @@ ) entry( - index = 2206, + index = 2197, label = "C4H5S + C3H6S-2 <=> C4H6S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000516,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31560,7 +31427,7 @@ ) entry( - index = 2207, + index = 2198, label = "C7H7S + C3H6S-2 <=> C7H8S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000642,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31573,7 +31440,7 @@ ) entry( - index = 2208, + index = 2199, label = "C8H9S + C3H6S-2 <=> C8H10S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000224,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31586,7 +31453,7 @@ ) entry( - index = 2209, + index = 2200, label = "CHS + C3H6S-2 <=> CH2S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.036,'cm^3/(mol*s)'), n=4.34, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31599,8 +31466,8 @@ ) entry( - index = 2210, - label = "C3H6S-2 + C2H3S <=> C2H4S + C3H5S-2", + index = 2201, + label = "C3H6S-2 + C2H3S-4 <=> C2H4S-4 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0222,'cm^3/(mol*s)'), n=4.34, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31612,7 +31479,7 @@ ) entry( - index = 2211, + index = 2202, label = "CHS2 + C3H6S-2 <=> CH2S2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00894,'cm^3/(mol*s)'), n=4.34, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31625,7 +31492,7 @@ ) entry( - index = 2212, + index = 2203, label = "C3H6S-2 + C3H3S-3 <=> C3H4S-3 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0151,'cm^3/(mol*s)'), n=4.34, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31638,7 +31505,7 @@ ) entry( - index = 2213, + index = 2204, label = "C3HS + C3H6S-2 <=> C3H2S + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0422,'cm^3/(mol*s)'), n=4.34, Ea=(68.6176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -31651,8 +31518,8 @@ ) entry( - index = 2214, - label = "H + C3H6S2 <=> H2 + C3H5S2", + index = 2205, + label = "H + C3H6S2-2 <=> H2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.137,'cm^3/(mol*s)'), n=4.34, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31664,8 +31531,8 @@ ) entry( - index = 2215, - label = "C3H6S2 + CH3_r3 <=> CH4b + C3H5S2", + index = 2206, + label = "C3H6S2-2 + CH3-2 <=> CH4-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00324,'cm^3/(mol*s)'), n=4.34, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31677,8 +31544,8 @@ ) entry( - index = 2216, - label = "C3H6S2 + C2H5 <=> C2H6 + C3H5S2", + index = 2207, + label = "C3H6S2-2 + C2H5-2 <=> C2H6-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00036,'cm^3/(mol*s)'), n=4.34, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31690,8 +31557,8 @@ ) entry( - index = 2217, - label = "C3H6S2 + C3H7 <=> C3H8 + C3H5S2", + index = 2208, + label = "C3H6S2-2 + C3H7-2 <=> C3H8-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000328,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31703,8 +31570,8 @@ ) entry( - index = 2218, - label = "C3H6S2 + C4H9-4 <=> iC4H10b + C3H5S2", + index = 2209, + label = "C3H6S2-2 + C4H9-5 <=> C4H10-5 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000259,'cm^3/(mol*s)'), n=4.34, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31716,8 +31583,8 @@ ) entry( - index = 2219, - label = "C3H6S2 + C3H5 <=> C3H6 + C3H5S2", + index = 2210, + label = "C3H6S2-2 + C3H5-3 <=> C3H6-3 + C3H5S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00296,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31729,8 +31596,8 @@ ) entry( - index = 2220, - label = "C3H6S2 + C4H7-4 <=> C4H8-4 + C3H5S2", + index = 2211, + label = "C3H6S2-2 + C4H7-10 <=> C4H8-10 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000721,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31742,8 +31609,8 @@ ) entry( - index = 2221, - label = "C3H6S2 + C5H9-5 <=> C5H10-3 + C3H5S2", + index = 2212, + label = "C3H6S2-2 + C5H9-6 <=> C5H10-6 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(8.84e-05,'cm^3/(mol*s)'), n=4.34, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31755,8 +31622,8 @@ ) entry( - index = 2222, - label = "C3H6S2 + C5H7-2 <=> C5H8-2 + C3H5S2", + index = 2213, + label = "C3H6S2-2 + C5H7-2 <=> C5H8-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00075,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31768,8 +31635,8 @@ ) entry( - index = 2223, - label = "C3H6S2 + C6H9 <=> C6H10 + C3H5S2", + index = 2214, + label = "C3H6S2-2 + C6H9 <=> C6H10 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.65e-05,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31781,8 +31648,8 @@ ) entry( - index = 2224, - label = "C4H3 + C3H4S <=> C4H4 + C3H3S", + index = 2215, + label = "C4H3-2 + C3H4S-4 <=> C4H4-2 + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00138,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31794,8 +31661,8 @@ ) entry( - index = 2225, - label = "C3H3-2 + C3H6S2 <=> C3H4 + C3H5S2", + index = 2216, + label = "C3H3-3 + C3H6S2-2 <=> C3H4-3 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000754,'cm^3/(mol*s)'), n=4.34, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31807,8 +31674,8 @@ ) entry( - index = 2226, - label = "C4H5-5 + C3H6S2 <=> C4H6 + C3H5S2", + index = 2217, + label = "C4H5-6 + C3H6S2-2 <=> C4H6-6 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000196,'cm^3/(mol*s)'), n=4.34, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31820,8 +31687,8 @@ ) entry( - index = 2227, - label = "C5H7-3 + C3H6S2 <=> C5H8 + C3H5S2", + index = 2218, + label = "C5H7-3 + C3H6S2-2 <=> C5H8-3 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(5.8e-05,'cm^3/(mol*s)'), n=4.34, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31833,8 +31700,8 @@ ) entry( - index = 2228, - label = "C5H3 + C3H6S2 <=> C5H4 + C3H5S2", + index = 2219, + label = "C5H3 + C3H6S2-2 <=> C5H4 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000228,'cm^3/(mol*s)'), n=4.34, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31846,8 +31713,8 @@ ) entry( - index = 2229, - label = "C6H5-2 + C3H6S2 <=> C6H6-2 + C3H5S2", + index = 2220, + label = "C6H5-3 + C3H6S2-2 <=> C6H6-3 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(7.23e-06,'cm^3/(mol*s)'), n=4.34, Ea=(10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31859,8 +31726,8 @@ ) entry( - index = 2230, - label = "C3H6S2 + C7H7 <=> C7H8 + C3H5S2", + index = 2221, + label = "C3H6S2-2 + C7H7-5 <=> C7H8-5 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00137,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31872,8 +31739,8 @@ ) entry( - index = 2231, - label = "C3H6S2 + C8H9 <=> C8H10 + C3H5S2", + index = 2222, + label = "C3H6S2-2 + C8H9-2 <=> C8H10-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000455,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31885,8 +31752,8 @@ ) entry( - index = 2232, - label = "C3H6S2 + C9H11 <=> C9H12 + C3H5S2", + index = 2223, + label = "C3H6S2-2 + C9H11-2 <=> C9H12-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.76e-05,'cm^3/(mol*s)'), n=4.34, Ea=(5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31898,8 +31765,8 @@ ) entry( - index = 2233, - label = "C2H3 + C3H6S2 <=> C2H4 + C3H5S2", + index = 2224, + label = "C2H3 + C3H6S2-2 <=> C2H4 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0035,'cm^3/(mol*s)'), n=4.34, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31911,8 +31778,8 @@ ) entry( - index = 2234, - label = "C3H6S2 + C3H5-2 <=> C3H6-2 + C3H5S2", + index = 2225, + label = "C3H6S2-2 + C3H5-2 <=> C3H6-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00156,'cm^3/(mol*s)'), n=4.34, Ea=(-15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31924,8 +31791,8 @@ ) entry( - index = 2235, - label = "C3H6S2 + C4H5-3 <=> C4H6-4 + C3H5S2", + index = 2226, + label = "C3H6S2-2 + C4H5-7 <=> C4H6-7 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00161,'cm^3/(mol*s)'), n=4.34, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31937,8 +31804,8 @@ ) entry( - index = 2236, - label = "C3H6S2 + C6H5 <=> C6H6 + C3H5S2", + index = 2227, + label = "C3H6S2-2 + C6H5-2 <=> C6H6-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00445,'cm^3/(mol*s)'), n=4.34, Ea=(-22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31950,8 +31817,8 @@ ) entry( - index = 2237, - label = "C3H3 + C3H6S2 <=> C3H4-1 + C3H5S2", + index = 2228, + label = "C3H3-4 + C3H6S2-2 <=> C3H4-4 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00167,'cm^3/(mol*s)'), n=4.34, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31963,8 +31830,8 @@ ) entry( - index = 2238, - label = "CH3S-2 + C3H6S2 <=> CH3SH_r2 + C3H5S2", + index = 2229, + label = "CH3S-4 + C3H6S2-2 <=> CH4S-4 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00026,'cm^3/(mol*s)'), n=4.34, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31976,8 +31843,8 @@ ) entry( - index = 2239, - label = "C2H5S + C3H6S2 <=> C2H6S + C3H5S2", + index = 2230, + label = "C2H5S + C3H6S2-2 <=> C2H6S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000574,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -31989,8 +31856,8 @@ ) entry( - index = 2240, - label = "C3H7S + C3H6S2 <=> C3H8S + C3H5S2", + index = 2231, + label = "C3H7S + C3H6S2-2 <=> C3H8S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000262,'cm^3/(mol*s)'), n=4.34, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32002,8 +31869,8 @@ ) entry( - index = 2241, - label = "C3H6S2 + C2H3S-2 <=> C2H4S-2 + C3H5S2", + index = 2232, + label = "C3H6S2-2 + C2H3S-2 <=> C2H4S-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000267,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32015,8 +31882,8 @@ ) entry( - index = 2242, - label = "C3H6S2 + C3H5S <=> C3H6S + C3H5S2", + index = 2233, + label = "C3H6S2-2 + C3H5S-3 <=> C3H6S-3 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000327,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32028,8 +31895,8 @@ ) entry( - index = 2243, - label = "C3H6S2 + C4H7S <=> C4H8S + C3H5S2", + index = 2234, + label = "C3H6S2-2 + C4H7S <=> C4H8S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000119,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32041,8 +31908,8 @@ ) entry( - index = 2244, - label = "C2H3S-3 + C3H6S2 <=> C2H4S-3 + C3H5S2", + index = 2235, + label = "C2H3S-3 + C3H6S2-2 <=> C2H4S-3 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00021,'cm^3/(mol*s)'), n=4.34, Ea=(-52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32054,8 +31921,8 @@ ) entry( - index = 2245, - label = "C3H6S2 + C3H3S <=> C3H4S + C3H5S2", + index = 2236, + label = "C3H6S2-2 + C3H3S <=> C3H4S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.014,'cm^3/(mol*s)'), n=4.34, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32067,8 +31934,8 @@ ) entry( - index = 2246, - label = "C3H5S-2 + C3H6S2 <=> C3H6S-2 + C3H5S2", + index = 2237, + label = "C3H5S-4 + C3H6S2-2 <=> C3H6S-4 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000708,'cm^3/(mol*s)'), n=4.34, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32080,8 +31947,8 @@ ) entry( - index = 2247, - label = "C4H7S-2 + C3H6S2 <=> C4H8S-2 + C3H5S2", + index = 2238, + label = "C4H7S-2 + C3H6S2-2 <=> C4H8S-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(7.16e-05,'cm^3/(mol*s)'), n=4.34, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32093,8 +31960,8 @@ ) entry( - index = 2248, - label = "C2H3S2 + C3H6S2 <=> C2H4S2 + C3H5S2", + index = 2239, + label = "C2H3S2 + C3H6S2-2 <=> C2H4S2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000832,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32106,8 +31973,8 @@ ) entry( - index = 2249, - label = "C3H3S-2 + C3H6S2 <=> C3H4S-2 + C3H5S2", + index = 2240, + label = "C3H3S-2 + C3H6S2-2 <=> C3H4S-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000359,'cm^3/(mol*s)'), n=4.34, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32119,8 +31986,8 @@ ) entry( - index = 2250, - label = "C4H5S + C3H6S2 <=> C4H6S + C3H5S2", + index = 2241, + label = "C4H5S + C3H6S2-2 <=> C4H6S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000111,'cm^3/(mol*s)'), n=4.34, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32132,8 +31999,8 @@ ) entry( - index = 2251, - label = "C7H7S + C3H6S2 <=> C7H8S + C3H5S2", + index = 2242, + label = "C7H7S + C3H6S2-2 <=> C7H8S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00017,'cm^3/(mol*s)'), n=4.34, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32145,8 +32012,8 @@ ) entry( - index = 2252, - label = "C8H9S + C3H6S2 <=> C8H10S + C3H5S2", + index = 2243, + label = "C8H9S + C3H6S2-2 <=> C8H10S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.82e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32158,8 +32025,8 @@ ) entry( - index = 2253, - label = "CHS + C3H6S2 <=> CH2S + C3H5S2", + index = 2244, + label = "CHS + C3H6S2-2 <=> CH2S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.012,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32171,8 +32038,8 @@ ) entry( - index = 2254, - label = "C3H6S2 + C2H3S <=> C2H4S + C3H5S2", + index = 2245, + label = "C3H6S2-2 + C2H3S-4 <=> C2H4S-4 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00605,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32184,8 +32051,8 @@ ) entry( - index = 2255, - label = "CHS2 + C3H6S2 <=> CH2S2 + C3H5S2", + index = 2246, + label = "CHS2 + C3H6S2-2 <=> CH2S2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00288,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32197,8 +32064,8 @@ ) entry( - index = 2256, - label = "C3H6S2 + C3H3S-3 <=> C3H4S-3 + C3H5S2", + index = 2247, + label = "C3H6S2-2 + C3H3S-3 <=> C3H4S-3 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00505,'cm^3/(mol*s)'), n=4.34, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32210,8 +32077,8 @@ ) entry( - index = 2257, - label = "C3HS + C3H6S2 <=> C3H2S + C3H5S2", + index = 2248, + label = "C3HS + C3H6S2-2 <=> C3H2S + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0141,'cm^3/(mol*s)'), n=4.34, Ea=(63.1784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32223,8 +32090,8 @@ ) entry( - index = 2258, - label = "H + C2H4S2 <=> H2 + C2H3S2", + index = 2249, + label = "H + C2H4S2-2 <=> H2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.618,'cm^3/(mol*s)'), n=4.34, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32236,8 +32103,8 @@ ) entry( - index = 2259, - label = "C2H4S2 + CH3_r3 <=> CH4b + C2H3S2", + index = 2250, + label = "C2H4S2-2 + CH3-2 <=> CH4-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01466,'cm^3/(mol*s)'), n=4.34, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32249,8 +32116,8 @@ ) entry( - index = 2260, - label = "C2H4S2 + C2H5 <=> C2H6 + C2H3S2", + index = 2251, + label = "C2H4S2-2 + C2H5-2 <=> C2H6-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001658,'cm^3/(mol*s)'), n=4.34, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32262,8 +32129,8 @@ ) entry( - index = 2261, - label = "C2H4S2 + C3H7 <=> C3H8 + C2H3S2", + index = 2252, + label = "C2H4S2-2 + C3H7-2 <=> C3H8-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00154,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32275,8 +32142,8 @@ ) entry( - index = 2262, - label = "C2H4S2 + C4H9-4 <=> iC4H10b + C2H3S2", + index = 2253, + label = "C2H4S2-2 + C4H9-5 <=> C4H10-5 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001244,'cm^3/(mol*s)'), n=4.34, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32288,8 +32155,8 @@ ) entry( - index = 2263, - label = "C2H4S2 + C3H5 <=> C3H6 + C2H3S2", + index = 2254, + label = "C2H4S2-2 + C3H5-3 <=> C3H6-3 + C2H3S2-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00968,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32301,8 +32168,8 @@ ) entry( - index = 2264, - label = "C2H4S2 + C4H7-4 <=> C4H8-4 + C2H3S2", + index = 2255, + label = "C2H4S2-2 + C4H7-10 <=> C4H8-10 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00242,'cm^3/(mol*s)'), n=4.34, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32314,8 +32181,8 @@ ) entry( - index = 2265, - label = "C2H4S2 + C5H9-5 <=> C5H10-3 + C2H3S2", + index = 2256, + label = "C2H4S2-2 + C5H9-6 <=> C5H10-6 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000302,'cm^3/(mol*s)'), n=4.34, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32327,8 +32194,8 @@ ) entry( - index = 2266, - label = "C2H4S2 + C5H7-2 <=> C5H8-2 + C2H3S2", + index = 2257, + label = "C2H4S2-2 + C5H7-2 <=> C5H8-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001784,'cm^3/(mol*s)'), n=4.34, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32340,8 +32207,8 @@ ) entry( - index = 2267, - label = "C2H4S2 + C6H9 <=> C6H10 + C2H3S2", + index = 2258, + label = "C2H4S2-2 + C6H9 <=> C6H10 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(6.42e-05,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32353,8 +32220,8 @@ ) entry( - index = 2268, - label = "C3H3-2 + C2H4S2 <=> C3H4 + C2H3S2", + index = 2259, + label = "C3H3-3 + C2H4S2-2 <=> C3H4-3 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0034,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32366,8 +32233,8 @@ ) entry( - index = 2269, - label = "C4H3 + C3H6S-2 <=> C4H4 + C3H5S-2", + index = 2260, + label = "C4H3-2 + C3H6S-2 <=> C4H4-2 + C3H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001134,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32379,8 +32246,8 @@ ) entry( - index = 2270, - label = "C4H5-5 + C2H4S2 <=> C4H6 + C2H3S2", + index = 2261, + label = "C4H5-6 + C2H4S2-2 <=> C4H6-6 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000898,'cm^3/(mol*s)'), n=4.34, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32392,8 +32259,8 @@ ) entry( - index = 2271, - label = "C5H7-3 + C2H4S2 <=> C5H8 + C2H3S2", + index = 2262, + label = "C5H7-3 + C2H4S2-2 <=> C5H8-3 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000272,'cm^3/(mol*s)'), n=4.34, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32405,8 +32272,8 @@ ) entry( - index = 2272, - label = "C5H3 + C2H4S2 <=> C5H4 + C2H3S2", + index = 2263, + label = "C5H3 + C2H4S2-2 <=> C5H4 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001022,'cm^3/(mol*s)'), n=4.34, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32418,8 +32285,8 @@ ) entry( - index = 2273, - label = "C6H5-2 + C2H4S2 <=> C6H6-2 + C2H3S2", + index = 2264, + label = "C6H5-3 + C2H4S2-2 <=> C6H6-3 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.32e-05,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32431,8 +32298,8 @@ ) entry( - index = 2274, - label = "C2H4S2 + C7H7 <=> C7H8 + C2H3S2", + index = 2265, + label = "C2H4S2-2 + C7H7-5 <=> C7H8-5 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0045,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32444,8 +32311,8 @@ ) entry( - index = 2275, - label = "C2H4S2 + C8H9 <=> C8H10 + C2H3S2", + index = 2266, + label = "C2H4S2-2 + C8H9-2 <=> C8H10-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001522,'cm^3/(mol*s)'), n=4.34, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32457,8 +32324,8 @@ ) entry( - index = 2276, - label = "C2H4S2 + C9H11 <=> C9H12 + C2H3S2", + index = 2267, + label = "C2H4S2-2 + C9H11-2 <=> C9H12-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(6e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32470,8 +32337,8 @@ ) entry( - index = 2277, - label = "C2H3 + C2H4S2 <=> C2H4 + C2H3S2", + index = 2268, + label = "C2H3 + C2H4S2-2 <=> C2H4 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0158,'cm^3/(mol*s)'), n=4.34, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32483,8 +32350,8 @@ ) entry( - index = 2278, - label = "C2H4S2 + C3H5-2 <=> C3H6-2 + C2H3S2", + index = 2269, + label = "C2H4S2-2 + C3H5-2 <=> C3H6-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00718,'cm^3/(mol*s)'), n=4.34, Ea=(-16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32496,8 +32363,8 @@ ) entry( - index = 2279, - label = "C2H4S2 + C4H5-3 <=> C4H6-4 + C2H3S2", + index = 2270, + label = "C2H4S2-2 + C4H5-7 <=> C4H6-7 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0073,'cm^3/(mol*s)'), n=4.34, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32509,8 +32376,8 @@ ) entry( - index = 2280, - label = "C2H4S2 + C6H5 <=> C6H6 + C2H3S2", + index = 2271, + label = "C2H4S2-2 + C6H5-2 <=> C6H6-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.02,'cm^3/(mol*s)'), n=4.34, Ea=(-21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32522,8 +32389,8 @@ ) entry( - index = 2281, - label = "C3H3 + C2H4S2 <=> C3H4-1 + C2H3S2", + index = 2272, + label = "C3H3-4 + C2H4S2-2 <=> C3H4-4 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00548,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32535,8 +32402,8 @@ ) entry( - index = 2282, - label = "CH3S-2 + C2H4S2 <=> CH3SH_r2 + C2H3S2", + index = 2273, + label = "CH3S-4 + C2H4S2-2 <=> CH4S-4 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000368,'cm^3/(mol*s)'), n=4.34, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32548,8 +32415,8 @@ ) entry( - index = 2283, - label = "C2H5S + C2H4S2 <=> C2H6S + C2H3S2", + index = 2274, + label = "C2H5S + C2H4S2-2 <=> C2H6S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000828,'cm^3/(mol*s)'), n=4.34, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32561,8 +32428,8 @@ ) entry( - index = 2284, - label = "C3H7S + C2H4S2 <=> C3H8S + C2H3S2", + index = 2275, + label = "C3H7S + C2H4S2-2 <=> C3H8S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000386,'cm^3/(mol*s)'), n=4.34, Ea=(-14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32574,8 +32441,8 @@ ) entry( - index = 2285, - label = "C2H4S2 + C2H3S-2 <=> C2H4S-2 + C2H3S2", + index = 2276, + label = "C2H4S2-2 + C2H3S-2 <=> C2H4S-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00298,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32587,8 +32454,8 @@ ) entry( - index = 2286, - label = "C2H4S2 + C3H5S <=> C3H6S + C2H3S2", + index = 2277, + label = "C2H4S2-2 + C3H5S-3 <=> C3H6S-3 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00372,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32600,8 +32467,8 @@ ) entry( - index = 2287, - label = "C2H4S2 + C4H7S <=> C4H8S + C2H3S2", + index = 2278, + label = "C2H4S2-2 + C4H7S <=> C4H8S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001378,'cm^3/(mol*s)'), n=4.34, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32613,8 +32480,8 @@ ) entry( - index = 2288, - label = "C2H3S-3 + C2H4S2 <=> C2H4S-3 + C2H3S2", + index = 2279, + label = "C2H3S-3 + C2H4S2-2 <=> C2H4S-3 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00234,'cm^3/(mol*s)'), n=4.34, Ea=(-50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32626,8 +32493,8 @@ ) entry( - index = 2289, - label = "C2H4S2 + C3H3S <=> C3H4S + C2H3S2", + index = 2280, + label = "C2H4S2-2 + C3H3S <=> C3H4S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0632,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32639,8 +32506,8 @@ ) entry( - index = 2290, - label = "C3H5S-2 + C2H4S2 <=> C3H6S-2 + C2H3S2", + index = 2281, + label = "C3H5S-4 + C2H4S2-2 <=> C3H6S-4 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000726,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32652,8 +32519,8 @@ ) entry( - index = 2291, - label = "C4H7S-2 + C2H4S2 <=> C4H8S-2 + C2H3S2", + index = 2282, + label = "C4H7S-2 + C2H4S2-2 <=> C4H8S-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(7.5e-05,'cm^3/(mol*s)'), n=4.34, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32665,8 +32532,8 @@ ) entry( - index = 2292, - label = "C3H5S2 + C2H4S2 <=> C3H6S2 + C2H3S2", + index = 2283, + label = "C3H5S2 + C2H4S2-2 <=> C3H6S2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00062,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32678,8 +32545,8 @@ ) entry( - index = 2293, - label = "C3H3S-2 + C2H4S2 <=> C3H4S-2 + C2H3S2", + index = 2284, + label = "C3H3S-2 + C2H4S2-2 <=> C3H4S-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000506,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32691,8 +32558,8 @@ ) entry( - index = 2294, - label = "C4H5S + C2H4S2 <=> C4H6S + C2H3S2", + index = 2285, + label = "C4H5S + C2H4S2-2 <=> C4H6S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001598,'cm^3/(mol*s)'), n=4.34, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32704,8 +32571,8 @@ ) entry( - index = 2295, - label = "C7H7S + C2H4S2 <=> C7H8S + C2H3S2", + index = 2286, + label = "C7H7S + C2H4S2-2 <=> C7H8S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001738,'cm^3/(mol*s)'), n=4.34, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32717,8 +32584,8 @@ ) entry( - index = 2296, - label = "C8H9S + C2H4S2 <=> C8H10S + C2H3S2", + index = 2287, + label = "C8H9S + C2H4S2-2 <=> C8H10S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(5.04e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32730,8 +32597,8 @@ ) entry( - index = 2297, - label = "CHS + C2H4S2 <=> CH2S + C2H3S2", + index = 2288, + label = "CHS + C2H4S2-2 <=> CH2S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0544,'cm^3/(mol*s)'), n=4.34, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32743,8 +32610,8 @@ ) entry( - index = 2298, - label = "C2H4S2 + C2H3S <=> C2H4S + C2H3S2", + index = 2289, + label = "C2H4S2-2 + C2H3S-4 <=> C2H4S-4 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0278,'cm^3/(mol*s)'), n=4.34, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32756,8 +32623,8 @@ ) entry( - index = 2299, - label = "CHS2 + C2H4S2 <=> CH2S2 + C2H3S2", + index = 2290, + label = "CHS2 + C2H4S2-2 <=> CH2S2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00406,'cm^3/(mol*s)'), n=4.34, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32769,8 +32636,8 @@ ) entry( - index = 2300, - label = "C2H4S2 + C3H3S-3 <=> C3H4S-3 + C2H3S2", + index = 2291, + label = "C2H4S2-2 + C3H3S-3 <=> C3H4S-3 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0228,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32782,8 +32649,8 @@ ) entry( - index = 2301, - label = "C3HS + C2H4S2 <=> C3H2S + C2H3S2", + index = 2292, + label = "C3HS + C2H4S2-2 <=> C3H2S + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0638,'cm^3/(mol*s)'), n=4.34, Ea=(64.0152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32795,8 +32662,8 @@ ) entry( - index = 2302, - label = "C4H3 + C3H6S2 <=> C4H4 + C3H5S2", + index = 2293, + label = "C4H3-2 + C3H6S2-2 <=> C4H4-2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000379,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32808,8 +32675,8 @@ ) entry( - index = 2303, - label = "H + C3H4S-2 <=> H2 + C3H3S-2", + index = 2294, + label = "H + C3H4S-5 <=> H2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.286,'cm^3/(mol*s)'), n=4.34, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32821,8 +32688,8 @@ ) entry( - index = 2304, - label = "C3H4S-2 + CH3_r3 <=> CH4b + C3H3S-2", + index = 2295, + label = "C3H4S-5 + CH3-2 <=> CH4-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00678,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32834,8 +32701,8 @@ ) entry( - index = 2305, - label = "C3H4S-2 + C2H5 <=> C2H6 + C3H3S-2", + index = 2296, + label = "C3H4S-5 + C2H5-2 <=> C2H6-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000922,'cm^3/(mol*s)'), n=4.34, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32847,8 +32714,8 @@ ) entry( - index = 2306, - label = "C3H4S-2 + C3H7 <=> C3H8 + C3H3S-2", + index = 2297, + label = "C3H4S-5 + C3H7-2 <=> C3H8-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001028,'cm^3/(mol*s)'), n=4.34, Ea=(3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32860,8 +32727,8 @@ ) entry( - index = 2307, - label = "C3H4S-2 + C4H9-4 <=> iC4H10b + C3H3S-2", + index = 2298, + label = "C3H4S-5 + C4H9-5 <=> C4H10-5 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000996,'cm^3/(mol*s)'), n=4.34, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32873,8 +32740,8 @@ ) entry( - index = 2308, - label = "C3H4S-2 + C3H5 <=> C3H6 + C3H3S-2", + index = 2299, + label = "C3H4S-5 + C3H5-3 <=> C3H6-3 + C3H3S-5", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00756,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32886,8 +32753,8 @@ ) entry( - index = 2309, - label = "C3H4S-2 + C4H7-4 <=> C4H8-4 + C3H3S-2", + index = 2300, + label = "C3H4S-5 + C4H7-10 <=> C4H8-10 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00226,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32899,8 +32766,8 @@ ) entry( - index = 2310, - label = "C3H4S-2 + C5H9-5 <=> C5H10-3 + C3H3S-2", + index = 2301, + label = "C3H4S-5 + C5H9-6 <=> C5H10-6 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000338,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32912,8 +32779,8 @@ ) entry( - index = 2311, - label = "C3H4S-2 + C5H7-2 <=> C5H8-2 + C3H3S-2", + index = 2302, + label = "C3H4S-5 + C5H7-2 <=> C5H8-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00234,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32925,8 +32792,8 @@ ) entry( - index = 2312, - label = "C3H4S-2 + C6H9 <=> C6H10 + C3H3S-2", + index = 2303, + label = "C3H4S-5 + C6H9 <=> C6H10 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001008,'cm^3/(mol*s)'), n=4.34, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32938,8 +32805,8 @@ ) entry( - index = 2313, - label = "C3H4S-2 + C3H3-2 <=> C3H4 + C3H3S-2", + index = 2304, + label = "C3H4S-5 + C3H3-3 <=> C3H4-3 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00478,'cm^3/(mol*s)'), n=4.34, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32951,8 +32818,8 @@ ) entry( - index = 2314, - label = "C3H4S-2 + C4H5-5 <=> C4H6 + C3H3S-2", + index = 2305, + label = "C3H4S-5 + C4H5-6 <=> C4H6-6 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001518,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32964,8 +32831,8 @@ ) entry( - index = 2315, - label = "C5H7-3 + C3H4S-2 <=> C5H8 + C3H3S-2", + index = 2306, + label = "C5H7-3 + C3H4S-5 <=> C5H8-3 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00055,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32977,8 +32844,8 @@ ) entry( - index = 2316, - label = "C4H3 + C2H4S2 <=> C4H4 + C2H3S2", + index = 2307, + label = "C4H3-2 + C2H4S2-2 <=> C4H4-2 + C2H3S2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001712,'cm^3/(mol*s)'), n=4.34, Ea=(10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -32990,8 +32857,8 @@ ) entry( - index = 2317, - label = "C3H4S-2 + C5H3 <=> C5H4 + C3H3S-2", + index = 2308, + label = "C3H4S-5 + C5H3 <=> C5H4 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00436,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33003,8 +32870,8 @@ ) entry( - index = 2318, - label = "C3H4S-2 + C6H5-2 <=> C6H6-2 + C3H3S-2", + index = 2309, + label = "C3H4S-5 + C6H5-3 <=> C6H6-3 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001698,'cm^3/(mol*s)'), n=4.34, Ea=(33.472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33016,8 +32883,8 @@ ) entry( - index = 2319, - label = "C3H4S-2 + C7H7 <=> C7H8 + C3H3S-2", + index = 2310, + label = "C3H4S-5 + C7H7-5 <=> C7H8-5 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0035,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33029,8 +32896,8 @@ ) entry( - index = 2320, - label = "C3H4S-2 + C8H9 <=> C8H10 + C3H3S-2", + index = 2311, + label = "C3H4S-5 + C8H9-2 <=> C8H10-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001422,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33042,8 +32909,8 @@ ) entry( - index = 2321, - label = "C3H4S-2 + C9H11 <=> C9H12 + C3H3S-2", + index = 2312, + label = "C3H4S-5 + C9H11-2 <=> C9H12-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(6.72e-05,'cm^3/(mol*s)'), n=4.34, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33055,8 +32922,8 @@ ) entry( - index = 2322, - label = "C3H4S-2 + C2H3 <=> C2H4 + C3H3S-2", + index = 2313, + label = "C3H4S-5 + C2H3 <=> C2H4 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00732,'cm^3/(mol*s)'), n=4.34, Ea=(-9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33068,8 +32935,8 @@ ) entry( - index = 2323, - label = "C3H4S-2 + C3H5-2 <=> C3H6-2 + C3H3S-2", + index = 2314, + label = "C3H4S-5 + C3H5-2 <=> C3H6-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00398,'cm^3/(mol*s)'), n=4.34, Ea=(-13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33081,8 +32948,8 @@ ) entry( - index = 2324, - label = "C3H4S-2 + C4H5-3 <=> C4H6-4 + C3H3S-2", + index = 2315, + label = "C3H4S-5 + C4H5-7 <=> C4H6-7 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00338,'cm^3/(mol*s)'), n=4.34, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33094,8 +32961,8 @@ ) entry( - index = 2325, - label = "C3H4S-2 + C6H5 <=> C6H6 + C3H3S-2", + index = 2316, + label = "C3H4S-5 + C6H5-2 <=> C6H6-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00932,'cm^3/(mol*s)'), n=4.34, Ea=(-20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33107,8 +32974,8 @@ ) entry( - index = 2326, - label = "C3H4S-2 + C3H3 <=> C3H4-1 + C3H3S-2", + index = 2317, + label = "C3H4S-5 + C3H3-4 <=> C3H4-4 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00426,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33120,8 +32987,8 @@ ) entry( - index = 2327, - label = "C3H4S-2 + CH3S-2 <=> CH3SH_r2 + C3H3S-2", + index = 2318, + label = "C3H4S-5 + CH3S-4 <=> CH4S-4 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000564,'cm^3/(mol*s)'), n=4.34, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33133,8 +33000,8 @@ ) entry( - index = 2328, - label = "C3H4S-2 + C2H5S <=> C2H6S + C3H3S-2", + index = 2319, + label = "C3H4S-5 + C2H5S <=> C2H6S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001526,'cm^3/(mol*s)'), n=4.34, Ea=(3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33146,8 +33013,8 @@ ) entry( - index = 2329, - label = "C3H4S-2 + C3H7S <=> C3H8S + C3H3S-2", + index = 2320, + label = "C3H4S-5 + C3H7S <=> C3H8S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000854,'cm^3/(mol*s)'), n=4.34, Ea=(-4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33159,8 +33026,8 @@ ) entry( - index = 2330, - label = "C3H4S-2 + C2H3S-2 <=> C2H4S-2 + C3H3S-2", + index = 2321, + label = "C3H4S-5 + C2H3S-2 <=> C2H4S-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001122,'cm^3/(mol*s)'), n=4.34, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33172,8 +33039,8 @@ ) entry( - index = 2331, - label = "C3H4S-2 + C3H5S <=> C3H6S + C3H3S-2", + index = 2322, + label = "C3H4S-5 + C3H5S-3 <=> C3H6S-3 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001684,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33185,8 +33052,8 @@ ) entry( - index = 2332, - label = "C3H4S-2 + C4H7S <=> C4H8S + C3H3S-2", + index = 2323, + label = "C3H4S-5 + C4H7S <=> C4H8S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000748,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33198,8 +33065,8 @@ ) entry( - index = 2333, - label = "C2H3S-3 + C3H4S-2 <=> C2H4S-3 + C3H3S-2", + index = 2324, + label = "C2H3S-3 + C3H4S-5 <=> C2H4S-3 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000882,'cm^3/(mol*s)'), n=4.34, Ea=(-35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33211,8 +33078,8 @@ ) entry( - index = 2334, - label = "C3H4S-2 + C3H3S <=> C3H4S + C3H3S-2", + index = 2325, + label = "C3H4S-5 + C3H3S <=> C3H4S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0292,'cm^3/(mol*s)'), n=4.34, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33224,8 +33091,8 @@ ) entry( - index = 2335, - label = "C3H4S-2 + C3H5S-2 <=> C3H6S-2 + C3H3S-2", + index = 2326, + label = "C3H4S-5 + C3H5S-4 <=> C3H6S-4 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001872,'cm^3/(mol*s)'), n=4.34, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33237,8 +33104,8 @@ ) entry( - index = 2336, - label = "C3H4S-2 + C4H7S-2 <=> C4H8S-2 + C3H3S-2", + index = 2327, + label = "C3H4S-5 + C4H7S-2 <=> C4H8S-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000232,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33250,8 +33117,8 @@ ) entry( - index = 2337, - label = "C3H4S-2 + C2H3S2 <=> C2H4S2 + C3H3S-2", + index = 2328, + label = "C3H4S-5 + C2H3S2 <=> C2H4S2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00364,'cm^3/(mol*s)'), n=4.34, Ea=(64.4754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33263,8 +33130,8 @@ ) entry( - index = 2338, - label = "C3H4S-2 + C3H5S2 <=> C3H6S2 + C3H3S-2", + index = 2329, + label = "C3H4S-5 + C3H5S2 <=> C3H6S2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00093,'cm^3/(mol*s)'), n=4.34, Ea=(63.2202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33276,8 +33143,8 @@ ) entry( - index = 2339, - label = "C4H5S + C3H4S-2 <=> C4H6S + C3H3S-2", + index = 2330, + label = "C4H5S + C3H4S-5 <=> C4H6S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000896,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33289,8 +33156,8 @@ ) entry( - index = 2340, - label = "C3H4S-2 + C7H7S <=> C7H8S + C3H3S-2", + index = 2331, + label = "C3H4S-5 + C7H7S <=> C7H8S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000448,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33302,8 +33169,8 @@ ) entry( - index = 2341, - label = "C3H4S-2 + C8H9S <=> C8H10S + C3H3S-2", + index = 2332, + label = "C3H4S-5 + C8H9S <=> C8H10S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001562,'cm^3/(mol*s)'), n=4.34, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33315,8 +33182,8 @@ ) entry( - index = 2342, - label = "CHS + C3H4S-2 <=> CH2S + C3H3S-2", + index = 2333, + label = "CHS + C3H4S-5 <=> CH2S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0252,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33328,8 +33195,8 @@ ) entry( - index = 2343, - label = "C3H4S-2 + C2H3S <=> C2H4S + C3H3S-2", + index = 2334, + label = "C3H4S-5 + C2H3S-4 <=> C2H4S-4 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0155,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33341,8 +33208,8 @@ ) entry( - index = 2344, - label = "CHS2 + C3H4S-2 <=> CH2S2 + C3H3S-2", + index = 2335, + label = "CHS2 + C3H4S-5 <=> CH2S2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00624,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33354,8 +33221,8 @@ ) entry( - index = 2345, - label = "C3H4S-2 + C3H3S-3 <=> C3H4S-3 + C3H3S-2", + index = 2336, + label = "C3H4S-5 + C3H3S-3 <=> C3H4S-3 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01056,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33367,8 +33234,8 @@ ) entry( - index = 2346, - label = "C3H4S-2 + C3HS <=> C3H2S + C3H3S-2", + index = 2337, + label = "C3H4S-5 + C3HS <=> C3H2S + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0296,'cm^3/(mol*s)'), n=4.34, Ea=(64.852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33380,8 +33247,8 @@ ) entry( - index = 2347, - label = "H + C4H6S <=> H2 + C4H5S", + index = 2338, + label = "H + C4H6S-2 <=> H2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.175,'cm^3/(mol*s)'), n=4.34, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33393,8 +33260,8 @@ ) entry( - index = 2348, - label = "C4H6S + CH3_r3 <=> CH4b + C4H5S", + index = 2339, + label = "C4H6S-2 + CH3-2 <=> CH4-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00416,'cm^3/(mol*s)'), n=4.34, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33406,8 +33273,8 @@ ) entry( - index = 2349, - label = "C4H6S + C2H5 <=> C2H6 + C4H5S", + index = 2340, + label = "C4H6S-2 + C2H5-2 <=> C2H6-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000461,'cm^3/(mol*s)'), n=4.34, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33419,8 +33286,8 @@ ) entry( - index = 2350, - label = "C4H6S + C3H7 <=> C3H8 + C4H5S", + index = 2341, + label = "C4H6S-2 + C3H7-2 <=> C3H8-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00042,'cm^3/(mol*s)'), n=4.34, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33432,8 +33299,8 @@ ) entry( - index = 2351, - label = "C4H6S + C4H9-4 <=> iC4H10b + C4H5S", + index = 2342, + label = "C4H6S-2 + C4H9-5 <=> C4H10-5 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000332,'cm^3/(mol*s)'), n=4.34, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33445,8 +33312,8 @@ ) entry( - index = 2352, - label = "C4H6S + C3H5 <=> C3H6 + C4H5S", + index = 2343, + label = "C4H6S-2 + C3H5-3 <=> C3H6-3 + C4H5S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00378,'cm^3/(mol*s)'), n=4.34, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33458,8 +33325,8 @@ ) entry( - index = 2353, - label = "C4H6S + C4H7-4 <=> C4H8-4 + C4H5S", + index = 2344, + label = "C4H6S-2 + C4H7-10 <=> C4H8-10 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000924,'cm^3/(mol*s)'), n=4.34, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33471,8 +33338,8 @@ ) entry( - index = 2354, - label = "C4H6S + C5H9-5 <=> C5H10-3 + C4H5S", + index = 2345, + label = "C4H6S-2 + C5H9-6 <=> C5H10-6 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000113,'cm^3/(mol*s)'), n=4.34, Ea=(18.4096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33484,8 +33351,8 @@ ) entry( - index = 2355, - label = "C4H6S + C5H7-2 <=> C5H8-2 + C4H5S", + index = 2346, + label = "C4H6S-2 + C5H7-2 <=> C5H8-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000961,'cm^3/(mol*s)'), n=4.34, Ea=(42.5931,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33497,8 +33364,8 @@ ) entry( - index = 2356, - label = "C4H6S + C6H9 <=> C6H10 + C4H5S", + index = 2347, + label = "C4H6S-2 + C6H9 <=> C6H10 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.39e-05,'cm^3/(mol*s)'), n=4.34, Ea=(28.8696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33510,8 +33377,8 @@ ) entry( - index = 2357, - label = "C3H3-2 + C4H6S <=> C3H4 + C4H5S", + index = 2348, + label = "C3H3-3 + C4H6S-2 <=> C3H4-3 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0024,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33523,8 +33390,8 @@ ) entry( - index = 2358, - label = "C4H6S + C4H5-5 <=> C4H6 + C4H5S", + index = 2349, + label = "C4H6S-2 + C4H5-6 <=> C4H6-6 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000622,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33536,8 +33403,8 @@ ) entry( - index = 2359, - label = "C5H7-3 + C4H6S <=> C5H8 + C4H5S", + index = 2350, + label = "C5H7-3 + C4H6S-2 <=> C5H8-3 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000184,'cm^3/(mol*s)'), n=4.34, Ea=(9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33549,8 +33416,8 @@ ) entry( - index = 2360, - label = "C4H6S + C5H3 <=> C5H4 + C4H5S", + index = 2351, + label = "C4H6S-2 + C5H3 <=> C5H4 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0018,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33562,8 +33429,8 @@ ) entry( - index = 2361, - label = "C6H5-2 + C4H6S <=> C6H6-2 + C4H5S", + index = 2352, + label = "C6H5-3 + C4H6S-2 <=> C6H6-3 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(5.71e-05,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33575,8 +33442,8 @@ ) entry( - index = 2362, - label = "C4H6S + C7H7 <=> C7H8 + C4H5S", + index = 2353, + label = "C4H6S-2 + C7H7-5 <=> C7H8-5 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00176,'cm^3/(mol*s)'), n=4.34, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33588,8 +33455,8 @@ ) entry( - index = 2363, - label = "C4H6S + C8H9 <=> C8H10 + C4H5S", + index = 2354, + label = "C4H6S-2 + C8H9-2 <=> C8H10-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000583,'cm^3/(mol*s)'), n=4.34, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33601,8 +33468,8 @@ ) entry( - index = 2364, - label = "C4H6S + C9H11 <=> C9H12 + C4H5S", + index = 2355, + label = "C4H6S-2 + C9H11-2 <=> C9H12-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.25e-05,'cm^3/(mol*s)'), n=4.34, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33614,8 +33481,8 @@ ) entry( - index = 2365, - label = "C4H6S + C2H3 <=> C2H4 + C4H5S", + index = 2356, + label = "C4H6S-2 + C2H3 <=> C2H4 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00448,'cm^3/(mol*s)'), n=4.34, Ea=(-14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33627,8 +33494,8 @@ ) entry( - index = 2366, - label = "C4H6S + C3H5-2 <=> C3H6-2 + C4H5S", + index = 2357, + label = "C4H6S-2 + C3H5-2 <=> C3H6-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00199,'cm^3/(mol*s)'), n=4.34, Ea=(-19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33640,8 +33507,8 @@ ) entry( - index = 2367, - label = "C4H6S + C4H5-3 <=> C4H6-4 + C4H5S", + index = 2358, + label = "C4H6S-2 + C4H5-7 <=> C4H6-7 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00207,'cm^3/(mol*s)'), n=4.34, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33653,8 +33520,8 @@ ) entry( - index = 2368, - label = "C4H6S + C6H5 <=> C6H6 + C4H5S", + index = 2359, + label = "C4H6S-2 + C6H5-2 <=> C6H6-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0057,'cm^3/(mol*s)'), n=4.34, Ea=(-25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33666,8 +33533,8 @@ ) entry( - index = 2369, - label = "C4H6S + C3H3 <=> C3H4-1 + C4H5S", + index = 2360, + label = "C4H6S-2 + C3H3-4 <=> C3H4-4 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00214,'cm^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33679,8 +33546,8 @@ ) entry( - index = 2370, - label = "C4H6S + CH3S-2 <=> CH3SH_r2 + C4H5S", + index = 2361, + label = "C4H6S-2 + CH3S-4 <=> CH4S-4 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000333,'cm^3/(mol*s)'), n=4.34, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33692,8 +33559,8 @@ ) entry( - index = 2371, - label = "C4H6S + C2H5S <=> C2H6S + C4H5S", + index = 2362, + label = "C4H6S-2 + C2H5S <=> C2H6S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000736,'cm^3/(mol*s)'), n=4.34, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33705,8 +33572,8 @@ ) entry( - index = 2372, - label = "C4H6S + C3H7S <=> C3H8S + C4H5S", + index = 2363, + label = "C4H6S-2 + C3H7S <=> C3H8S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000336,'cm^3/(mol*s)'), n=4.34, Ea=(-14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33718,8 +33585,8 @@ ) entry( - index = 2373, - label = "C4H6S + C2H3S-2 <=> C2H4S-2 + C4H5S", + index = 2364, + label = "C4H6S-2 + C2H3S-2 <=> C2H4S-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00047,'cm^3/(mol*s)'), n=4.34, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33731,8 +33598,8 @@ ) entry( - index = 2374, - label = "C4H6S + C3H5S <=> C3H6S + C4H5S", + index = 2365, + label = "C4H6S-2 + C3H5S-3 <=> C3H6S-3 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000575,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33744,8 +33611,8 @@ ) entry( - index = 2375, - label = "C4H6S + C4H7S <=> C4H8S + C4H5S", + index = 2366, + label = "C4H6S-2 + C4H7S <=> C4H8S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000209,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33757,8 +33624,8 @@ ) entry( - index = 2376, - label = "C2H3S-3 + C4H6S <=> C2H4S-3 + C4H5S", + index = 2367, + label = "C2H3S-3 + C4H6S-2 <=> C2H4S-3 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000369,'cm^3/(mol*s)'), n=4.34, Ea=(-47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33770,8 +33637,8 @@ ) entry( - index = 2377, - label = "C4H6S + C3H3S <=> C3H4S + C4H5S", + index = 2368, + label = "C4H6S-2 + C3H3S <=> C3H4S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0179,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33783,8 +33650,8 @@ ) entry( - index = 2378, - label = "C4H6S + C3H5S-2 <=> C3H6S-2 + C4H5S", + index = 2369, + label = "C4H6S-2 + C3H5S-4 <=> C3H6S-4 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000907,'cm^3/(mol*s)'), n=4.34, Ea=(21.0874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33796,8 +33663,8 @@ ) entry( - index = 2379, - label = "C4H6S + C4H7S-2 <=> C4H8S-2 + C4H5S", + index = 2370, + label = "C4H6S-2 + C4H7S-2 <=> C4H8S-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.18e-05,'cm^3/(mol*s)'), n=4.34, Ea=(16.6105,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33809,8 +33676,8 @@ ) entry( - index = 2380, - label = "C4H6S + C2H3S2 <=> C2H4S2 + C4H5S", + index = 2371, + label = "C4H6S-2 + C2H3S2 <=> C2H4S2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00146,'cm^3/(mol*s)'), n=4.34, Ea=(69.0778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33822,8 +33689,8 @@ ) entry( - index = 2381, - label = "C4H6S + C3H5S2 <=> C3H6S2 + C4H5S", + index = 2372, + label = "C4H6S-2 + C3H5S2 <=> C3H6S2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000306,'cm^3/(mol*s)'), n=4.34, Ea=(67.8226,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33835,8 +33702,8 @@ ) entry( - index = 2382, - label = "C4H6S + C3H3S-2 <=> C3H4S-2 + C4H5S", + index = 2373, + label = "C4H6S-2 + C3H3S-2 <=> C3H4S-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00114,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33848,8 +33715,8 @@ ) entry( - index = 2383, - label = "C4H6S + C7H7S <=> C7H8S + C4H5S", + index = 2374, + label = "C4H6S-2 + C7H7S <=> C7H8S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000217,'cm^3/(mol*s)'), n=4.34, Ea=(8.5772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33861,8 +33728,8 @@ ) entry( - index = 2384, - label = "C4H6S + C8H9S <=> C8H10S + C4H5S", + index = 2375, + label = "C4H6S-2 + C8H9S <=> C8H10S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(6.18e-05,'cm^3/(mol*s)'), n=4.34, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33874,8 +33741,8 @@ ) entry( - index = 2385, - label = "CHS + C4H6S <=> CH2S + C4H5S", + index = 2376, + label = "CHS + C4H6S-2 <=> CH2S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0154,'cm^3/(mol*s)'), n=4.34, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33887,8 +33754,8 @@ ) entry( - index = 2386, - label = "C4H6S + C2H3S <=> C2H4S + C4H5S", + index = 2377, + label = "C4H6S-2 + C2H3S-4 <=> C2H4S-4 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00775,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33900,8 +33767,8 @@ ) entry( - index = 2387, - label = "CHS2 + C4H6S <=> CH2S2 + C4H5S", + index = 2378, + label = "CHS2 + C4H6S-2 <=> CH2S2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00369,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33913,8 +33780,8 @@ ) entry( - index = 2388, - label = "C4H6S + C3H3S-3 <=> C3H4S-3 + C4H5S", + index = 2379, + label = "C4H6S-2 + C3H3S-3 <=> C3H4S-3 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00647,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33926,8 +33793,8 @@ ) entry( - index = 2389, - label = "C3HS + C4H6S <=> C3H2S + C4H5S", + index = 2380, + label = "C3HS + C4H6S-2 <=> C3H2S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0181,'cm^3/(mol*s)'), n=4.34, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33939,8 +33806,8 @@ ) entry( - index = 2390, - label = "H + C7H8S <=> H2 + C7H7S", + index = 2381, + label = "H + C7H8S-2 <=> H2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.27,'cm^3/(mol*s)'), n=4.34, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33952,8 +33819,8 @@ ) entry( - index = 2391, - label = "C7H8S + CH3_r3 <=> CH4b + C7H7S", + index = 2382, + label = "C7H8S-2 + CH3-2 <=> CH4-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00642,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33965,8 +33832,8 @@ ) entry( - index = 2392, - label = "C7H8S + C2H5 <=> C2H6 + C7H7S", + index = 2383, + label = "C7H8S-2 + C2H5-2 <=> C2H6-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000872,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33978,8 +33845,8 @@ ) entry( - index = 2393, - label = "C7H8S + C3H7 <=> C3H8 + C7H7S", + index = 2384, + label = "C7H8S-2 + C3H7-2 <=> C3H8-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000972,'cm^3/(mol*s)'), n=4.34, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -33991,8 +33858,8 @@ ) entry( - index = 2394, - label = "C7H8S + C4H9-4 <=> iC4H10b + C7H7S", + index = 2385, + label = "C7H8S-2 + C4H9-5 <=> C4H10-5 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000942,'cm^3/(mol*s)'), n=4.34, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34004,8 +33871,8 @@ ) entry( - index = 2395, - label = "C7H8S + C3H5 <=> C3H6 + C7H7S", + index = 2386, + label = "C7H8S-2 + C3H5-3 <=> C3H6-3 + C7H7S-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.00712,'cm^3/(mol*s)'), n=4.34, Ea=(41.0032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34017,8 +33884,8 @@ ) entry( - index = 2396, - label = "C7H8S + C4H7-4 <=> C4H8-4 + C7H7S", + index = 2387, + label = "C7H8S-2 + C4H7-10 <=> C4H8-10 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00214,'cm^3/(mol*s)'), n=4.34, Ea=(41.0032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34030,8 +33897,8 @@ ) entry( - index = 2397, - label = "C7H8S + C5H9-5 <=> C5H10-3 + C7H7S", + index = 2388, + label = "C7H8S-2 + C5H9-6 <=> C5H10-6 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00032,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34043,8 +33910,8 @@ ) entry( - index = 2398, - label = "C7H8S + C5H7-2 <=> C5H8-2 + C7H7S", + index = 2389, + label = "C7H8S-2 + C5H7-2 <=> C5H8-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0022,'cm^3/(mol*s)'), n=4.34, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34056,8 +33923,8 @@ ) entry( - index = 2399, - label = "C7H8S + C6H9 <=> C6H10 + C7H7S", + index = 2390, + label = "C7H8S-2 + C6H9 <=> C6H10 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(9.54e-05,'cm^3/(mol*s)'), n=4.34, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34069,8 +33936,8 @@ ) entry( - index = 2400, - label = "C3H3-2 + C7H8S <=> C3H4 + C7H7S", + index = 2391, + label = "C3H3-3 + C7H8S-2 <=> C3H4-3 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00182,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34082,8 +33949,8 @@ ) entry( - index = 2401, - label = "C4H5-5 + C7H8S <=> C4H6 + C7H7S", + index = 2392, + label = "C4H5-6 + C7H8S-2 <=> C4H6-6 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000578,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34095,8 +33962,8 @@ ) entry( - index = 2402, - label = "C5H7-3 + C7H8S <=> C5H8 + C7H7S", + index = 2393, + label = "C5H7-3 + C7H8S-2 <=> C5H8-3 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00021,'cm^3/(mol*s)'), n=4.34, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34108,8 +33975,8 @@ ) entry( - index = 2403, - label = "C5H3 + C7H8S <=> C5H4 + C7H7S", + index = 2394, + label = "C5H3 + C7H8S-2 <=> C5H4 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00067,'cm^3/(mol*s)'), n=4.34, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34121,8 +33988,8 @@ ) entry( - index = 2404, - label = "C6H5-2 + C7H8S <=> C6H6-2 + C7H7S", + index = 2395, + label = "C6H5-3 + C7H8S-2 <=> C6H6-3 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2.6e-05,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34134,8 +34001,8 @@ ) entry( - index = 2405, - label = "C4H3 + C3H4S-2 <=> C4H4 + C3H3S-2", + index = 2396, + label = "C4H3-2 + C3H4S-5 <=> C4H4-2 + C3H3S-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000794,'cm^3/(mol*s)'), n=4.34, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34147,8 +34014,8 @@ ) entry( - index = 2406, - label = "C7H8S + C7H7 <=> C7H8 + C7H7S", + index = 2397, + label = "C7H8S-2 + C7H7-5 <=> C7H8-5 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0033,'cm^3/(mol*s)'), n=4.34, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34160,8 +34027,8 @@ ) entry( - index = 2407, - label = "C7H8S + C8H9 <=> C8H10 + C7H7S", + index = 2398, + label = "C7H8S-2 + C8H9-2 <=> C8H10-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001344,'cm^3/(mol*s)'), n=4.34, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34173,8 +34040,8 @@ ) entry( - index = 2408, - label = "C7H8S + C9H11 <=> C9H12 + C7H7S", + index = 2399, + label = "C7H8S-2 + C9H11-2 <=> C9H12-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(6.36e-05,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34186,8 +34053,8 @@ ) entry( - index = 2409, - label = "C2H3 + C7H8S <=> C2H4 + C7H7S", + index = 2400, + label = "C2H3 + C7H8S-2 <=> C2H4 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00692,'cm^3/(mol*s)'), n=4.34, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34199,8 +34066,8 @@ ) entry( - index = 2410, - label = "C7H8S + C3H5-2 <=> C3H6-2 + C7H7S", + index = 2401, + label = "C7H8S-2 + C3H5-2 <=> C3H6-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00378,'cm^3/(mol*s)'), n=4.34, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34212,8 +34079,8 @@ ) entry( - index = 2411, - label = "C7H8S + C4H5-3 <=> C4H6-4 + C7H7S", + index = 2402, + label = "C7H8S-2 + C4H5-7 <=> C4H6-7 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0032,'cm^3/(mol*s)'), n=4.34, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34225,8 +34092,8 @@ ) entry( - index = 2412, - label = "C7H8S + C6H5 <=> C6H6 + C7H7S", + index = 2403, + label = "C7H8S-2 + C6H5-2 <=> C6H6-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0088,'cm^3/(mol*s)'), n=4.34, Ea=(-14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34238,8 +34105,8 @@ ) entry( - index = 2413, - label = "C3H3 + C7H8S <=> C3H4-1 + C7H7S", + index = 2404, + label = "C3H3-4 + C7H8S-2 <=> C3H4-4 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00404,'cm^3/(mol*s)'), n=4.34, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34251,8 +34118,8 @@ ) entry( - index = 2414, - label = "CH3S-2 + C7H8S <=> CH3SH_r2 + C7H7S", + index = 2405, + label = "CH3S-4 + C7H8S-2 <=> CH4S-4 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000534,'cm^3/(mol*s)'), n=4.34, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34264,8 +34131,8 @@ ) entry( - index = 2415, - label = "C2H5S + C7H8S <=> C2H6S + C7H7S", + index = 2406, + label = "C2H5S + C7H8S-2 <=> C2H6S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001444,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34277,8 +34144,8 @@ ) entry( - index = 2416, - label = "C3H7S + C7H8S <=> C3H8S + C7H7S", + index = 2407, + label = "C3H7S + C7H8S-2 <=> C3H8S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000808,'cm^3/(mol*s)'), n=4.34, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34290,8 +34157,8 @@ ) entry( - index = 2417, - label = "C7H8S + C2H3S-2 <=> C2H4S-2 + C7H7S", + index = 2408, + label = "C7H8S-2 + C2H3S-2 <=> C2H4S-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000772,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34303,8 +34170,8 @@ ) entry( - index = 2418, - label = "C7H8S + C3H5S <=> C3H6S + C7H7S", + index = 2409, + label = "C7H8S-2 + C3H5S-3 <=> C3H6S-3 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001158,'cm^3/(mol*s)'), n=4.34, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34316,8 +34183,8 @@ ) entry( - index = 2419, - label = "C7H8S + C4H7S <=> C4H8S + C7H7S", + index = 2410, + label = "C7H8S-2 + C4H7S <=> C4H8S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000516,'cm^3/(mol*s)'), n=4.34, Ea=(47.6976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34329,8 +34196,8 @@ ) entry( - index = 2420, - label = "C2H3S-3 + C7H8S <=> C2H4S-3 + C7H7S", + index = 2411, + label = "C2H3S-3 + C7H8S-2 <=> C2H4S-3 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000608,'cm^3/(mol*s)'), n=4.34, Ea=(-37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34342,8 +34209,8 @@ ) entry( - index = 2421, - label = "C7H8S + C3H3S <=> C3H4S + C7H7S", + index = 2412, + label = "C7H8S-2 + C3H3S <=> C3H4S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0276,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34355,8 +34222,8 @@ ) entry( - index = 2422, - label = "C3H5S-2 + C7H8S <=> C3H6S-2 + C7H7S", + index = 2413, + label = "C3H5S-4 + C7H8S-2 <=> C3H6S-4 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001772,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34368,8 +34235,8 @@ ) entry( - index = 2423, - label = "C4H7S-2 + C7H8S <=> C4H8S-2 + C7H7S", + index = 2414, + label = "C4H7S-2 + C7H8S-2 <=> C4H8S-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00022,'cm^3/(mol*s)'), n=4.34, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34381,8 +34248,8 @@ ) entry( - index = 2424, - label = "C2H3S2 + C7H8S <=> C2H4S2 + C7H7S", + index = 2415, + label = "C2H3S2 + C7H8S-2 <=> C2H4S2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0025,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34394,8 +34261,8 @@ ) entry( - index = 2425, - label = "C3H5S2 + C7H8S <=> C3H6S2 + C7H7S", + index = 2416, + label = "C3H5S2 + C7H8S-2 <=> C3H6S2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00064,'cm^3/(mol*s)'), n=4.34, Ea=(59.2454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34407,8 +34274,8 @@ ) entry( - index = 2426, - label = "C3H3S-2 + C7H8S <=> C3H4S-2 + C7H7S", + index = 2417, + label = "C3H3S-2 + C7H8S-2 <=> C3H4S-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000898,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34420,8 +34287,8 @@ ) entry( - index = 2427, - label = "C4H5S + C7H8S <=> C4H6S + C7H7S", + index = 2418, + label = "C4H5S + C7H8S-2 <=> C4H6S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00034,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34433,8 +34300,8 @@ ) entry( - index = 2428, - label = "C8H9S + C7H8S <=> C8H10S + C7H7S", + index = 2419, + label = "C8H9S + C7H8S-2 <=> C8H10S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0001476,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34446,8 +34313,8 @@ ) entry( - index = 2429, - label = "CHS + C7H8S <=> CH2S + C7H7S", + index = 2420, + label = "CHS + C7H8S-2 <=> CH2S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0238,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34459,8 +34326,8 @@ ) entry( - index = 2430, - label = "C7H8S + C2H3S <=> C2H4S + C7H7S", + index = 2421, + label = "C7H8S-2 + C2H3S-4 <=> C2H4S-4 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01466,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34472,8 +34339,8 @@ ) entry( - index = 2431, - label = "CHS2 + C7H8S <=> CH2S2 + C7H7S", + index = 2422, + label = "CHS2 + C7H8S-2 <=> CH2S2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00592,'cm^3/(mol*s)'), n=4.34, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34485,8 +34352,8 @@ ) entry( - index = 2432, - label = "C7H8S + C3H3S-3 <=> C3H4S-3 + C7H7S", + index = 2423, + label = "C7H8S-2 + C3H3S-3 <=> C3H4S-3 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00998,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34498,8 +34365,8 @@ ) entry( - index = 2433, - label = "C3HS + C7H8S <=> C3H2S + C7H7S", + index = 2424, + label = "C3HS + C7H8S-2 <=> C3H2S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.028,'cm^3/(mol*s)'), n=4.34, Ea=(70.7096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34511,8 +34378,8 @@ ) entry( - index = 2434, - label = "H + C8H10S <=> H2 + C8H9S", + index = 2425, + label = "H + C8H10S-2 <=> H2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0766,'cm^3/(mol*s)'), n=4.34, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34524,8 +34391,8 @@ ) entry( - index = 2435, - label = "C8H10S + CH3_r3 <=> CH4b + C8H9S", + index = 2426, + label = "C8H10S-2 + CH3-2 <=> CH4-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00182,'cm^3/(mol*s)'), n=4.34, Ea=(10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34537,8 +34404,8 @@ ) entry( - index = 2436, - label = "C8H10S + C2H5 <=> C2H6 + C8H9S", + index = 2427, + label = "C8H10S-2 + C2H5-2 <=> C2H6-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000201,'cm^3/(mol*s)'), n=4.34, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34550,8 +34417,8 @@ ) entry( - index = 2437, - label = "C8H10S + C3H7 <=> C3H8 + C8H9S", + index = 2428, + label = "C8H10S-2 + C3H7-2 <=> C3H8-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000183,'cm^3/(mol*s)'), n=4.34, Ea=(3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34563,8 +34430,8 @@ ) entry( - index = 2438, - label = "C8H10S + C4H9-4 <=> iC4H10b + C8H9S", + index = 2429, + label = "C8H10S-2 + C4H9-5 <=> C4H10-5 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000145,'cm^3/(mol*s)'), n=4.34, Ea=(-4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34576,8 +34443,8 @@ ) entry( - index = 2439, - label = "C8H10S + C3H5 <=> C3H6 + C8H9S", + index = 2430, + label = "C8H10S-2 + C3H5-3 <=> C3H6-3 + C8H9S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.001656,'cm^3/(mol*s)'), n=4.34, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34589,8 +34456,8 @@ ) entry( - index = 2440, - label = "C8H10S + C4H7-4 <=> C4H8-4 + C8H9S", + index = 2431, + label = "C8H10S-2 + C4H7-10 <=> C4H8-10 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000404,'cm^3/(mol*s)'), n=4.34, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34602,8 +34469,8 @@ ) entry( - index = 2441, - label = "C8H10S + C5H9-5 <=> C5H10-3 + C8H9S", + index = 2432, + label = "C8H10S-2 + C5H9-6 <=> C5H10-6 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.95e-05,'cm^3/(mol*s)'), n=4.34, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34615,8 +34482,8 @@ ) entry( - index = 2442, - label = "C8H10S + C5H7-2 <=> C5H8-2 + C8H9S", + index = 2433, + label = "C8H10S-2 + C5H7-2 <=> C5H8-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00042,'cm^3/(mol*s)'), n=4.34, Ea=(44.8943,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34628,8 +34495,8 @@ ) entry( - index = 2443, - label = "C8H10S + C6H9 <=> C6H10 + C8H9S", + index = 2434, + label = "C8H10S-2 + C6H9 <=> C6H10 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.48e-05,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34641,8 +34508,8 @@ ) entry( - index = 2444, - label = "C3H3-2 + C8H10S <=> C3H4 + C8H9S", + index = 2435, + label = "C3H3-3 + C8H10S-2 <=> C3H4-3 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000423,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34654,8 +34521,8 @@ ) entry( - index = 2445, - label = "C4H5-5 + C8H10S <=> C4H6 + C8H9S", + index = 2436, + label = "C4H5-6 + C8H10S-2 <=> C4H6-6 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00011,'cm^3/(mol*s)'), n=4.34, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34667,8 +34534,8 @@ ) entry( - index = 2446, - label = "C5H7-3 + C8H10S <=> C5H8 + C8H9S", + index = 2437, + label = "C5H7-3 + C8H10S-2 <=> C5H8-3 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.25e-05,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34680,8 +34547,8 @@ ) entry( - index = 2447, - label = "C5H3 + C8H10S <=> C5H4 + C8H9S", + index = 2438, + label = "C5H3 + C8H10S-2 <=> C5H4 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000128,'cm^3/(mol*s)'), n=4.34, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34693,8 +34560,8 @@ ) entry( - index = 2448, - label = "C6H5-2 + C8H10S <=> C6H6-2 + C8H9S", + index = 2439, + label = "C6H5-3 + C8H10S-2 <=> C6H6-3 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.05e-06,'cm^3/(mol*s)'), n=4.34, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34706,8 +34573,8 @@ ) entry( - index = 2449, - label = "C8H10S + C7H7 <=> C7H8 + C8H9S", + index = 2440, + label = "C8H10S-2 + C7H7-5 <=> C7H8-5 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000768,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34719,8 +34586,8 @@ ) entry( - index = 2450, - label = "C4H3 + C4H6S <=> C4H4 + C4H5S", + index = 2441, + label = "C4H3-2 + C4H6S-2 <=> C4H4-2 + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000486,'cm^3/(mol*s)'), n=4.34, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34732,8 +34599,8 @@ ) entry( - index = 2451, - label = "C8H10S + C8H9 <=> C8H10 + C8H9S", + index = 2442, + label = "C8H10S-2 + C8H9-2 <=> C8H10-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000255,'cm^3/(mol*s)'), n=4.34, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34745,8 +34612,8 @@ ) entry( - index = 2452, - label = "C8H10S + C9H11 <=> C9H12 + C8H9S", + index = 2443, + label = "C8H10S-2 + C9H11-2 <=> C9H12-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.86e-06,'cm^3/(mol*s)'), n=4.34, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34758,8 +34625,8 @@ ) entry( - index = 2453, - label = "C2H3 + C8H10S <=> C2H4 + C8H9S", + index = 2444, + label = "C2H3 + C8H10S-2 <=> C2H4 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00196,'cm^3/(mol*s)'), n=4.34, Ea=(-8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34771,8 +34638,8 @@ ) entry( - index = 2454, - label = "C8H10S + C3H5-2 <=> C3H6-2 + C8H9S", + index = 2445, + label = "C8H10S-2 + C3H5-2 <=> C3H6-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000872,'cm^3/(mol*s)'), n=4.34, Ea=(-12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34784,8 +34651,8 @@ ) entry( - index = 2455, - label = "C8H10S + C4H5-3 <=> C4H6-4 + C8H9S", + index = 2446, + label = "C8H10S-2 + C4H5-7 <=> C4H6-7 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000904,'cm^3/(mol*s)'), n=4.34, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34797,8 +34664,8 @@ ) entry( - index = 2456, - label = "C8H10S + C6H5 <=> C6H6 + C8H9S", + index = 2447, + label = "C8H10S-2 + C6H5-2 <=> C6H6-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00249,'cm^3/(mol*s)'), n=4.34, Ea=(-19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34810,8 +34677,8 @@ ) entry( - index = 2457, - label = "C3H3 + C8H10S <=> C3H4-1 + C8H9S", + index = 2448, + label = "C3H3-4 + C8H10S-2 <=> C3H4-4 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000937,'cm^3/(mol*s)'), n=4.34, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34823,8 +34690,8 @@ ) entry( - index = 2458, - label = "CH3S-2 + C8H10S <=> CH3SH_r2 + C8H9S", + index = 2449, + label = "CH3S-4 + C8H10S-2 <=> CH4S-4 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000146,'cm^3/(mol*s)'), n=4.34, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34836,8 +34703,8 @@ ) entry( - index = 2459, - label = "C2H5S + C8H10S <=> C2H6S + C8H9S", + index = 2450, + label = "C2H5S + C8H10S-2 <=> C2H6S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000322,'cm^3/(mol*s)'), n=4.34, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34849,8 +34716,8 @@ ) entry( - index = 2460, - label = "C3H7S + C8H10S <=> C3H8S + C8H9S", + index = 2451, + label = "C3H7S + C8H10S-2 <=> C3H8S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000147,'cm^3/(mol*s)'), n=4.34, Ea=(-7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34862,8 +34729,8 @@ ) entry( - index = 2461, - label = "C8H10S + C2H3S-2 <=> C2H4S-2 + C8H9S", + index = 2452, + label = "C8H10S-2 + C2H3S-2 <=> C2H4S-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00015,'cm^3/(mol*s)'), n=4.34, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34875,8 +34742,8 @@ ) entry( - index = 2462, - label = "C8H10S + C3H5S <=> C3H6S + C8H9S", + index = 2453, + label = "C8H10S-2 + C3H5S-3 <=> C3H6S-3 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000183,'cm^3/(mol*s)'), n=4.34, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34888,8 +34755,8 @@ ) entry( - index = 2463, - label = "C8H10S + C4H7S <=> C4H8S + C8H9S", + index = 2454, + label = "C8H10S-2 + C4H7S <=> C4H8S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(6.65e-05,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34901,8 +34768,8 @@ ) entry( - index = 2464, - label = "C2H3S-3 + C8H10S <=> C2H4S-3 + C8H9S", + index = 2455, + label = "C2H3S-3 + C8H10S-2 <=> C2H4S-3 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000118,'cm^3/(mol*s)'), n=4.34, Ea=(-49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34914,8 +34781,8 @@ ) entry( - index = 2465, - label = "C8H10S + C3H3S <=> C3H4S + C8H9S", + index = 2456, + label = "C8H10S-2 + C3H3S <=> C3H4S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00783,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34927,8 +34794,8 @@ ) entry( - index = 2466, - label = "C3H5S-2 + C8H10S <=> C3H6S-2 + C8H9S", + index = 2457, + label = "C3H5S-4 + C8H10S-2 <=> C3H6S-4 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000396,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34940,8 +34807,8 @@ ) entry( - index = 2467, - label = "C4H7S-2 + C8H10S <=> C4H8S-2 + C8H9S", + index = 2458, + label = "C4H7S-2 + C8H10S-2 <=> C4H8S-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.01e-05,'cm^3/(mol*s)'), n=4.34, Ea=(18.9117,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34953,8 +34820,8 @@ ) entry( - index = 2468, - label = "C2H3S2 + C8H10S <=> C2H4S2 + C8H9S", + index = 2459, + label = "C2H3S2 + C8H10S-2 <=> C2H4S2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000466,'cm^3/(mol*s)'), n=4.34, Ea=(71.379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34966,8 +34833,8 @@ ) entry( - index = 2469, - label = "C3H5S2 + C8H10S <=> C3H6S2 + C8H9S", + index = 2460, + label = "C3H5S2 + C8H10S-2 <=> C3H6S2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.75e-05,'cm^3/(mol*s)'), n=4.34, Ea=(70.1238,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34979,8 +34846,8 @@ ) entry( - index = 2470, - label = "C3H3S-2 + C8H10S <=> C3H4S-2 + C8H9S", + index = 2461, + label = "C3H3S-2 + C8H10S-2 <=> C3H4S-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000201,'cm^3/(mol*s)'), n=4.34, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -34992,8 +34859,8 @@ ) entry( - index = 2471, - label = "C4H5S + C8H10S <=> C4H6S + C8H9S", + index = 2462, + label = "C4H5S + C8H10S-2 <=> C4H6S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(6.23e-05,'cm^3/(mol*s)'), n=4.34, Ea=(10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35005,8 +34872,8 @@ ) entry( - index = 2472, - label = "C7H7S + C8H10S <=> C7H8S + C8H9S", + index = 2463, + label = "C7H7S + C8H10S-2 <=> C7H8S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.5e-05,'cm^3/(mol*s)'), n=4.34, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35018,8 +34885,8 @@ ) entry( - index = 2473, - label = "CHS + C8H10S <=> CH2S + C8H9S", + index = 2464, + label = "CHS + C8H10S-2 <=> CH2S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00675,'cm^3/(mol*s)'), n=4.34, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35031,8 +34898,8 @@ ) entry( - index = 2474, - label = "C8H10S + C2H3S <=> C2H4S + C8H9S", + index = 2465, + label = "C8H10S-2 + C2H3S-4 <=> C2H4S-4 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00339,'cm^3/(mol*s)'), n=4.34, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35044,8 +34911,8 @@ ) entry( - index = 2475, - label = "CHS2 + C8H10S <=> CH2S2 + C8H9S", + index = 2466, + label = "CHS2 + C8H10S-2 <=> CH2S2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00161,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35057,8 +34924,8 @@ ) entry( - index = 2476, - label = "C8H10S + C3H3S-3 <=> C3H4S-3 + C8H9S", + index = 2467, + label = "C8H10S-2 + C3H3S-3 <=> C3H4S-3 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00283,'cm^3/(mol*s)'), n=4.34, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35070,8 +34937,8 @@ ) entry( - index = 2477, - label = "C3HS + C8H10S <=> C3H2S + C8H9S", + index = 2468, + label = "C3HS + C8H10S-2 <=> C3H2S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00791,'cm^3/(mol*s)'), n=4.34, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35083,8 +34950,8 @@ ) entry( - index = 2478, - label = "H + CH2S <=> H2 + CHS", + index = 2469, + label = "H + CH2S-2 <=> H2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.246,'cm^3/(mol*s)'), n=4.34, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35096,8 +34963,8 @@ ) entry( - index = 2479, - label = "CH2S + C2H5 <=> C2H6 + CHS", + index = 2470, + label = "CH2S-2 + C2H5-2 <=> C2H6-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00506,'cm^3/(mol*s)'), n=4.34, Ea=(81.0022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35109,8 +34976,8 @@ ) entry( - index = 2480, - label = "CH2S + C3H7 <=> C3H8 + CHS", + index = 2471, + label = "CH2S-2 + C3H7-2 <=> C3H8-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00714,'cm^3/(mol*s)'), n=4.34, Ea=(70.0402,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35122,8 +34989,8 @@ ) entry( - index = 2481, - label = "CH2S + C4H9-4 <=> iC4H10b + CHS", + index = 2472, + label = "CH2S-2 + C4H9-5 <=> C4H10-5 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00876,'cm^3/(mol*s)'), n=4.34, Ea=(65.5214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35135,8 +35002,8 @@ ) entry( - index = 2482, - label = "CH2S + C3H5 <=> C3H6 + CHS", + index = 2473, + label = "CH2S-2 + C3H5-3 <=> C3H6-3 + CHS-2", degeneracy = 4.0, kinetics = Arrhenius(A=(0.16,'cm^3/(mol*s)'), n=4.34, Ea=(134.976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35148,8 +35015,8 @@ ) entry( - index = 2483, - label = "CH2S + C4H7-4 <=> C4H8-4 + CHS", + index = 2474, + label = "CH2S-2 + C4H7-10 <=> C4H8-10 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0604,'cm^3/(mol*s)'), n=4.34, Ea=(123.093,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35161,8 +35028,8 @@ ) entry( - index = 2484, - label = "CH2S + C5H9-5 <=> C5H10-3 + CHS", + index = 2475, + label = "CH2S-2 + C5H9-6 <=> C5H10-6 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01146,'cm^3/(mol*s)'), n=4.34, Ea=(118.575,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35174,8 +35041,8 @@ ) entry( - index = 2485, - label = "CH2S + C5H7-2 <=> C5H8-2 + CHS", + index = 2476, + label = "CH2S-2 + C5H7-2 <=> C5H8-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.242,'cm^3/(mol*s)'), n=4.34, Ea=(161.293,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35187,8 +35054,8 @@ ) entry( - index = 2486, - label = "CH2S + C6H9 <=> C6H10 + CHS", + index = 2477, + label = "CH2S-2 + C6H9 <=> C6H10 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01318,'cm^3/(mol*s)'), n=4.34, Ea=(113.386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35200,8 +35067,8 @@ ) entry( - index = 2487, - label = "C3H3-2 + CH2S <=> C3H4 + CHS", + index = 2478, + label = "C3H3-3 + CH2S-2 <=> C3H4-3 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0408,'cm^3/(mol*s)'), n=4.34, Ea=(129.955,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35213,8 +35080,8 @@ ) entry( - index = 2488, - label = "C4H5-5 + CH2S <=> C4H6 + CHS", + index = 2479, + label = "C4H5-6 + CH2S-2 <=> C4H6-6 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01638,'cm^3/(mol*s)'), n=4.34, Ea=(117.11,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35226,8 +35093,8 @@ ) entry( - index = 2489, - label = "C5H7-3 + CH2S <=> C5H8 + CHS", + index = 2480, + label = "C5H7-3 + CH2S-2 <=> C5H8-3 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00752,'cm^3/(mol*s)'), n=4.34, Ea=(114.976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35239,8 +35106,8 @@ ) entry( - index = 2490, - label = "C5H3 + CH2S <=> C5H4 + CHS", + index = 2481, + label = "C5H3 + CH2S-2 <=> C5H4 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0732,'cm^3/(mol*s)'), n=4.34, Ea=(87.4456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35252,8 +35119,8 @@ ) entry( - index = 2491, - label = "C6H5-2 + CH2S <=> C6H6-2 + CHS", + index = 2482, + label = "C6H5-3 + CH2S-2 <=> C6H6-3 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0036,'cm^3/(mol*s)'), n=4.34, Ea=(92.048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35265,8 +35132,8 @@ ) entry( - index = 2492, - label = "CH2S + C7H7 <=> C7H8 + CHS", + index = 2483, + label = "CH2S-2 + C7H7-5 <=> C7H8-5 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0742,'cm^3/(mol*s)'), n=4.34, Ea=(124.148,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35278,8 +35145,8 @@ ) entry( - index = 2493, - label = "CH2S + C8H9 <=> C8H10 + CHS", + index = 2484, + label = "CH2S-2 + C8H9-2 <=> C8H10-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0382,'cm^3/(mol*s)'), n=4.34, Ea=(113.202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35291,8 +35158,8 @@ ) entry( - index = 2494, - label = "C4H3 + C7H8S <=> C4H4 + C7H7S", + index = 2485, + label = "C4H3-2 + C7H8S-2 <=> C4H4-2 + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00075,'cm^3/(mol*s)'), n=4.34, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35304,8 +35171,8 @@ ) entry( - index = 2495, - label = "CH2S + C9H11 <=> C9H12 + CHS", + index = 2486, + label = "CH2S-2 + C9H11-2 <=> C9H12-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00228,'cm^3/(mol*s)'), n=4.34, Ea=(114.809,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35317,8 +35184,8 @@ ) entry( - index = 2496, - label = "C2H3 + CH2S <=> C2H4 + CHS", + index = 2487, + label = "C2H3 + CH2S-2 <=> C2H4 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0318,'cm^3/(mol*s)'), n=4.34, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35330,8 +35197,8 @@ ) entry( - index = 2497, - label = "CH2S + C3H5-2 <=> C3H6-2 + CHS", + index = 2488, + label = "CH2S-2 + C3H5-2 <=> C3H6-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.022,'cm^3/(mol*s)'), n=4.34, Ea=(10.5018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35343,8 +35210,8 @@ ) entry( - index = 2498, - label = "CH2S + C4H5-3 <=> C4H6-4 + CHS", + index = 2489, + label = "CH2S-2 + C4H5-7 <=> C4H6-7 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.01468,'cm^3/(mol*s)'), n=4.34, Ea=(56.5677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35356,8 +35223,8 @@ ) entry( - index = 2499, - label = "CH2S + C6H5 <=> C6H6 + CHS", + index = 2490, + label = "CH2S-2 + C6H5-2 <=> C6H6-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0406,'cm^3/(mol*s)'), n=4.34, Ea=(-14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35369,8 +35236,8 @@ ) entry( - index = 2500, - label = "C3H3 + CH2S <=> C3H4-1 + CHS", + index = 2491, + label = "C3H3-4 + CH2S-2 <=> C3H4-4 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0904,'cm^3/(mol*s)'), n=4.34, Ea=(103.931,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35382,8 +35249,8 @@ ) entry( - index = 2501, - label = "CH3S-2 + CH2S <=> CH3SH_r2 + CHS", + index = 2492, + label = "CH3S-4 + CH2S-2 <=> CH4S-4 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0118,'cm^3/(mol*s)'), n=4.34, Ea=(105.311,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35395,8 +35262,8 @@ ) entry( - index = 2502, - label = "C2H5S + CH2S <=> C2H6S + CHS", + index = 2493, + label = "C2H5S + CH2S-2 <=> C2H6S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0404,'cm^3/(mol*s)'), n=4.34, Ea=(93.4287,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35408,8 +35275,8 @@ ) entry( - index = 2503, - label = "C3H7S + CH2S <=> C3H8S + CHS", + index = 2494, + label = "C3H7S + CH2S-2 <=> C3H8S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0286,'cm^3/(mol*s)'), n=4.34, Ea=(83.3453,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35421,8 +35288,8 @@ ) entry( - index = 2504, - label = "CH2S + C2H3S-2 <=> C2H4S-2 + CHS", + index = 2495, + label = "CH2S-2 + C2H3S-2 <=> C2H4S-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0966,'cm^3/(mol*s)'), n=4.34, Ea=(84.0984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35434,8 +35301,8 @@ ) entry( - index = 2505, - label = "CH2S + C3H5S <=> C3H6S + CHS", + index = 2496, + label = "CH2S-2 + C3H5S-3 <=> C3H6S-3 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.183,'cm^3/(mol*s)'), n=4.34, Ea=(96.232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35447,8 +35314,8 @@ ) entry( - index = 2506, - label = "CH2S + C4H7S <=> C4H8S + CHS", + index = 2497, + label = "CH2S-2 + C4H7S <=> C4H8S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1028,'cm^3/(mol*s)'), n=4.34, Ea=(106.274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35460,8 +35327,8 @@ ) entry( - index = 2507, - label = "C2H3S-3 + CH2S <=> C2H4S-3 + CHS", + index = 2498, + label = "C2H3S-3 + CH2S-2 <=> C2H4S-3 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0758,'cm^3/(mol*s)'), n=4.34, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35473,8 +35340,8 @@ ) entry( - index = 2508, - label = "CH2S + C3H3S <=> C3H4S + CHS", + index = 2499, + label = "CH2S-2 + C3H3S <=> C3H4S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1272,'cm^3/(mol*s)'), n=4.34, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35486,8 +35353,8 @@ ) entry( - index = 2509, - label = "C3H5S-2 + CH2S <=> C3H6S-2 + CHS", + index = 2500, + label = "C3H5S-4 + CH2S-2 <=> C3H6S-4 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1908,'cm^3/(mol*s)'), n=4.34, Ea=(139.787,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35499,8 +35366,8 @@ ) entry( - index = 2510, - label = "C4H7S-2 + CH2S <=> C4H8S-2 + CHS", + index = 2501, + label = "C4H7S-2 + CH2S-2 <=> C4H8S-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.03,'cm^3/(mol*s)'), n=4.34, Ea=(135.311,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35512,8 +35379,8 @@ ) entry( - index = 2511, - label = "C2H3S2 + CH2S <=> C2H4S2 + CHS", + index = 2502, + label = "C2H3S2 + CH2S-2 <=> C2H4S2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.502,'cm^3/(mol*s)'), n=4.34, Ea=(187.778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35525,8 +35392,8 @@ ) entry( - index = 2512, - label = "C3H5S2 + CH2S <=> C3H6S2 + CHS", + index = 2503, + label = "C3H5S2 + CH2S-2 <=> C3H6S2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.486,'cm^3/(mol*s)'), n=4.34, Ea=(186.523,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35538,8 +35405,8 @@ ) entry( - index = 2513, - label = "C3H3S-2 + CH2S <=> C3H4S-2 + CHS", + index = 2504, + label = "C3H3S-2 + CH2S-2 <=> C3H4S-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0968,'cm^3/(mol*s)'), n=4.34, Ea=(123.302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35551,8 +35418,8 @@ ) entry( - index = 2514, - label = "C4H5S + CH2S <=> C4H6S + CHS", + index = 2505, + label = "C4H5S + CH2S-2 <=> C4H6S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0464,'cm^3/(mol*s)'), n=4.34, Ea=(118.7,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35564,8 +35431,8 @@ ) entry( - index = 2515, - label = "C7H7S + CH2S <=> C7H8S + CHS", + index = 2506, + label = "C7H7S + CH2S-2 <=> C7H8S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0458,'cm^3/(mol*s)'), n=4.34, Ea=(127.277,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35577,8 +35444,8 @@ ) entry( - index = 2516, - label = "C8H9S + CH2S <=> C8H10S + CHS", + index = 2507, + label = "C8H9S + CH2S-2 <=> C8H10S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0202,'cm^3/(mol*s)'), n=4.34, Ea=(116.399,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35590,8 +35457,8 @@ ) entry( - index = 2517, - label = "CH2S + C2H3S <=> C2H4S + CHS", + index = 2508, + label = "CH2S-2 + C2H3S-4 <=> C2H4S-4 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0852,'cm^3/(mol*s)'), n=4.34, Ea=(43.932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35603,8 +35470,8 @@ ) entry( - index = 2518, - label = "CHS2 + CH2S <=> CH2S2 + CHS", + index = 2509, + label = "CHS2 + CH2S-2 <=> CH2S2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1306,'cm^3/(mol*s)'), n=4.34, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35616,8 +35483,8 @@ ) entry( - index = 2519, - label = "CH2S + C3H3S-3 <=> C3H4S-3 + CHS", + index = 2510, + label = "CH2S-2 + C3H3S-3 <=> C3H4S-3 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.046,'cm^3/(mol*s)'), n=4.34, Ea=(76.0651,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35629,8 +35496,8 @@ ) entry( - index = 2520, - label = "C3HS + CH2S <=> C3H2S + CHS", + index = 2511, + label = "C3HS + CH2S-2 <=> C3H2S + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.1286,'cm^3/(mol*s)'), n=4.34, Ea=(71.128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35642,7 +35509,7 @@ ) entry( - index = 2521, + index = 2512, label = "H + C2H4S <=> H2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.252,'cm^3/(mol*s)'), n=4.34, Ea=(32.7189,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35655,8 +35522,8 @@ ) entry( - index = 2522, - label = "CH3_r3 + C2H4S <=> CH4b + C2H3S", + index = 2513, + label = "CH3-2 + C2H4S <=> CH4-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00598,'cm^3/(mol*s)'), n=4.34, Ea=(94.1818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35668,8 +35535,8 @@ ) entry( - index = 2523, - label = "C2H4S + C3H7 <=> C3H8 + C2H3S", + index = 2514, + label = "C2H4S + C3H7-2 <=> C3H8-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000966,'cm^3/(mol*s)'), n=4.34, Ea=(66.5256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35681,8 +35548,8 @@ ) entry( - index = 2524, - label = "C2H4S + C4H9-4 <=> iC4H10b + C2H3S", + index = 2515, + label = "C2H4S + C4H9-5 <=> C4H10-5 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000967,'cm^3/(mol*s)'), n=4.34, Ea=(62.0069,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35694,8 +35561,8 @@ ) entry( - index = 2525, - label = "C3H5 + C2H4S <=> C3H6 + C2H3S", + index = 2516, + label = "C3H5-3 + C2H4S <=> C3H6-3 + C2H3S", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0266,'cm^3/(mol*s)'), n=4.34, Ea=(131.461,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35707,8 +35574,8 @@ ) entry( - index = 2526, - label = "C4H7-4 + C2H4S <=> C4H8-4 + C2H3S", + index = 2517, + label = "C4H7-10 + C2H4S <=> C4H8-10 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0082,'cm^3/(mol*s)'), n=4.34, Ea=(119.579,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35720,8 +35587,8 @@ ) entry( - index = 2527, - label = "C5H9-5 + C2H4S <=> C5H10-3 + C2H3S", + index = 2518, + label = "C5H9-6 + C2H4S <=> C5H10-6 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00127,'cm^3/(mol*s)'), n=4.34, Ea=(115.06,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35733,7 +35600,7 @@ ) entry( - index = 2528, + index = 2519, label = "C5H7-2 + C2H4S <=> C5H8-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0329,'cm^3/(mol*s)'), n=4.34, Ea=(157.779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35746,7 +35613,7 @@ ) entry( - index = 2529, + index = 2520, label = "C6H9 + C2H4S <=> C6H10 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00147,'cm^3/(mol*s)'), n=4.34, Ea=(100.416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35759,8 +35626,8 @@ ) entry( - index = 2530, - label = "C3H3-2 + C2H4S <=> C3H4 + C2H3S", + index = 2521, + label = "C3H3-3 + C2H4S <=> C3H4-3 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00678,'cm^3/(mol*s)'), n=4.34, Ea=(126.44,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35772,8 +35639,8 @@ ) entry( - index = 2531, - label = "C4H5-5 + C2H4S <=> C4H6 + C2H3S", + index = 2522, + label = "C4H5-6 + C2H4S <=> C4H6-6 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00222,'cm^3/(mol*s)'), n=4.34, Ea=(113.596,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35785,8 +35652,8 @@ ) entry( - index = 2532, - label = "C5H7-3 + C2H4S <=> C5H8 + C2H3S", + index = 2523, + label = "C5H7-3 + C2H4S <=> C5H8-3 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000833,'cm^3/(mol*s)'), n=4.34, Ea=(111.462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35798,7 +35665,7 @@ ) entry( - index = 2533, + index = 2524, label = "C5H3 + C2H4S <=> C5H4 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00998,'cm^3/(mol*s)'), n=4.34, Ea=(75.312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35811,8 +35678,8 @@ ) entry( - index = 2534, - label = "C6H5-2 + C2H4S <=> C6H6-2 + C2H3S", + index = 2525, + label = "C6H5-3 + C2H4S <=> C6H6-3 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000401,'cm^3/(mol*s)'), n=4.34, Ea=(79.0776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35824,8 +35691,8 @@ ) entry( - index = 2535, - label = "C7H7 + C2H4S <=> C7H8 + C2H3S", + index = 2526, + label = "C7H7-5 + C2H4S <=> C7H8-5 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0123,'cm^3/(mol*s)'), n=4.34, Ea=(120.633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35837,8 +35704,8 @@ ) entry( - index = 2536, - label = "C2H4S + C8H9 <=> C8H10 + C2H3S", + index = 2527, + label = "C2H4S + C8H9-2 <=> C8H10-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00517,'cm^3/(mol*s)'), n=4.34, Ea=(109.688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35850,8 +35717,8 @@ ) entry( - index = 2537, - label = "C2H4S + C9H11 <=> C9H12 + C2H3S", + index = 2528, + label = "C2H4S + C9H11-2 <=> C9H12-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000253,'cm^3/(mol*s)'), n=4.34, Ea=(111.294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35863,8 +35730,8 @@ ) entry( - index = 2538, - label = "C4H3 + C8H10S <=> C4H4 + C8H9S", + index = 2529, + label = "C4H3-2 + C8H10S-2 <=> C4H4-2 + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000212,'cm^3/(mol*s)'), n=4.34, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35876,7 +35743,7 @@ ) entry( - index = 2539, + index = 2530, label = "C2H3 + C2H4S <=> C2H4 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00645,'cm^3/(mol*s)'), n=4.34, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35889,7 +35756,7 @@ ) entry( - index = 2540, + index = 2531, label = "C3H5-2 + C2H4S <=> C3H6-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00363,'cm^3/(mol*s)'), n=4.34, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35902,8 +35769,8 @@ ) entry( - index = 2541, - label = "C4H5-3 + C2H4S <=> C4H6-4 + C2H3S", + index = 2532, + label = "C4H5-7 + C2H4S <=> C4H6-7 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00298,'cm^3/(mol*s)'), n=4.34, Ea=(53.0531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35915,8 +35782,8 @@ ) entry( - index = 2542, - label = "C6H5 + C2H4S <=> C6H6 + C2H3S", + index = 2533, + label = "C6H5-2 + C2H4S <=> C6H6-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0082,'cm^3/(mol*s)'), n=4.34, Ea=(-17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35928,8 +35795,8 @@ ) entry( - index = 2543, - label = "C3H3 + C2H4S <=> C3H4-1 + C2H3S", + index = 2534, + label = "C3H3-4 + C2H4S <=> C3H4-4 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.015,'cm^3/(mol*s)'), n=4.34, Ea=(100.416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35941,8 +35808,8 @@ ) entry( - index = 2544, - label = "CH3S-2 + C2H4S <=> CH3SH_r2 + C2H3S", + index = 2535, + label = "CH3S-4 + C2H4S <=> CH4S-4 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0023,'cm^3/(mol*s)'), n=4.34, Ea=(101.797,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35954,7 +35821,7 @@ ) entry( - index = 2545, + index = 2536, label = "C3H7S + C2H4S <=> C3H8S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00372,'cm^3/(mol*s)'), n=4.34, Ea=(79.8307,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35967,7 +35834,7 @@ ) entry( - index = 2546, + index = 2537, label = "C2H3S-2 + C2H4S <=> C2H4S-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0134,'cm^3/(mol*s)'), n=4.34, Ea=(77.6969,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -35980,8 +35847,8 @@ ) entry( - index = 2547, - label = "C3H5S + C2H4S <=> C3H6S + C2H3S", + index = 2538, + label = "C3H5S-3 + C2H4S <=> C3H6S-3 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0207,'cm^3/(mol*s)'), n=4.34, Ea=(85.772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -35993,7 +35860,7 @@ ) entry( - index = 2548, + index = 2539, label = "C4H7S + C2H4S <=> C4H8S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00951,'cm^3/(mol*s)'), n=4.34, Ea=(95.3952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36006,7 +35873,7 @@ ) entry( - index = 2549, + index = 2540, label = "C2H3S-3 + C2H4S <=> C2H4S-3 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0105,'cm^3/(mol*s)'), n=4.34, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36019,7 +35886,7 @@ ) entry( - index = 2550, + index = 2541, label = "C3H3S + C2H4S <=> C3H4S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0258,'cm^3/(mol*s)'), n=4.34, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36032,8 +35899,8 @@ ) entry( - index = 2551, - label = "C3H5S-2 + C2H4S <=> C3H6S-2 + C2H3S", + index = 2542, + label = "C3H5S-4 + C2H4S <=> C3H6S-4 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0306,'cm^3/(mol*s)'), n=4.34, Ea=(136.273,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36045,7 +35912,7 @@ ) entry( - index = 2552, + index = 2543, label = "C4H7S-2 + C2H4S <=> C4H8S-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00391,'cm^3/(mol*s)'), n=4.34, Ea=(131.796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36058,7 +35925,7 @@ ) entry( - index = 2553, + index = 2544, label = "C2H3S2 + C2H4S <=> C2H4S2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.2,'cm^3/(mol*s)'), n=4.34, Ea=(184.263,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36071,7 +35938,7 @@ ) entry( - index = 2554, + index = 2545, label = "C3H5S2 + C2H4S <=> C3H6S2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.053,'cm^3/(mol*s)'), n=4.34, Ea=(183.008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36084,7 +35951,7 @@ ) entry( - index = 2555, + index = 2546, label = "C3H3S-2 + C2H4S <=> C3H4S-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0155,'cm^3/(mol*s)'), n=4.34, Ea=(119.788,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36097,7 +35964,7 @@ ) entry( - index = 2556, + index = 2547, label = "C4H5S + C2H4S <=> C4H6S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00608,'cm^3/(mol*s)'), n=4.34, Ea=(115.186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36110,7 +35977,7 @@ ) entry( - index = 2557, + index = 2548, label = "C7H7S + C2H4S <=> C7H8S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00733,'cm^3/(mol*s)'), n=4.34, Ea=(123.763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36123,7 +35990,7 @@ ) entry( - index = 2558, + index = 2549, label = "C8H9S + C2H4S <=> C8H10S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00263,'cm^3/(mol*s)'), n=4.34, Ea=(112.884,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36136,7 +36003,7 @@ ) entry( - index = 2559, + index = 2550, label = "CHS + C2H4S <=> CH2S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0222,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36149,7 +36016,7 @@ ) entry( - index = 2560, + index = 2551, label = "CHS2 + C2H4S <=> CH2S2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0255,'cm^3/(mol*s)'), n=4.34, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36162,7 +36029,7 @@ ) entry( - index = 2561, + index = 2552, label = "C3H3S-3 + C2H4S <=> C3H4S-3 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00931,'cm^3/(mol*s)'), n=4.34, Ea=(72.5506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36175,7 +36042,7 @@ ) entry( - index = 2562, + index = 2553, label = "C3HS + C2H4S <=> C3H2S + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.026,'cm^3/(mol*s)'), n=4.34, Ea=(68.1992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -36188,8 +36055,8 @@ ) entry( - index = 2563, - label = "H + CH2S2 <=> H2 + CHS2", + index = 2554, + label = "H + CH2S2-2 <=> H2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.246,'cm^3/(mol*s)'), n=4.34, Ea=(46.9026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36201,8 +36068,8 @@ ) entry( - index = 2564, - label = "CH2S2 + CH3_r3 <=> CH4b + CHS2", + index = 2555, + label = "CH2S2-2 + CH3-2 <=> CH4-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00582,'cm^3/(mol*s)'), n=4.34, Ea=(108.366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36214,8 +36081,8 @@ ) entry( - index = 2565, - label = "CH2S2 + C2H5 <=> C2H6 + CHS2", + index = 2556, + label = "CH2S2-2 + C2H5-2 <=> C2H6-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000963,'cm^3/(mol*s)'), n=4.34, Ea=(91.6714,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36227,8 +36094,8 @@ ) entry( - index = 2566, - label = "CH2S2 + C3H7 <=> C3H8 + CHS2", + index = 2557, + label = "CH2S2-2 + C3H7-2 <=> C3H8-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00131,'cm^3/(mol*s)'), n=4.34, Ea=(80.7094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36240,8 +36107,8 @@ ) entry( - index = 2567, - label = "CH2S2 + C4H9-4 <=> iC4H10b + CHS2", + index = 2558, + label = "CH2S2-2 + C4H9-5 <=> C4H10-5 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00155,'cm^3/(mol*s)'), n=4.34, Ea=(76.1906,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36253,8 +36120,8 @@ ) entry( - index = 2568, - label = "CH2S2 + C3H5 <=> C3H6 + CHS2", + index = 2559, + label = "CH2S2-2 + C3H5-3 <=> C3H6-3 + CHS2-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.025,'cm^3/(mol*s)'), n=4.34, Ea=(145.645,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36266,8 +36133,8 @@ ) entry( - index = 2569, - label = "CH2S2 + C4H7-4 <=> C4H8-4 + CHS2", + index = 2560, + label = "CH2S2-2 + C4H7-10 <=> C4H8-10 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00908,'cm^3/(mol*s)'), n=4.34, Ea=(133.762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36279,8 +36146,8 @@ ) entry( - index = 2570, - label = "CH2S2 + C5H9-5 <=> C5H10-3 + CHS2", + index = 2561, + label = "CH2S2-2 + C5H9-6 <=> C5H10-6 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00166,'cm^3/(mol*s)'), n=4.34, Ea=(129.244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36292,8 +36159,8 @@ ) entry( - index = 2571, - label = "CH2S2 + C5H7-2 <=> C5H8-2 + CHS2", + index = 2562, + label = "CH2S2-2 + C5H7-2 <=> C5H8-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0297,'cm^3/(mol*s)'), n=4.34, Ea=(171.962,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36305,8 +36172,8 @@ ) entry( - index = 2572, - label = "CH2S2 + C6H9 <=> C6H10 + CHS2", + index = 2563, + label = "CH2S2-2 + C6H9 <=> C6H10 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00157,'cm^3/(mol*s)'), n=4.34, Ea=(80.3328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36318,8 +36185,8 @@ ) entry( - index = 2573, - label = "C3H3-2 + CH2S2 <=> C3H4 + CHS2", + index = 2564, + label = "C3H3-3 + CH2S2-2 <=> C3H4-3 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00636,'cm^3/(mol*s)'), n=4.34, Ea=(140.624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36331,8 +36198,8 @@ ) entry( - index = 2574, - label = "C4H5-5 + CH2S2 <=> C4H6 + CHS2", + index = 2565, + label = "C4H5-6 + CH2S2-2 <=> C4H6-6 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00246,'cm^3/(mol*s)'), n=4.34, Ea=(127.779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36344,8 +36211,8 @@ ) entry( - index = 2575, - label = "C5H7-3 + CH2S2 <=> C5H8 + CHS2", + index = 2566, + label = "C5H7-3 + CH2S2-2 <=> C5H8-3 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00109,'cm^3/(mol*s)'), n=4.34, Ea=(125.646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36357,8 +36224,8 @@ ) entry( - index = 2576, - label = "C5H3 + CH2S2 <=> C5H4 + CHS2", + index = 2567, + label = "C5H3 + CH2S2-2 <=> C5H4 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00902,'cm^3/(mol*s)'), n=4.34, Ea=(63.5131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36370,8 +36237,8 @@ ) entry( - index = 2577, - label = "C6H5-2 + CH2S2 <=> C6H6-2 + CHS2", + index = 2568, + label = "C6H5-3 + CH2S2-2 <=> C6H6-3 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000428,'cm^3/(mol*s)'), n=4.34, Ea=(61.0446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36383,8 +36250,8 @@ ) entry( - index = 2578, - label = "CH2S2 + C7H7 <=> C7H8 + CHS2", + index = 2569, + label = "CH2S2-2 + C7H7-5 <=> C7H8-5 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0116,'cm^3/(mol*s)'), n=4.34, Ea=(134.817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36396,8 +36263,8 @@ ) entry( - index = 2579, - label = "CH2S2 + C8H9 <=> C8H10 + CHS2", + index = 2570, + label = "CH2S2-2 + C8H9-2 <=> C8H10-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00573,'cm^3/(mol*s)'), n=4.34, Ea=(123.872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36409,8 +36276,8 @@ ) entry( - index = 2580, - label = "CH2S2 + C9H11 <=> C9H12 + CHS2", + index = 2571, + label = "CH2S2-2 + C9H11-2 <=> C9H12-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00033,'cm^3/(mol*s)'), n=4.34, Ea=(125.478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36422,8 +36289,8 @@ ) entry( - index = 2581, - label = "CH2S2 + C2H3 <=> C2H4 + CHS2", + index = 2572, + label = "CH2S2-2 + C2H3 <=> C2H4 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00627,'cm^3/(mol*s)'), n=4.34, Ea=(-10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36435,8 +36302,8 @@ ) entry( - index = 2582, - label = "C4H3 + CH2S <=> C4H4 + CHS", + index = 2573, + label = "C4H3-2 + CH2S-2 <=> C4H4-2 + CHS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00344,'cm^3/(mol*s)'), n=4.34, Ea=(18.0749,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36448,8 +36315,8 @@ ) entry( - index = 2583, - label = "CH2S2 + C3H5-2 <=> C3H6-2 + CHS2", + index = 2574, + label = "CH2S2-2 + C3H5-2 <=> C3H6-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00417,'cm^3/(mol*s)'), n=4.34, Ea=(-9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36461,8 +36328,8 @@ ) entry( - index = 2584, - label = "CH2S2 + C4H5-3 <=> C4H6-4 + CHS2", + index = 2575, + label = "CH2S2-2 + C4H5-7 <=> C4H6-7 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0029,'cm^3/(mol*s)'), n=4.34, Ea=(67.2369,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36474,8 +36341,8 @@ ) entry( - index = 2585, - label = "CH2S2 + C6H5 <=> C6H6 + CHS2", + index = 2576, + label = "CH2S2-2 + C6H5-2 <=> C6H6-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00798,'cm^3/(mol*s)'), n=4.34, Ea=(-21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36487,8 +36354,8 @@ ) entry( - index = 2586, - label = "C3H3 + CH2S2 <=> C3H4-1 + CHS2", + index = 2577, + label = "C3H3-4 + CH2S2-2 <=> C3H4-4 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0141,'cm^3/(mol*s)'), n=4.34, Ea=(114.6,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36500,8 +36367,8 @@ ) entry( - index = 2587, - label = "CH3S-2 + CH2S2 <=> CH3SH_r2 + CHS2", + index = 2578, + label = "CH3S-4 + CH2S2-2 <=> CH4S-4 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000612,'cm^3/(mol*s)'), n=4.34, Ea=(115.98,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36513,8 +36380,8 @@ ) entry( - index = 2588, - label = "CH2S2 + C2H5S <=> C2H6S + CHS2", + index = 2579, + label = "CH2S2-2 + C2H5S <=> C2H6S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00202,'cm^3/(mol*s)'), n=4.34, Ea=(104.098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36526,8 +36393,8 @@ ) entry( - index = 2589, - label = "CH2S2 + C3H7S <=> C3H8S + CHS2", + index = 2580, + label = "CH2S2-2 + C3H7S <=> C3H8S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00137,'cm^3/(mol*s)'), n=4.34, Ea=(94.0145,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36539,8 +36406,8 @@ ) entry( - index = 2590, - label = "CH2S2 + C2H3S-2 <=> C2H4S-2 + CHS2", + index = 2581, + label = "CH2S2-2 + C2H3S-2 <=> C2H4S-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00454,'cm^3/(mol*s)'), n=4.34, Ea=(91.8806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36552,8 +36419,8 @@ ) entry( - index = 2591, - label = "CH2S2 + C3H5S <=> C3H6S + CHS2", + index = 2582, + label = "CH2S2-2 + C3H5S-3 <=> C3H6S-3 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00829,'cm^3/(mol*s)'), n=4.34, Ea=(80.542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36565,8 +36432,8 @@ ) entry( - index = 2592, - label = "CH2S2 + C4H7S <=> C4H8S + CHS2", + index = 2583, + label = "CH2S2-2 + C4H7S <=> C4H8S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00449,'cm^3/(mol*s)'), n=4.34, Ea=(77.404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36578,8 +36445,8 @@ ) entry( - index = 2593, - label = "C2H3S-3 + CH2S2 <=> C2H4S-3 + CHS2", + index = 2584, + label = "C2H3S-3 + CH2S2-2 <=> C2H4S-3 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00357,'cm^3/(mol*s)'), n=4.34, Ea=(-17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36591,8 +36458,8 @@ ) entry( - index = 2594, - label = "CH2S2 + C3H3S <=> C3H4S + CHS2", + index = 2585, + label = "CH2S2-2 + C3H3S <=> C3H4S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0251,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36604,8 +36471,8 @@ ) entry( - index = 2595, - label = "CH2S2 + C3H5S-2 <=> C3H6S-2 + CHS2", + index = 2586, + label = "CH2S2-2 + C3H5S-4 <=> C3H6S-4 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00783,'cm^3/(mol*s)'), n=4.34, Ea=(150.457,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36617,8 +36484,8 @@ ) entry( - index = 2596, - label = "C4H7S-2 + CH2S2 <=> C4H8S-2 + CHS2", + index = 2587, + label = "C4H7S-2 + CH2S2-2 <=> C4H8S-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00118,'cm^3/(mol*s)'), n=4.34, Ea=(145.98,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36630,8 +36497,8 @@ ) entry( - index = 2597, - label = "C2H3S2 + CH2S2 <=> C2H4S2 + CHS2", + index = 2588, + label = "C2H3S2 + CH2S2-2 <=> C2H4S2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0186,'cm^3/(mol*s)'), n=4.34, Ea=(198.447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36643,8 +36510,8 @@ ) entry( - index = 2598, - label = "C3H5S2 + CH2S2 <=> C3H6S2 + CHS2", + index = 2589, + label = "C3H5S2 + CH2S2-2 <=> C3H6S2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00579,'cm^3/(mol*s)'), n=4.34, Ea=(197.192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36656,8 +36523,8 @@ ) entry( - index = 2599, - label = "C3H3S-2 + CH2S2 <=> C3H4S-2 + CHS2", + index = 2590, + label = "C3H3S-2 + CH2S2-2 <=> C3H4S-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00397,'cm^3/(mol*s)'), n=4.34, Ea=(133.972,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36669,8 +36536,8 @@ ) entry( - index = 2600, - label = "C4H5S + CH2S2 <=> C4H6S + CHS2", + index = 2591, + label = "C4H5S + CH2S2-2 <=> C4H6S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00184,'cm^3/(mol*s)'), n=4.34, Ea=(129.369,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36682,8 +36549,8 @@ ) entry( - index = 2601, - label = "CH2S2 + C7H7S <=> C7H8S + CHS2", + index = 2592, + label = "CH2S2-2 + C7H7S <=> C7H8S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00188,'cm^3/(mol*s)'), n=4.34, Ea=(137.946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36695,8 +36562,8 @@ ) entry( - index = 2602, - label = "CH2S2 + C8H9S <=> C8H10S + CHS2", + index = 2593, + label = "CH2S2-2 + C8H9S <=> C8H10S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000795,'cm^3/(mol*s)'), n=4.34, Ea=(127.068,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36708,8 +36575,8 @@ ) entry( - index = 2603, - label = "CHS + CH2S2 <=> CH2S + CHS2", + index = 2594, + label = "CHS + CH2S2-2 <=> CH2S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0216,'cm^3/(mol*s)'), n=4.34, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36721,8 +36588,8 @@ ) entry( - index = 2604, - label = "CH2S2 + C2H3S <=> C2H4S + CHS2", + index = 2595, + label = "CH2S2-2 + C2H3S-4 <=> C2H4S-4 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0162,'cm^3/(mol*s)'), n=4.34, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36734,8 +36601,8 @@ ) entry( - index = 2605, - label = "CH2S2 + C3H3S-3 <=> C3H4S-3 + CHS2", + index = 2596, + label = "CH2S2-2 + C3H3S-3 <=> C3H4S-3 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00906,'cm^3/(mol*s)'), n=4.34, Ea=(86.7343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36747,8 +36614,8 @@ ) entry( - index = 2606, - label = "C3HS + CH2S2 <=> C3H2S + CHS2", + index = 2597, + label = "C3HS + CH2S2-2 <=> C3H2S + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0253,'cm^3/(mol*s)'), n=4.34, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36760,8 +36627,8 @@ ) entry( - index = 2607, - label = "H + C3H4S-3 <=> H2 + C3H3S-3", + index = 2598, + label = "H + C3H4S-6 <=> H2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.216,'cm^3/(mol*s)'), n=4.34, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36773,8 +36640,8 @@ ) entry( - index = 2608, - label = "CH3_r3 + C3H4S-3 <=> CH4b + C3H3S-3", + index = 2599, + label = "CH3-2 + C3H4S-6 <=> CH4-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00512,'cm^3/(mol*s)'), n=4.34, Ea=(21.6313,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36786,8 +36653,8 @@ ) entry( - index = 2609, - label = "C3H4S-3 + C2H5 <=> C2H6 + C3H3S-3", + index = 2600, + label = "C3H4S-6 + C2H5-2 <=> C2H6-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000879,'cm^3/(mol*s)'), n=4.34, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36799,8 +36666,8 @@ ) entry( - index = 2610, - label = "C3H4S-3 + C3H7 <=> C3H8 + C3H3S-3", + index = 2601, + label = "C3H4S-6 + C3H7-2 <=> C3H8-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00124,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36812,8 +36679,8 @@ ) entry( - index = 2611, - label = "C3H4S-3 + C4H9-4 <=> iC4H10b + C3H3S-3", + index = 2602, + label = "C3H4S-6 + C4H9-5 <=> C4H10-5 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00152,'cm^3/(mol*s)'), n=4.34, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36825,8 +36692,8 @@ ) entry( - index = 2612, - label = "C3H4S-3 + C3H5 <=> C3H6 + C3H3S-3", + index = 2603, + label = "C3H4S-6 + C3H5-3 <=> C3H6-3 + C3H3S-6", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0278,'cm^3/(mol*s)'), n=4.34, Ea=(67.3624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36838,8 +36705,8 @@ ) entry( - index = 2613, - label = "C4H7-4 + C3H4S-3 <=> C4H8-4 + C3H3S-3", + index = 2604, + label = "C4H7-10 + C3H4S-6 <=> C4H8-10 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0105,'cm^3/(mol*s)'), n=4.34, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36851,8 +36718,8 @@ ) entry( - index = 2614, - label = "C5H9-5 + C3H4S-3 <=> C5H10-3 + C3H3S-3", + index = 2605, + label = "C5H9-6 + C3H4S-6 <=> C5H10-6 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00199,'cm^3/(mol*s)'), n=4.34, Ea=(76.9856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36864,8 +36731,8 @@ ) entry( - index = 2615, - label = "C5H7-2 + C3H4S-3 <=> C5H8-2 + C3H3S-3", + index = 2606, + label = "C5H7-2 + C3H4S-6 <=> C5H8-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0418,'cm^3/(mol*s)'), n=4.34, Ea=(109.621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36877,8 +36744,8 @@ ) entry( - index = 2616, - label = "C6H9 + C3H4S-3 <=> C6H10 + C3H3S-3", + index = 2607, + label = "C6H9 + C3H4S-6 <=> C6H10 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00228,'cm^3/(mol*s)'), n=4.34, Ea=(111.294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36890,8 +36757,8 @@ ) entry( - index = 2617, - label = "C3H3-2 + C3H4S-3 <=> C3H4 + C3H3S-3", + index = 2608, + label = "C3H3-3 + C3H4S-6 <=> C3H4-3 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00707,'cm^3/(mol*s)'), n=4.34, Ea=(53.8899,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36903,8 +36770,8 @@ ) entry( - index = 2618, - label = "C4H5-5 + C3H4S-3 <=> C4H6 + C3H3S-3", + index = 2609, + label = "C4H5-6 + C3H4S-6 <=> C4H6-6 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00284,'cm^3/(mol*s)'), n=4.34, Ea=(58.1576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36916,8 +36783,8 @@ ) entry( - index = 2619, - label = "C5H7-3 + C3H4S-3 <=> C5H8 + C3H3S-3", + index = 2610, + label = "C5H7-3 + C3H4S-6 <=> C5H8-3 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0013,'cm^3/(mol*s)'), n=4.34, Ea=(61.9232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36929,8 +36796,8 @@ ) entry( - index = 2620, - label = "C5H3 + C3H4S-3 <=> C5H4 + C3H3S-3", + index = 2611, + label = "C5H3 + C3H4S-6 <=> C5H4 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0127,'cm^3/(mol*s)'), n=4.34, Ea=(85.3536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36942,8 +36809,8 @@ ) entry( - index = 2621, - label = "C6H5-2 + C3H4S-3 <=> C6H6-2 + C3H3S-3", + index = 2612, + label = "C6H5-3 + C3H4S-6 <=> C6H6-3 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000624,'cm^3/(mol*s)'), n=4.34, Ea=(89.956,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36955,8 +36822,8 @@ ) entry( - index = 2622, - label = "C3H4S-3 + C7H7 <=> C7H8 + C3H3S-3", + index = 2613, + label = "C3H4S-6 + C7H7-5 <=> C7H8-5 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0129,'cm^3/(mol*s)'), n=4.34, Ea=(58.576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36968,8 +36835,8 @@ ) entry( - index = 2623, - label = "C3H4S-3 + C8H9 <=> C8H10 + C3H3S-3", + index = 2614, + label = "C3H4S-6 + C8H9-2 <=> C8H10-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00661,'cm^3/(mol*s)'), n=4.34, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36981,8 +36848,8 @@ ) entry( - index = 2624, - label = "C3H4S-3 + C9H11 <=> C9H12 + C3H3S-3", + index = 2615, + label = "C3H4S-6 + C9H11-2 <=> C9H12-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000395,'cm^3/(mol*s)'), n=4.34, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -36994,8 +36861,8 @@ ) entry( - index = 2625, - label = "C2H3 + C3H4S-3 <=> C2H4 + C3H3S-3", + index = 2616, + label = "C2H3 + C3H4S-6 <=> C2H4 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00552,'cm^3/(mol*s)'), n=4.34, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37007,8 +36874,8 @@ ) entry( - index = 2626, - label = "C3H5-2 + C3H4S-3 <=> C3H6-2 + C3H3S-3", + index = 2617, + label = "C3H5-2 + C3H4S-6 <=> C3H6-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0038,'cm^3/(mol*s)'), n=4.34, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37020,8 +36887,8 @@ ) entry( - index = 2627, - label = "C4H3 + C2H4S <=> C4H4 + C2H3S", + index = 2618, + label = "C4H3-2 + C2H4S <=> C4H4-2 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000699,'cm^3/(mol*s)'), n=4.34, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37033,8 +36900,8 @@ ) entry( - index = 2628, - label = "C4H5-3 + C3H4S-3 <=> C4H6-4 + C3H3S-3", + index = 2619, + label = "C4H5-7 + C3H4S-6 <=> C4H6-7 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00255,'cm^3/(mol*s)'), n=4.34, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37046,8 +36913,8 @@ ) entry( - index = 2629, - label = "C3H4S-3 + C6H5 <=> C6H6 + C3H3S-3", + index = 2620, + label = "C3H4S-6 + C6H5-2 <=> C6H6-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00702,'cm^3/(mol*s)'), n=4.34, Ea=(-16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37059,8 +36926,8 @@ ) entry( - index = 2630, - label = "C3H3 + C3H4S-3 <=> C3H4-1 + C3H3S-3", + index = 2621, + label = "C3H3-4 + C3H4S-6 <=> C3H4-4 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0157,'cm^3/(mol*s)'), n=4.34, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37072,8 +36939,8 @@ ) entry( - index = 2631, - label = "CH3S-2 + C3H4S-3 <=> CH3SH_r2 + C3H3S-3", + index = 2622, + label = "CH3S-4 + C3H4S-6 <=> CH4S-4 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00205,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37085,8 +36952,8 @@ ) entry( - index = 2632, - label = "C2H5S + C3H4S-3 <=> C2H6S + C3H3S-3", + index = 2623, + label = "C2H5S + C3H4S-6 <=> C2H6S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.007,'cm^3/(mol*s)'), n=4.34, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37098,8 +36965,8 @@ ) entry( - index = 2633, - label = "C3H7S + C3H4S-3 <=> C3H8S + C3H3S-3", + index = 2624, + label = "C3H7S + C3H4S-6 <=> C3H8S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00495,'cm^3/(mol*s)'), n=4.34, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37111,8 +36978,8 @@ ) entry( - index = 2634, - label = "C2H3S-2 + C3H4S-3 <=> C2H4S-2 + C3H3S-3", + index = 2625, + label = "C2H3S-2 + C3H4S-6 <=> C2H4S-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0167,'cm^3/(mol*s)'), n=4.34, Ea=(82.0064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37124,8 +36991,8 @@ ) entry( - index = 2635, - label = "C3H4S-3 + C3H5S <=> C3H6S + C3H3S-3", + index = 2626, + label = "C3H4S-6 + C3H5S-3 <=> C3H6S-3 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0317,'cm^3/(mol*s)'), n=4.34, Ea=(94.14,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37137,8 +37004,8 @@ ) entry( - index = 2636, - label = "C4H7S + C3H4S-3 <=> C4H8S + C3H3S-3", + index = 2627, + label = "C4H7S + C3H4S-6 <=> C4H8S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0178,'cm^3/(mol*s)'), n=4.34, Ea=(104.6,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37150,8 +37017,8 @@ ) entry( - index = 2637, - label = "C2H3S-3 + C3H4S-3 <=> C2H4S-3 + C3H3S-3", + index = 2628, + label = "C2H3S-3 + C3H4S-6 <=> C2H4S-3 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0132,'cm^3/(mol*s)'), n=4.34, Ea=(3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37163,8 +37030,8 @@ ) entry( - index = 2638, - label = "C3H3S + C3H4S-3 <=> C3H4S + C3H3S-3", + index = 2629, + label = "C3H3S + C3H4S-6 <=> C3H4S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0221,'cm^3/(mol*s)'), n=4.34, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37176,8 +37043,8 @@ ) entry( - index = 2639, - label = "C3H5S-2 + C3H4S-3 <=> C3H6S-2 + C3H3S-3", + index = 2630, + label = "C3H5S-4 + C3H4S-6 <=> C3H6S-4 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0331,'cm^3/(mol*s)'), n=4.34, Ea=(82.4248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37189,8 +37056,8 @@ ) entry( - index = 2640, - label = "C4H7S-2 + C3H4S-3 <=> C4H8S-2 + C3H3S-3", + index = 2631, + label = "C4H7S-2 + C3H4S-6 <=> C4H8S-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00519,'cm^3/(mol*s)'), n=4.34, Ea=(82.4248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37202,8 +37069,8 @@ ) entry( - index = 2641, - label = "C2H3S2 + C3H4S-3 <=> C2H4S2 + C3H3S-3", + index = 2632, + label = "C2H3S2 + C3H4S-6 <=> C2H4S2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.26,'cm^3/(mol*s)'), n=4.34, Ea=(122.591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37215,8 +37082,8 @@ ) entry( - index = 2642, - label = "C3H5S2 + C3H4S-3 <=> C3H6S2 + C3H3S-3", + index = 2633, + label = "C3H5S2 + C3H4S-6 <=> C3H6S2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0843,'cm^3/(mol*s)'), n=4.34, Ea=(128.03,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37228,8 +37095,8 @@ ) entry( - index = 2643, - label = "C3H3S-2 + C3H4S-3 <=> C3H4S-2 + C3H3S-3", + index = 2634, + label = "C3H3S-2 + C3H4S-6 <=> C3H4S-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0168,'cm^3/(mol*s)'), n=4.34, Ea=(74.4752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37241,8 +37108,8 @@ ) entry( - index = 2644, - label = "C4H5S + C3H4S-3 <=> C4H6S + C3H3S-3", + index = 2635, + label = "C4H5S + C3H4S-6 <=> C4H6S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00806,'cm^3/(mol*s)'), n=4.34, Ea=(77.8224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37254,8 +37121,8 @@ ) entry( - index = 2645, - label = "C7H7S + C3H4S-3 <=> C7H8S + C3H3S-3", + index = 2636, + label = "C7H7S + C3H4S-6 <=> C7H8S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00793,'cm^3/(mol*s)'), n=4.34, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37267,8 +37134,8 @@ ) entry( - index = 2646, - label = "C8H9S + C3H4S-3 <=> C8H10S + C3H3S-3", + index = 2637, + label = "C8H9S + C3H4S-6 <=> C8H10S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00349,'cm^3/(mol*s)'), n=4.34, Ea=(69.4544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37280,8 +37147,8 @@ ) entry( - index = 2647, - label = "CHS + C3H4S-3 <=> CH2S + C3H3S-3", + index = 2638, + label = "CHS + C3H4S-6 <=> CH2S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.019,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37293,8 +37160,8 @@ ) entry( - index = 2648, - label = "C3H4S-3 + C2H3S <=> C2H4S + C3H3S-3", + index = 2639, + label = "C3H4S-6 + C2H3S-4 <=> C2H4S-4 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0148,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37306,8 +37173,8 @@ ) entry( - index = 2649, - label = "CHS2 + C3H4S-3 <=> CH2S2 + C3H3S-3", + index = 2640, + label = "CHS2 + C3H4S-6 <=> CH2S2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0227,'cm^3/(mol*s)'), n=4.34, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37319,8 +37186,8 @@ ) entry( - index = 2650, - label = "C3HS + C3H4S-3 <=> C3H2S + C3H3S-3", + index = 2641, + label = "C3HS + C3H4S-6 <=> C3H2S + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0223,'cm^3/(mol*s)'), n=4.34, Ea=(69.036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37332,8 +37199,8 @@ ) entry( - index = 2651, - label = "H + C3H2S <=> H2 + C3HS", + index = 2642, + label = "H + C3H2S-2 <=> H2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.26,'cm^3/(mol*s)'), n=4.34, Ea=(85.7302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37345,8 +37212,8 @@ ) entry( - index = 2652, - label = "C3H2S + CH3_r3 <=> CH4b + C3HS", + index = 2643, + label = "C3H2S-2 + CH3-2 <=> CH4-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00615,'cm^3/(mol*s)'), n=4.34, Ea=(147.193,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37358,8 +37225,8 @@ ) entry( - index = 2653, - label = "C3H2S + C2H5 <=> C2H6 + C3HS", + index = 2644, + label = "C3H2S-2 + C2H5-2 <=> C2H6-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00106,'cm^3/(mol*s)'), n=4.34, Ea=(130.499,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37371,8 +37238,8 @@ ) entry( - index = 2654, - label = "C3H2S + C3H7 <=> C3H8 + C3HS", + index = 2645, + label = "C3H2S-2 + C3H7-2 <=> C3H8-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00149,'cm^3/(mol*s)'), n=4.34, Ea=(119.537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37384,8 +37251,8 @@ ) entry( - index = 2655, - label = "C3H2S + C4H9-4 <=> iC4H10b + C3HS", + index = 2646, + label = "C3H2S-2 + C4H9-5 <=> C4H10-5 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00183,'cm^3/(mol*s)'), n=4.34, Ea=(115.018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37397,8 +37264,8 @@ ) entry( - index = 2656, - label = "C3H2S + C3H5 <=> C3H6 + C3HS", + index = 2647, + label = "C3H2S-2 + C3H5-3 <=> C3H6-3 + C3HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.0334,'cm^3/(mol*s)'), n=4.34, Ea=(184.473,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37410,8 +37277,8 @@ ) entry( - index = 2657, - label = "C3H2S + C4H7-4 <=> C4H8-4 + C3HS", + index = 2648, + label = "C3H2S-2 + C4H7-10 <=> C4H8-10 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0126,'cm^3/(mol*s)'), n=4.34, Ea=(172.59,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37423,8 +37290,8 @@ ) entry( - index = 2658, - label = "C3H2S + C5H9-5 <=> C5H10-3 + C3HS", + index = 2649, + label = "C3H2S-2 + C5H9-6 <=> C5H10-6 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00239,'cm^3/(mol*s)'), n=4.34, Ea=(168.071,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37436,8 +37303,8 @@ ) entry( - index = 2659, - label = "C3H2S + C5H7-2 <=> C5H8-2 + C3HS", + index = 2650, + label = "C3H2S-2 + C5H7-2 <=> C5H8-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0502,'cm^3/(mol*s)'), n=4.34, Ea=(210.79,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37449,8 +37316,8 @@ ) entry( - index = 2660, - label = "C3H2S + C6H9 <=> C6H10 + C3HS", + index = 2651, + label = "C3H2S-2 + C6H9 <=> C6H10 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00275,'cm^3/(mol*s)'), n=4.34, Ea=(111.671,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37462,8 +37329,8 @@ ) entry( - index = 2661, - label = "C3H3-2 + C3H2S <=> C3H4 + C3HS", + index = 2652, + label = "C3H3-3 + C3H2S-2 <=> C3H4-3 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0085,'cm^3/(mol*s)'), n=4.34, Ea=(179.452,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37475,8 +37342,8 @@ ) entry( - index = 2662, - label = "C3H2S + C4H5-5 <=> C4H6 + C3HS", + index = 2653, + label = "C3H2S-2 + C4H5-6 <=> C4H6-6 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00341,'cm^3/(mol*s)'), n=4.34, Ea=(166.607,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37488,8 +37355,8 @@ ) entry( - index = 2663, - label = "C5H7-3 + C3H2S <=> C5H8 + C3HS", + index = 2654, + label = "C5H7-3 + C3H2S-2 <=> C5H8-3 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00157,'cm^3/(mol*s)'), n=4.34, Ea=(164.473,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37501,8 +37368,8 @@ ) entry( - index = 2664, - label = "C5H3 + C3H2S <=> C5H4 + C3HS", + index = 2655, + label = "C5H3 + C3H2S-2 <=> C5H4 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0153,'cm^3/(mol*s)'), n=4.34, Ea=(102.341,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37514,8 +37381,8 @@ ) entry( - index = 2665, - label = "C6H5-2 + C3H2S <=> C6H6-2 + C3HS", + index = 2656, + label = "C6H5-3 + C3H2S-2 <=> C6H6-3 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00075,'cm^3/(mol*s)'), n=4.34, Ea=(99.8721,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37527,8 +37394,8 @@ ) entry( - index = 2666, - label = "C3H2S + C7H7 <=> C7H8 + C3HS", + index = 2657, + label = "C3H2S-2 + C7H7-5 <=> C7H8-5 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0155,'cm^3/(mol*s)'), n=4.34, Ea=(173.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37540,8 +37407,8 @@ ) entry( - index = 2667, - label = "C3H2S + C8H9 <=> C8H10 + C3HS", + index = 2658, + label = "C3H2S-2 + C8H9-2 <=> C8H10-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00794,'cm^3/(mol*s)'), n=4.34, Ea=(162.699,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37553,8 +37420,8 @@ ) entry( - index = 2668, - label = "C3H2S + C9H11 <=> C9H12 + C3HS", + index = 2659, + label = "C3H2S-2 + C9H11-2 <=> C9H12-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000475,'cm^3/(mol*s)'), n=4.34, Ea=(164.306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37566,8 +37433,8 @@ ) entry( - index = 2669, - label = "C3H2S + C2H3 <=> C2H4 + C3HS", + index = 2660, + label = "C3H2S-2 + C2H3 <=> C2H4 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00663,'cm^3/(mol*s)'), n=4.34, Ea=(-8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37579,8 +37446,8 @@ ) entry( - index = 2670, - label = "C3H2S + C3H5-2 <=> C3H6-2 + C3HS", + index = 2661, + label = "C3H2S-2 + C3H5-2 <=> C3H6-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00457,'cm^3/(mol*s)'), n=4.34, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37592,8 +37459,8 @@ ) entry( - index = 2671, - label = "C3H2S + C4H5-3 <=> C4H6-4 + C3HS", + index = 2662, + label = "C3H2S-2 + C4H5-7 <=> C4H6-7 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00306,'cm^3/(mol*s)'), n=4.34, Ea=(106.064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37605,8 +37472,8 @@ ) entry( - index = 2672, - label = "C4H3 + CH2S2 <=> C4H4 + CHS2", + index = 2663, + label = "C4H3-2 + CH2S2-2 <=> C4H4-2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00068,'cm^3/(mol*s)'), n=4.34, Ea=(28.7441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37618,8 +37485,8 @@ ) entry( - index = 2673, - label = "C3H2S + C6H5 <=> C6H6 + C3HS", + index = 2664, + label = "C3H2S-2 + C6H5-2 <=> C6H6-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00844,'cm^3/(mol*s)'), n=4.34, Ea=(-19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37631,8 +37498,8 @@ ) entry( - index = 2674, - label = "C3H2S + C3H3 <=> C3H4-1 + C3HS", + index = 2665, + label = "C3H2S-2 + C3H3-4 <=> C3H4-4 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0189,'cm^3/(mol*s)'), n=4.34, Ea=(153.427,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37644,8 +37511,8 @@ ) entry( - index = 2675, - label = "C3H2S + CH3S-2 <=> CH3SH_r2 + C3HS", + index = 2666, + label = "C3H2S-2 + CH3S-4 <=> CH4S-4 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00246,'cm^3/(mol*s)'), n=4.34, Ea=(154.808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37657,8 +37524,8 @@ ) entry( - index = 2676, - label = "C3H2S + C2H5S <=> C2H6S + C3HS", + index = 2667, + label = "C3H2S-2 + C2H5S <=> C2H6S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00841,'cm^3/(mol*s)'), n=4.34, Ea=(142.925,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37670,8 +37537,8 @@ ) entry( - index = 2677, - label = "C3H2S + C3H7S <=> C3H8S + C3HS", + index = 2668, + label = "C3H2S-2 + C3H7S <=> C3H8S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00595,'cm^3/(mol*s)'), n=4.34, Ea=(132.842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37683,8 +37550,8 @@ ) entry( - index = 2678, - label = "C3H2S + C2H3S-2 <=> C2H4S-2 + C3HS", + index = 2669, + label = "C3H2S-2 + C2H3S-2 <=> C2H4S-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0201,'cm^3/(mol*s)'), n=4.34, Ea=(130.708,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37696,8 +37563,8 @@ ) entry( - index = 2679, - label = "C3H2S + C3H5S <=> C3H6S + C3HS", + index = 2670, + label = "C3H2S-2 + C3H5S-3 <=> C3H6S-3 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0381,'cm^3/(mol*s)'), n=4.34, Ea=(119.37,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37709,8 +37576,8 @@ ) entry( - index = 2680, - label = "C3H2S + C4H7S <=> C4H8S + C3HS", + index = 2671, + label = "C3H2S-2 + C4H7S <=> C4H8S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0214,'cm^3/(mol*s)'), n=4.34, Ea=(110.332,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37722,8 +37589,8 @@ ) entry( - index = 2681, - label = "C2H3S-3 + C3H2S <=> C2H4S-3 + C3HS", + index = 2672, + label = "C2H3S-3 + C3H2S-2 <=> C2H4S-3 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0158,'cm^3/(mol*s)'), n=4.34, Ea=(76.6927,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37735,8 +37602,8 @@ ) entry( - index = 2682, - label = "C3H2S + C3H3S <=> C3H4S + C3HS", + index = 2673, + label = "C3H2S-2 + C3H3S <=> C3H4S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0265,'cm^3/(mol*s)'), n=4.34, Ea=(58.827,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37748,8 +37615,8 @@ ) entry( - index = 2683, - label = "C3H2S + C3H5S-2 <=> C3H6S-2 + C3HS", + index = 2674, + label = "C3H2S-2 + C3H5S-4 <=> C3H6S-4 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0398,'cm^3/(mol*s)'), n=4.34, Ea=(189.284,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37761,8 +37628,8 @@ ) entry( - index = 2684, - label = "C3H2S + C4H7S-2 <=> C4H8S-2 + C3HS", + index = 2675, + label = "C3H2S-2 + C4H7S-2 <=> C4H8S-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00623,'cm^3/(mol*s)'), n=4.34, Ea=(184.807,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37774,8 +37641,8 @@ ) entry( - index = 2685, - label = "C3H2S + C2H3S2 <=> C2H4S2 + C3HS", + index = 2676, + label = "C3H2S-2 + C2H3S2 <=> C2H4S2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.313,'cm^3/(mol*s)'), n=4.34, Ea=(237.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37787,8 +37654,8 @@ ) entry( - index = 2686, - label = "C3H2S + C3H5S2 <=> C3H6S2 + C3HS", + index = 2677, + label = "C3H2S-2 + C3H5S2 <=> C3H6S2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.101,'cm^3/(mol*s)'), n=4.34, Ea=(236.019,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37800,8 +37667,8 @@ ) entry( - index = 2687, - label = "C3H3S-2 + C3H2S <=> C3H4S-2 + C3HS", + index = 2678, + label = "C3H3S-2 + C3H2S-2 <=> C3H4S-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0202,'cm^3/(mol*s)'), n=4.34, Ea=(172.799,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37813,8 +37680,8 @@ ) entry( - index = 2688, - label = "C4H5S + C3H2S <=> C4H6S + C3HS", + index = 2679, + label = "C4H5S + C3H2S-2 <=> C4H6S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00968,'cm^3/(mol*s)'), n=4.34, Ea=(168.197,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37826,8 +37693,8 @@ ) entry( - index = 2689, - label = "C3H2S + C7H7S <=> C7H8S + C3HS", + index = 2680, + label = "C3H2S-2 + C7H7S <=> C7H8S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00953,'cm^3/(mol*s)'), n=4.34, Ea=(176.774,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37839,8 +37706,8 @@ ) entry( - index = 2690, - label = "C3H2S + C8H9S <=> C8H10S + C3HS", + index = 2681, + label = "C3H2S-2 + C8H9S <=> C8H10S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00419,'cm^3/(mol*s)'), n=4.34, Ea=(165.896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37852,8 +37719,8 @@ ) entry( - index = 2691, - label = "CHS + C3H2S <=> CH2S + C3HS", + index = 2682, + label = "CHS + C3H2S-2 <=> CH2S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0229,'cm^3/(mol*s)'), n=4.34, Ea=(49.4967,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37865,8 +37732,8 @@ ) entry( - index = 2692, - label = "C3H2S + C2H3S <=> C2H4S + C3HS", + index = 2683, + label = "C3H2S-2 + C2H3S-4 <=> C2H4S-4 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0178,'cm^3/(mol*s)'), n=4.34, Ea=(53.0113,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37878,8 +37745,8 @@ ) entry( - index = 2693, - label = "C3H2S + CHS2 <=> CH2S2 + C3HS", + index = 2684, + label = "C3H2S-2 + CHS2 <=> CH2S2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0272,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37891,8 +37758,8 @@ ) entry( - index = 2694, - label = "C3H2S + C3H3S-3 <=> C3H4S-3 + C3HS", + index = 2685, + label = "C3H2S-2 + C3H3S-3 <=> C3H4S-3 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00958,'cm^3/(mol*s)'), n=4.34, Ea=(125.562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37904,8 +37771,8 @@ ) entry( - index = 2695, - label = "C4H3 + C3H4S-3 <=> C4H4 + C3H3S-3", + index = 2686, + label = "C4H3-2 + C3H4S-6 <=> C4H4-2 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000598,'cm^3/(mol*s)'), n=4.34, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37917,8 +37784,8 @@ ) entry( - index = 2696, - label = "H + H2S_r <=> H2 + SH", + index = 2687, + label = "H + H2S-2 <=> H2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(26000,'cm^3/(mol*s)'), n=3.06, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37930,8 +37797,8 @@ ) entry( - index = 2697, - label = "H2S_r + CH3_r3 <=> CH4b + SH", + index = 2688, + label = "H2S-2 + CH3-2 <=> CH4-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(470,'cm^3/(mol*s)'), n=3.06, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37943,8 +37810,8 @@ ) entry( - index = 2698, - label = "H2S_r + C2H5 <=> C2H6 + SH", + index = 2689, + label = "H2S-2 + C2H5-2 <=> C2H6-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(33.4,'cm^3/(mol*s)'), n=3.06, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37956,8 +37823,8 @@ ) entry( - index = 2699, - label = "C4H3 + C3H2S <=> C4H4 + C3HS", + index = 2690, + label = "C4H3-2 + C3H2S-2 <=> C4H4-2 + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000719,'cm^3/(mol*s)'), n=4.34, Ea=(67.5716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37969,8 +37836,8 @@ ) entry( - index = 2700, - label = "H2S_r + C3H7 <=> C3H8 + SH", + index = 2691, + label = "H2S-2 + C3H7-2 <=> C3H8-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(67.6,'cm^3/(mol*s)'), n=3.06, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37982,8 +37849,8 @@ ) entry( - index = 2701, - label = "H2S_r + C4H9-4 <=> iC4H10b + SH", + index = 2692, + label = "H2S-2 + C4H9-5 <=> C4H10-5 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=3.06, Ea=(-12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -37995,8 +37862,8 @@ ) entry( - index = 2702, - label = "H2S_r + C2H3 <=> C2H4 + SH", + index = 2693, + label = "H2S-2 + C2H3 <=> C2H4 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(620,'cm^3/(mol*s)'), n=3.06, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38008,8 +37875,8 @@ ) entry( - index = 2703, - label = "H2S_r + C3H5-2 <=> C3H6-2 + SH", + index = 2694, + label = "H2S-2 + C3H5-2 <=> C3H6-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=3.06, Ea=(-12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38021,8 +37888,8 @@ ) entry( - index = 2704, - label = "H2S_r + C4H5-3 <=> C4H6-4 + SH", + index = 2695, + label = "H2S-2 + C4H5-7 <=> C4H6-7 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(220,'cm^3/(mol*s)'), n=3.06, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38034,8 +37901,8 @@ ) entry( - index = 2705, - label = "H2S_r + C4H3 <=> C4H4 + SH", + index = 2696, + label = "H2S-2 + C4H3-2 <=> C4H4-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(38.6,'cm^3/(mol*s)'), n=3.06, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38047,8 +37914,8 @@ ) entry( - index = 2706, - label = "H2S_r + C3H5 <=> C3H6 + SH", + index = 2697, + label = "H2S-2 + C3H5-3 <=> C3H6-3 + HS-2", degeneracy = 4.0, kinetics = Arrhenius(A=(484,'cm^3/(mol*s)'), n=3.06, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38060,8 +37927,8 @@ ) entry( - index = 2707, - label = "H2S_r + C4H7-4 <=> C4H8-4 + SH", + index = 2698, + label = "H2S-2 + C4H7-10 <=> C4H8-10 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(232,'cm^3/(mol*s)'), n=3.06, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38073,8 +37940,8 @@ ) entry( - index = 2708, - label = "H2S_r + C5H9-5 <=> C5H10-3 + SH", + index = 2699, + label = "H2S-2 + C5H9-6 <=> C5H10-6 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(40.2,'cm^3/(mol*s)'), n=3.06, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38086,8 +37953,8 @@ ) entry( - index = 2709, - label = "H2S_r + C5H7-2 <=> C5H8-2 + SH", + index = 2700, + label = "H2S-2 + C5H7-2 <=> C5H8-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(318,'cm^3/(mol*s)'), n=3.06, Ea=(66.5256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38099,8 +37966,8 @@ ) entry( - index = 2710, - label = "H2S_r + C6H9 <=> C6H10 + SH", + index = 2701, + label = "H2S-2 + C6H9 <=> C6H10 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(17.04,'cm^3/(mol*s)'), n=3.06, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38112,8 +37979,8 @@ ) entry( - index = 2711, - label = "H2S_r + C3H3-2 <=> C3H4 + SH", + index = 2702, + label = "H2S-2 + C3H3-3 <=> C3H4-3 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(226,'cm^3/(mol*s)'), n=3.06, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38125,8 +37992,8 @@ ) entry( - index = 2712, - label = "H2S_r + C4H5-5 <=> C4H6 + SH", + index = 2703, + label = "H2S-2 + C4H5-6 <=> C4H6-6 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(79.4,'cm^3/(mol*s)'), n=3.06, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38138,8 +38005,8 @@ ) entry( - index = 2713, - label = "H2S_r + C5H7-3 <=> C5H8 + SH", + index = 2704, + label = "H2S-2 + C5H7-3 <=> C5H8-3 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(25.6,'cm^3/(mol*s)'), n=3.06, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38151,8 +38018,8 @@ ) entry( - index = 2714, - label = "H2S_r + C5H3 <=> C5H4 + SH", + index = 2705, + label = "H2S-2 + C5H3 <=> C5H4 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(79.8,'cm^3/(mol*s)'), n=3.06, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38164,8 +38031,8 @@ ) entry( - index = 2715, - label = "H2S_r + C6H5-2 <=> C6H6-2 + SH", + index = 2706, + label = "H2S-2 + C6H5-3 <=> C6H6-3 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(6.28,'cm^3/(mol*s)'), n=3.06, Ea=(51.8816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38177,8 +38044,8 @@ ) entry( - index = 2716, - label = "H2S_r + C6H5 <=> C6H6 + SH", + index = 2707, + label = "H2S-2 + C6H5-2 <=> C6H6-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(866,'cm^3/(mol*s)'), n=3.06, Ea=(-13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38190,8 +38057,8 @@ ) entry( - index = 2717, - label = "H2S_r + C7H7 <=> C7H8 + SH", + index = 2708, + label = "H2S-2 + C7H7-5 <=> C7H8-5 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(167.6,'cm^3/(mol*s)'), n=3.06, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38203,8 +38070,8 @@ ) entry( - index = 2718, - label = "H2S_r + C8H9 <=> C8H10 + SH", + index = 2709, + label = "H2S-2 + C8H9-2 <=> C8H10-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(25.8,'cm^3/(mol*s)'), n=3.06, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38216,8 +38083,8 @@ ) entry( - index = 2719, - label = "H2S_r + C9H11 <=> C9H12 + SH", + index = 2710, + label = "H2S-2 + C9H11-2 <=> C9H12-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(10.78,'cm^3/(mol*s)'), n=3.06, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38229,8 +38096,8 @@ ) entry( - index = 2720, - label = "H2S_r + CH3S-2 <=> CH3SH_r2 + SH", + index = 2711, + label = "H2S-2 + CH3S-4 <=> CH4S-4 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(59,'cm^3/(mol*s)'), n=3.06, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38242,8 +38109,8 @@ ) entry( - index = 2721, - label = "H2S_r + C2H5S <=> C2H6S + SH", + index = 2712, + label = "H2S-2 + C2H5S <=> C2H6S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(127,'cm^3/(mol*s)'), n=3.06, Ea=(-0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38255,8 +38122,8 @@ ) entry( - index = 2722, - label = "H2S_r + C3H7S <=> C3H8S + SH", + index = 2713, + label = "H2S-2 + C3H7S <=> C3H8S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(39.6,'cm^3/(mol*s)'), n=3.06, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38268,8 +38135,8 @@ ) entry( - index = 2723, - label = "H2S_r + C2H3S-2 <=> C2H4S-2 + SH", + index = 2714, + label = "H2S-2 + C2H3S-2 <=> C2H4S-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(118.8,'cm^3/(mol*s)'), n=3.06, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38281,8 +38148,8 @@ ) entry( - index = 2724, - label = "H2S_r + C3H5S <=> C3H6S + SH", + index = 2715, + label = "H2S-2 + C3H5S-3 <=> C3H6S-3 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(95.2,'cm^3/(mol*s)'), n=3.06, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38294,8 +38161,8 @@ ) entry( - index = 2725, - label = "H2S_r + C4H7S <=> C4H8S + SH", + index = 2716, + label = "H2S-2 + C4H7S <=> C4H8S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(62.6,'cm^3/(mol*s)'), n=3.06, Ea=(63.1784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38307,8 +38174,8 @@ ) entry( - index = 2726, - label = "H2S_r + C2H3S-3 <=> C2H4S-3 + SH", + index = 2717, + label = "H2S-2 + C2H3S-3 <=> C2H4S-3 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(362,'cm^3/(mol*s)'), n=3.06, Ea=(-9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38320,8 +38187,8 @@ ) entry( - index = 2727, - label = "H2S_r + C3H3S <=> C3H4S + SH", + index = 2718, + label = "H2S-2 + C3H3S <=> C3H4S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(230,'cm^3/(mol*s)'), n=3.06, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38333,8 +38200,8 @@ ) entry( - index = 2728, - label = "H2S_r + C3H5S-2 <=> C3H6S-2 + SH", + index = 2719, + label = "H2S-2 + C3H5S-4 <=> C3H6S-4 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(121.6,'cm^3/(mol*s)'), n=3.06, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38346,8 +38213,8 @@ ) entry( - index = 2729, - label = "H2S_r + C4H7S-2 <=> C4H8S-2 + SH", + index = 2720, + label = "H2S-2 + C4H7S-2 <=> C4H8S-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(28.6,'cm^3/(mol*s)'), n=3.06, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38359,8 +38226,8 @@ ) entry( - index = 2730, - label = "H2S_r + C2H3S2 <=> C2H4S2 + SH", + index = 2721, + label = "H2S-2 + C2H3S2 <=> C2H4S2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(260,'cm^3/(mol*s)'), n=3.06, Ea=(81.588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38372,8 +38239,8 @@ ) entry( - index = 2731, - label = "H2S_r + C3H5S2 <=> C3H6S2 + SH", + index = 2722, + label = "H2S-2 + C3H5S2 <=> C3H6S2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(102.6,'cm^3/(mol*s)'), n=3.06, Ea=(85.772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38385,8 +38252,8 @@ ) entry( - index = 2732, - label = "H2S_r + C3H3S-2 <=> C3H4S-2 + SH", + index = 2723, + label = "H2S-2 + C3H3S-2 <=> C3H4S-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(182.8,'cm^3/(mol*s)'), n=3.06, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38398,8 +38265,8 @@ ) entry( - index = 2733, - label = "H2S_r + C4H5S <=> C4H6S + SH", + index = 2724, + label = "H2S-2 + C4H5S <=> C4H6S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(59.8,'cm^3/(mol*s)'), n=3.06, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38411,8 +38278,8 @@ ) entry( - index = 2734, - label = "H2S_r + C7H7S <=> C7H8S + SH", + index = 2725, + label = "H2S-2 + C7H7S <=> C7H8S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(82.2,'cm^3/(mol*s)'), n=3.06, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38424,8 +38291,8 @@ ) entry( - index = 2735, - label = "H2S_r + C8H9S <=> C8H10S + SH", + index = 2726, + label = "H2S-2 + C8H9S <=> C8H10S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(21.8,'cm^3/(mol*s)'), n=3.06, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38437,8 +38304,8 @@ ) entry( - index = 2736, - label = "CHS + H2S_r <=> CH2S + SH", + index = 2727, + label = "CHS + H2S-2 <=> CH2S + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1288,'cm^3/(mol*s)'), n=3.06, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38450,8 +38317,8 @@ ) entry( - index = 2737, - label = "H2S_r + C2H3S <=> C2H4S + SH", + index = 2728, + label = "H2S-2 + C2H3S-4 <=> C2H4S-4 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(796,'cm^3/(mol*s)'), n=3.06, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38463,8 +38330,8 @@ ) entry( - index = 2738, - label = "H2S_r + CHS2 <=> CH2S2 + SH", + index = 2729, + label = "H2S-2 + CHS2 <=> CH2S2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(480,'cm^3/(mol*s)'), n=3.06, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38476,8 +38343,8 @@ ) entry( - index = 2739, - label = "H + CH3SH_r1 <=> H2 + CH3S", + index = 2730, + label = "H + CH4S <=> H2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(17500,'cm^3/(mol*s)'), n=3.06, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38489,8 +38356,8 @@ ) entry( - index = 2740, - label = "CH3SH_r1 + CH3_r3 <=> CH4b + CH3S", + index = 2731, + label = "CH4S + CH3-2 <=> CH4-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(316,'cm^3/(mol*s)'), n=3.06, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38502,8 +38369,8 @@ ) entry( - index = 2741, - label = "CH3SH_r1 + C2H5 <=> C2H6 + CH3S", + index = 2732, + label = "CH4S + C2H5-2 <=> C2H6-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(20.8,'cm^3/(mol*s)'), n=3.06, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38515,8 +38382,8 @@ ) entry( - index = 2742, - label = "CH3SH_r1 + C3H7 <=> C3H8 + CH3S", + index = 2733, + label = "CH4S + C3H7-2 <=> C3H8-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(39.1,'cm^3/(mol*s)'), n=3.06, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38528,8 +38395,8 @@ ) entry( - index = 2743, - label = "CH3SH_r1 + C4H9-4 <=> iC4H10b + CH3S", + index = 2734, + label = "CH4S + C4H9-5 <=> C4H10-5 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(138,'cm^3/(mol*s)'), n=3.06, Ea=(-13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38541,8 +38408,8 @@ ) entry( - index = 2744, - label = "C2H3 + CH3SH_r1 <=> C2H4 + CH3S", + index = 2735, + label = "C2H3 + CH4S <=> C2H4 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(417,'cm^3/(mol*s)'), n=3.06, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38554,8 +38421,8 @@ ) entry( - index = 2745, - label = "CH3SH_r1 + C3H5-2 <=> C3H6-2 + CH3S", + index = 2736, + label = "CH4S + C3H5-2 <=> C3H6-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(161,'cm^3/(mol*s)'), n=3.06, Ea=(-12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38567,8 +38434,8 @@ ) entry( - index = 2746, - label = "CH3SH_r1 + C4H5-3 <=> C4H6-4 + CH3S", + index = 2737, + label = "CH4S + C4H5-7 <=> C4H6-7 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(148,'cm^3/(mol*s)'), n=3.06, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38580,8 +38447,8 @@ ) entry( - index = 2747, - label = "C4H3 + CH3SH_r1 <=> C4H4 + CH3S", + index = 2738, + label = "C4H3-2 + CH4S <=> C4H4-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(26,'cm^3/(mol*s)'), n=3.06, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38593,8 +38460,8 @@ ) entry( - index = 2748, - label = "CH3SH_r1 + C3H5 <=> C3H6 + CH3S", + index = 2739, + label = "CH4S + C3H5-3 <=> C3H6-3 + CH3S", degeneracy = 2.0, kinetics = Arrhenius(A=(434,'cm^3/(mol*s)'), n=3.06, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38606,8 +38473,8 @@ ) entry( - index = 2749, - label = "CH3SH_r1 + C4H7-4 <=> C4H8-4 + CH3S", + index = 2740, + label = "CH4S + C4H7-10 <=> C4H8-10 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(193,'cm^3/(mol*s)'), n=3.06, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38619,8 +38486,8 @@ ) entry( - index = 2750, - label = "CH3SH_r1 + C5H9-5 <=> C5H10-3 + CH3S", + index = 2741, + label = "CH4S + C5H9-6 <=> C5H10-6 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(31,'cm^3/(mol*s)'), n=3.06, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38632,8 +38499,8 @@ ) entry( - index = 2751, - label = "CH3SH_r1 + C5H7-2 <=> C5H8-2 + CH3S", + index = 2742, + label = "CH4S + C5H7-2 <=> C5H8-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(381,'cm^3/(mol*s)'), n=3.06, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38645,8 +38512,8 @@ ) entry( - index = 2752, - label = "CH3SH_r1 + C6H9 <=> C6H10 + CH3S", + index = 2743, + label = "CH4S + C6H9 <=> C6H10 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(18.9,'cm^3/(mol*s)'), n=3.06, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38658,8 +38525,8 @@ ) entry( - index = 2753, - label = "C3H3-2 + CH3SH_r1 <=> C3H4 + CH3S", + index = 2744, + label = "C3H3-3 + CH4S <=> C3H4-3 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(189,'cm^3/(mol*s)'), n=3.06, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38671,8 +38538,8 @@ ) entry( - index = 2754, - label = "C4H5-5 + CH3SH_r1 <=> C4H6 + CH3S", + index = 2745, + label = "C4H5-6 + CH4S <=> C4H6-6 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(61.4,'cm^3/(mol*s)'), n=3.06, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38684,8 +38551,8 @@ ) entry( - index = 2755, - label = "C5H7-3 + CH3SH_r1 <=> C5H8 + CH3S", + index = 2746, + label = "C5H7-3 + CH4S <=> C5H8-3 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(18.4,'cm^3/(mol*s)'), n=3.06, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38697,8 +38564,8 @@ ) entry( - index = 2756, - label = "C5H3 + CH3SH_r1 <=> C5H4 + CH3S", + index = 2747, + label = "C5H3 + CH4S <=> C5H4 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(82.4,'cm^3/(mol*s)'), n=3.06, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38710,8 +38577,8 @@ ) entry( - index = 2757, - label = "C6H5-2 + CH3SH_r1 <=> C6H6-2 + CH3S", + index = 2748, + label = "C6H5-3 + CH4S <=> C6H6-3 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(6.02,'cm^3/(mol*s)'), n=3.06, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38723,8 +38590,8 @@ ) entry( - index = 2758, - label = "CH3SH_r1 + C6H5 <=> C6H6 + CH3S", + index = 2749, + label = "CH4S + C6H5-2 <=> C6H6-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(583,'cm^3/(mol*s)'), n=3.06, Ea=(-15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38736,8 +38603,8 @@ ) entry( - index = 2759, - label = "CH3SH_r1 + C7H7 <=> C7H8 + CH3S", + index = 2750, + label = "CH4S + C7H7-5 <=> C7H8-5 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(150,'cm^3/(mol*s)'), n=3.06, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38749,8 +38616,8 @@ ) entry( - index = 2760, - label = "CH3SH_r1 + C8H9 <=> C8H10 + CH3S", + index = 2751, + label = "CH4S + C8H9-2 <=> C8H10-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(21.5,'cm^3/(mol*s)'), n=3.06, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38762,8 +38629,8 @@ ) entry( - index = 2761, - label = "CH3SH_r1 + C9H11 <=> C9H12 + CH3S", + index = 2752, + label = "CH4S + C9H11-2 <=> C9H12-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(8.33,'cm^3/(mol*s)'), n=3.06, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38775,8 +38642,8 @@ ) entry( - index = 2762, - label = "CH3S-2 + CH3SH_r1 <=> CH3SH_r2 + CH3S", + index = 2753, + label = "CH3S-4 + CH4S <=> CH4S-4 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(42.9,'cm^3/(mol*s)'), n=3.06, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38788,8 +38655,8 @@ ) entry( - index = 2763, - label = "C2H5S + CH3SH_r1 <=> C2H6S + CH3S", + index = 2754, + label = "C2H5S + CH4S <=> C2H6S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(85.5,'cm^3/(mol*s)'), n=3.06, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38801,8 +38668,8 @@ ) entry( - index = 2764, - label = "C3H7S + CH3SH_r1 <=> C3H8S + CH3S", + index = 2755, + label = "C3H7S + CH4S <=> C3H8S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(24.8,'cm^3/(mol*s)'), n=3.06, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38814,8 +38681,8 @@ ) entry( - index = 2765, - label = "CH3SH_r1 + C2H3S-2 <=> C2H4S-2 + CH3S", + index = 2756, + label = "CH4S + C2H3S-2 <=> C2H4S-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(232,'cm^3/(mol*s)'), n=3.06, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38827,8 +38694,8 @@ ) entry( - index = 2766, - label = "CH3SH_r1 + C3H5S <=> C3H6S + CH3S", + index = 2757, + label = "CH4S + C3H5S-3 <=> C3H6S-3 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(172,'cm^3/(mol*s)'), n=3.06, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38840,8 +38707,8 @@ ) entry( - index = 2767, - label = "CH3SH_r1 + C4H7S <=> C4H8S + CH3S", + index = 2758, + label = "CH4S + C4H7S <=> C4H8S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=3.06, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38853,8 +38720,8 @@ ) entry( - index = 2768, - label = "C2H3S-3 + CH3SH_r1 <=> C2H4S-3 + CH3S", + index = 2759, + label = "C2H3S-3 + CH4S <=> C2H4S-3 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(263,'cm^3/(mol*s)'), n=3.06, Ea=(-12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38866,8 +38733,8 @@ ) entry( - index = 2769, - label = "CH3SH_r1 + C3H3S <=> C3H4S + CH3S", + index = 2760, + label = "CH4S + C3H3S <=> C3H4S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(155,'cm^3/(mol*s)'), n=3.06, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38879,8 +38746,8 @@ ) entry( - index = 2770, - label = "C3H5S-2 + CH3SH_r1 <=> C3H6S-2 + CH3S", + index = 2761, + label = "C3H5S-4 + CH4S <=> C3H6S-4 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(118,'cm^3/(mol*s)'), n=3.06, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38892,8 +38759,8 @@ ) entry( - index = 2771, - label = "C4H7S-2 + CH3SH_r1 <=> C4H8S-2 + CH3S", + index = 2762, + label = "C4H7S-2 + CH4S <=> C4H8S-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(25.8,'cm^3/(mol*s)'), n=3.06, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38905,8 +38772,8 @@ ) entry( - index = 2772, - label = "C2H3S2 + CH3SH_r1 <=> C2H4S2 + CH3S", + index = 2763, + label = "C2H3S2 + CH4S <=> C2H4S2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(549,'cm^3/(mol*s)'), n=3.06, Ea=(68.6176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38918,8 +38785,8 @@ ) entry( - index = 2773, - label = "C3H5S2 + CH3SH_r1 <=> C3H6S2 + CH3S", + index = 2764, + label = "C3H5S2 + CH4S <=> C3H6S2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(200,'cm^3/(mol*s)'), n=3.06, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38931,8 +38798,8 @@ ) entry( - index = 2774, - label = "C3H3S-2 + CH3SH_r1 <=> C3H4S-2 + CH3S", + index = 2765, + label = "C3H3S-2 + CH4S <=> C3H4S-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(164,'cm^3/(mol*s)'), n=3.06, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38944,8 +38811,8 @@ ) entry( - index = 2775, - label = "C4H5S + CH3SH_r1 <=> C4H6S + CH3S", + index = 2766, + label = "C4H5S + CH4S <=> C4H6S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(49.8,'cm^3/(mol*s)'), n=3.06, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38957,8 +38824,8 @@ ) entry( - index = 2776, - label = "C7H7S + CH3SH_r1 <=> C7H8S + CH3S", + index = 2767, + label = "C7H7S + CH4S <=> C7H8S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(79.6,'cm^3/(mol*s)'), n=3.06, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38970,8 +38837,8 @@ ) entry( - index = 2777, - label = "C8H9S + CH3SH_r1 <=> C8H10S + CH3S", + index = 2768, + label = "C8H9S + CH4S <=> C8H10S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(19.6,'cm^3/(mol*s)'), n=3.06, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38983,8 +38850,8 @@ ) entry( - index = 2778, - label = "CH3SH_r1 + C2H3S <=> C2H4S + CH3S", + index = 2769, + label = "CH4S + C2H3S-4 <=> C2H4S-4 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(497,'cm^3/(mol*s)'), n=3.06, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -38996,8 +38863,8 @@ ) entry( - index = 2779, - label = "CHS2 + CH3SH_r1 <=> CH2S2 + CH3S", + index = 2770, + label = "CHS2 + CH4S <=> CH2S2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=3.06, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39009,8 +38876,8 @@ ) entry( - index = 2780, - label = "H + C2H4S-4 <=> H2 + C2H3S-4", + index = 2771, + label = "H + C2H4S-7 <=> H2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(24000,'cm^3/(mol*s)'), n=3.06, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39022,8 +38889,8 @@ ) entry( - index = 2781, - label = "C2H4S-4 + CH3_r3 <=> CH4b + C2H3S-4", + index = 2772, + label = "C2H4S-7 + CH3-2 <=> CH4-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(433,'cm^3/(mol*s)'), n=3.06, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39035,8 +38902,8 @@ ) entry( - index = 2782, - label = "C2H4S-4 + C2H5 <=> C2H6 + C2H3S-4", + index = 2773, + label = "C2H4S-7 + C2H5-2 <=> C2H6-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(28.9,'cm^3/(mol*s)'), n=3.06, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39048,8 +38915,8 @@ ) entry( - index = 2783, - label = "C2H4S-4 + C3H7 <=> C3H8 + C2H3S-4", + index = 2774, + label = "C2H4S-7 + C3H7-2 <=> C3H8-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(54.9,'cm^3/(mol*s)'), n=3.06, Ea=(-12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39061,8 +38928,8 @@ ) entry( - index = 2784, - label = "C2H4S-4 + C4H9-4 <=> iC4H10b + C2H3S-4", + index = 2775, + label = "C2H4S-7 + C4H9-5 <=> C4H10-5 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(197,'cm^3/(mol*s)'), n=3.06, Ea=(-20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39074,8 +38941,8 @@ ) entry( - index = 2785, - label = "C2H4S-4 + C2H3 <=> C2H4 + C2H3S-4", + index = 2776, + label = "C2H4S-7 + C2H3 <=> C2H4 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(571,'cm^3/(mol*s)'), n=3.06, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39087,8 +38954,8 @@ ) entry( - index = 2786, - label = "C2H4S-4 + C3H5-2 <=> C3H6-2 + C2H3S-4", + index = 2777, + label = "C2H4S-7 + C3H5-2 <=> C3H6-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(224,'cm^3/(mol*s)'), n=3.06, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39100,8 +38967,8 @@ ) entry( - index = 2787, - label = "C2H4S-4 + C4H5-3 <=> C4H6-4 + C2H3S-4", + index = 2778, + label = "C2H4S-7 + C4H5-7 <=> C4H6-7 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(203,'cm^3/(mol*s)'), n=3.06, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39113,8 +38980,8 @@ ) entry( - index = 2788, - label = "C4H3 + C2H4S-4 <=> C4H4 + C2H3S-4", + index = 2779, + label = "C4H3-2 + C2H4S-7 <=> C4H4-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(35.7,'cm^3/(mol*s)'), n=3.06, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39126,8 +38993,8 @@ ) entry( - index = 2789, - label = "C2H4S-4 + C3H5 <=> C3H6 + C2H3S-4", + index = 2780, + label = "C2H4S-7 + C3H5-3 <=> C3H6-3 + C2H3S-7", degeneracy = 2.0, kinetics = Arrhenius(A=(340,'cm^3/(mol*s)'), n=3.06, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39139,8 +39006,8 @@ ) entry( - index = 2790, - label = "C2H4S-4 + C4H7-4 <=> C4H8-4 + C2H3S-4", + index = 2781, + label = "C2H4S-7 + C4H7-10 <=> C4H8-10 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(152,'cm^3/(mol*s)'), n=3.06, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39152,8 +39019,8 @@ ) entry( - index = 2791, - label = "C2H4S-4 + C5H9-5 <=> C5H10-3 + C2H3S-4", + index = 2782, + label = "C2H4S-7 + C5H9-6 <=> C5H10-6 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(24.8,'cm^3/(mol*s)'), n=3.06, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39165,8 +39032,8 @@ ) entry( - index = 2792, - label = "C2H4S-4 + C5H7-2 <=> C5H8-2 + C2H3S-4", + index = 2783, + label = "C2H4S-7 + C5H7-2 <=> C5H8-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(170,'cm^3/(mol*s)'), n=3.06, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39178,8 +39045,8 @@ ) entry( - index = 2793, - label = "C2H4S-4 + C6H9 <=> C6H10 + C2H3S-4", + index = 2784, + label = "C2H4S-7 + C6H9 <=> C6H10 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(8.52,'cm^3/(mol*s)'), n=3.06, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39191,8 +39058,8 @@ ) entry( - index = 2794, - label = "C3H3-2 + C2H4S-4 <=> C3H4 + C2H3S-4", + index = 2785, + label = "C3H3-3 + C2H4S-7 <=> C3H4-3 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(227,'cm^3/(mol*s)'), n=3.06, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39204,8 +39071,8 @@ ) entry( - index = 2795, - label = "C4H5-5 + C2H4S-4 <=> C4H6 + C2H3S-4", + index = 2786, + label = "C4H5-6 + C2H4S-7 <=> C4H6-6 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(74.6,'cm^3/(mol*s)'), n=3.06, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39217,8 +39084,8 @@ ) entry( - index = 2796, - label = "C5H7-3 + C2H4S-4 <=> C5H8 + C2H3S-4", + index = 2787, + label = "C5H7-3 + C2H4S-7 <=> C5H8-3 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(22.6,'cm^3/(mol*s)'), n=3.06, Ea=(5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39230,8 +39097,8 @@ ) entry( - index = 2797, - label = "C5H3 + C2H4S-4 <=> C5H4 + C2H3S-4", + index = 2788, + label = "C5H3 + C2H4S-7 <=> C5H4 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(86.7,'cm^3/(mol*s)'), n=3.06, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39243,8 +39110,8 @@ ) entry( - index = 2798, - label = "C6H5-2 + C2H4S-4 <=> C6H6-2 + C2H3S-4", + index = 2789, + label = "C6H5-3 + C2H4S-7 <=> C6H6-3 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(6.41,'cm^3/(mol*s)'), n=3.06, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39256,8 +39123,8 @@ ) entry( - index = 2799, - label = "C2H4S-4 + C6H5 <=> C6H6 + C2H3S-4", + index = 2790, + label = "C2H4S-7 + C6H5-2 <=> C6H6-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(799,'cm^3/(mol*s)'), n=3.06, Ea=(-17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39269,8 +39136,8 @@ ) entry( - index = 2800, - label = "C2H4S-4 + C7H7 <=> C7H8 + C2H3S-4", + index = 2791, + label = "C2H4S-7 + C7H7-5 <=> C7H8-5 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(118,'cm^3/(mol*s)'), n=3.06, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39282,8 +39149,8 @@ ) entry( - index = 2801, - label = "C2H4S-4 + C8H9 <=> C8H10 + C2H3S-4", + index = 2792, + label = "C2H4S-7 + C8H9-2 <=> C8H10-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(17,'cm^3/(mol*s)'), n=3.06, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39295,8 +39162,8 @@ ) entry( - index = 2802, - label = "C2H4S-4 + C9H11 <=> C9H12 + C2H3S-4", + index = 2793, + label = "C2H4S-7 + C9H11-2 <=> C9H12-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(6.66,'cm^3/(mol*s)'), n=3.06, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39308,8 +39175,8 @@ ) entry( - index = 2803, - label = "CH3S-2 + C2H4S-4 <=> CH3SH_r2 + C2H3S-4", + index = 2794, + label = "CH3S-4 + C2H4S-7 <=> CH4S-4 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(64.9,'cm^3/(mol*s)'), n=3.06, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39321,8 +39188,8 @@ ) entry( - index = 2804, - label = "C2H5S + C2H4S-4 <=> C2H6S + C2H3S-4", + index = 2795, + label = "C2H5S + C2H4S-7 <=> C2H6S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(131,'cm^3/(mol*s)'), n=3.06, Ea=(-8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39334,8 +39201,8 @@ ) entry( - index = 2805, - label = "C3H7S + C2H4S-4 <=> C3H8S + C2H3S-4", + index = 2796, + label = "C3H7S + C2H4S-7 <=> C3H8S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(38.3,'cm^3/(mol*s)'), n=3.06, Ea=(-14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39347,8 +39214,8 @@ ) entry( - index = 2806, - label = "C2H4S-4 + C2H3S-2 <=> C2H4S-2 + C2H3S-4", + index = 2797, + label = "C2H4S-7 + C2H3S-2 <=> C2H4S-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(109,'cm^3/(mol*s)'), n=3.06, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39360,8 +39227,8 @@ ) entry( - index = 2807, - label = "C2H4S-4 + C3H5S <=> C3H6S + C2H3S-4", + index = 2798, + label = "C2H4S-7 + C3H5S-3 <=> C3H6S-3 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(82,'cm^3/(mol*s)'), n=3.06, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39373,8 +39240,8 @@ ) entry( - index = 2808, - label = "C2H4S-4 + C4H7S <=> C4H8S + C2H3S-4", + index = 2799, + label = "C2H4S-7 + C4H7S <=> C4H8S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(50.6,'cm^3/(mol*s)'), n=3.06, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39386,8 +39253,8 @@ ) entry( - index = 2809, - label = "C2H3S-3 + C2H4S-4 <=> C2H4S-3 + C2H3S-4", + index = 2800, + label = "C2H3S-3 + C2H4S-7 <=> C2H4S-3 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(398,'cm^3/(mol*s)'), n=3.06, Ea=(-16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39399,8 +39266,8 @@ ) entry( - index = 2810, - label = "C2H4S-4 + C3H3S <=> C3H4S + C2H3S-4", + index = 2801, + label = "C2H4S-7 + C3H3S <=> C3H4S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(212,'cm^3/(mol*s)'), n=3.06, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39412,8 +39279,8 @@ ) entry( - index = 2811, - label = "C3H5S-2 + C2H4S-4 <=> C3H6S-2 + C2H3S-4", + index = 2802, + label = "C3H5S-4 + C2H4S-7 <=> C3H6S-4 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(102,'cm^3/(mol*s)'), n=3.06, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39425,8 +39292,8 @@ ) entry( - index = 2812, - label = "C4H7S-2 + C2H4S-4 <=> C4H8S-2 + C2H3S-4", + index = 2803, + label = "C4H7S-2 + C2H4S-7 <=> C4H8S-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(22.5,'cm^3/(mol*s)'), n=3.06, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39438,8 +39305,8 @@ ) entry( - index = 2813, - label = "C2H3S2 + C2H4S-4 <=> C2H4S2 + C2H3S-4", + index = 2804, + label = "C2H3S2 + C2H4S-7 <=> C2H4S2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(285,'cm^3/(mol*s)'), n=3.06, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39451,8 +39318,8 @@ ) entry( - index = 2814, - label = "C3H5S2 + C2H4S-4 <=> C3H6S2 + C2H3S-4", + index = 2805, + label = "C3H5S2 + C2H4S-7 <=> C3H6S2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=3.06, Ea=(59.8312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39464,8 +39331,8 @@ ) entry( - index = 2815, - label = "C3H3S-2 + C2H4S-4 <=> C3H4S-2 + C2H3S-4", + index = 2806, + label = "C3H3S-2 + C2H4S-7 <=> C3H4S-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(218,'cm^3/(mol*s)'), n=3.06, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39477,8 +39344,8 @@ ) entry( - index = 2816, - label = "C4H5S + C2H4S-4 <=> C4H6S + C2H3S-4", + index = 2807, + label = "C4H5S + C2H4S-7 <=> C4H6S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(66.8,'cm^3/(mol*s)'), n=3.06, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39490,8 +39357,8 @@ ) entry( - index = 2817, - label = "C7H7S + C2H4S-4 <=> C7H8S + C2H3S-4", + index = 2808, + label = "C7H7S + C2H4S-7 <=> C7H8S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(68.6,'cm^3/(mol*s)'), n=3.06, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39503,8 +39370,8 @@ ) entry( - index = 2818, - label = "C8H9S + C2H4S-4 <=> C8H10S + C2H3S-4", + index = 2809, + label = "C8H9S + C2H4S-7 <=> C8H10S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(17.1,'cm^3/(mol*s)'), n=3.06, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39516,8 +39383,8 @@ ) entry( - index = 2819, - label = "CHS + C2H4S-4 <=> CH2S + C2H3S-4", + index = 2810, + label = "CHS + C2H4S-7 <=> CH2S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=3.06, Ea=(0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39529,8 +39396,8 @@ ) entry( - index = 2820, - label = "C2H4S-4 + C2H3S <=> C2H4S + C2H3S-4", + index = 2811, + label = "C2H4S-7 + C2H3S-4 <=> C2H4S-4 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(689,'cm^3/(mol*s)'), n=3.06, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39542,8 +39409,8 @@ ) entry( - index = 2821, - label = "CHS2 + C2H4S-4 <=> CH2S2 + C2H3S-4", + index = 2812, + label = "CHS2 + C2H4S-7 <=> CH2S2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(527,'cm^3/(mol*s)'), n=3.06, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39555,8 +39422,8 @@ ) entry( - index = 2822, - label = "H + CH2S2-2 <=> H2 + CHS2-2", + index = 2813, + label = "H + CH2S2-3 <=> H2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=3.06, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39568,8 +39435,8 @@ ) entry( - index = 2823, - label = "CH2S2-2 + CH3_r3 <=> CH4b + CHS2-2", + index = 2814, + label = "CH2S2-3 + CH3-2 <=> CH4-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(195,'cm^3/(mol*s)'), n=3.06, Ea=(-6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39581,8 +39448,8 @@ ) entry( - index = 2824, - label = "CH2S2-2 + C2H5 <=> C2H6 + CHS2-2", + index = 2815, + label = "CH2S2-3 + C2H5-2 <=> C2H6-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(8.64,'cm^3/(mol*s)'), n=3.06, Ea=(-11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39594,8 +39461,8 @@ ) entry( - index = 2825, - label = "CH2S2-2 + C3H7 <=> C3H8 + CHS2-2", + index = 2816, + label = "CH2S2-3 + C3H7-2 <=> C3H8-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(10.9,'cm^3/(mol*s)'), n=3.06, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39607,8 +39474,8 @@ ) entry( - index = 2826, - label = "CH2S2-2 + C4H9-4 <=> iC4H10b + CHS2-2", + index = 2817, + label = "CH2S2-3 + C4H9-5 <=> C4H10-5 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(25.9,'cm^3/(mol*s)'), n=3.06, Ea=(-25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39620,8 +39487,8 @@ ) entry( - index = 2827, - label = "C2H3 + CH2S2-2 <=> C2H4 + CHS2-2", + index = 2818, + label = "C2H3 + CH2S2-3 <=> C2H4 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=3.06, Ea=(-16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39633,8 +39500,8 @@ ) entry( - index = 2828, - label = "CH2S2-2 + C3H5-2 <=> C3H6-2 + CHS2-2", + index = 2819, + label = "CH2S2-3 + C3H5-2 <=> C3H6-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(67,'cm^3/(mol*s)'), n=3.06, Ea=(-22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39646,8 +39513,8 @@ ) entry( - index = 2829, - label = "CH2S2-2 + C4H5-3 <=> C4H6-4 + CHS2-2", + index = 2820, + label = "CH2S2-3 + C4H5-7 <=> C4H6-7 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(91.6,'cm^3/(mol*s)'), n=3.06, Ea=(0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39659,8 +39526,8 @@ ) entry( - index = 2830, - label = "C4H3 + CH2S2-2 <=> C4H4 + CHS2-2", + index = 2821, + label = "C4H3-2 + CH2S2-3 <=> C4H4-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(16.1,'cm^3/(mol*s)'), n=3.06, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39672,8 +39539,8 @@ ) entry( - index = 2831, - label = "CH2S2-2 + C3H5 <=> C3H6 + CHS2-2", + index = 2822, + label = "CH2S2-3 + C3H5-3 <=> C3H6-3 + CHS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(18.72,'cm^3/(mol*s)'), n=3.06, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39685,8 +39552,8 @@ ) entry( - index = 2832, - label = "CH2S2-2 + C4H7-4 <=> C4H8-4 + CHS2-2", + index = 2823, + label = "CH2S2-3 + C4H7-10 <=> C4H8-10 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(5.57,'cm^3/(mol*s)'), n=3.06, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39698,8 +39565,8 @@ ) entry( - index = 2833, - label = "CH2S2-2 + C5H9-5 <=> C5H10-3 + CHS2-2", + index = 2824, + label = "CH2S2-3 + C5H9-6 <=> C5H10-6 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.602,'cm^3/(mol*s)'), n=3.06, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39711,8 +39578,8 @@ ) entry( - index = 2834, - label = "CH2S2-2 + C5H7-2 <=> C5H8-2 + CHS2-2", + index = 2825, + label = "CH2S2-3 + C5H7-2 <=> C5H8-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(1.14,'cm^3/(mol*s)'), n=3.06, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39724,8 +39591,8 @@ ) entry( - index = 2835, - label = "CH2S2-2 + C6H9 <=> C6H10 + CHS2-2", + index = 2826, + label = "CH2S2-3 + C6H9 <=> C6H10 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0381,'cm^3/(mol*s)'), n=3.06, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39737,8 +39604,8 @@ ) entry( - index = 2836, - label = "C3H3-2 + CH2S2-2 <=> C3H4 + CHS2-2", + index = 2827, + label = "C3H3-3 + CH2S2-3 <=> C3H4-3 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(10.8,'cm^3/(mol*s)'), n=3.06, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39750,8 +39617,8 @@ ) entry( - index = 2837, - label = "C4H5-5 + CH2S2-2 <=> C4H6 + CHS2-2", + index = 2828, + label = "C4H5-6 + CH2S2-3 <=> C4H6-6 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.36,'cm^3/(mol*s)'), n=3.06, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39763,8 +39630,8 @@ ) entry( - index = 2838, - label = "C5H7-3 + CH2S2-2 <=> C5H8 + CHS2-2", + index = 2829, + label = "C5H7-3 + CH2S2-3 <=> C5H8-3 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.475,'cm^3/(mol*s)'), n=3.06, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39776,8 +39643,8 @@ ) entry( - index = 2839, - label = "C5H3 + CH2S2-2 <=> C5H4 + CHS2-2", + index = 2830, + label = "C5H3 + CH2S2-3 <=> C5H4 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.436,'cm^3/(mol*s)'), n=3.06, Ea=(35.9824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39789,8 +39656,8 @@ ) entry( - index = 2840, - label = "C6H5-2 + CH2S2-2 <=> C6H6-2 + CHS2-2", + index = 2831, + label = "C6H5-3 + CH2S2-3 <=> C6H6-3 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0214,'cm^3/(mol*s)'), n=3.06, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39802,8 +39669,8 @@ ) entry( - index = 2841, - label = "CH2S2-2 + C6H5 <=> C6H6 + CHS2-2", + index = 2832, + label = "CH2S2-3 + C6H5-2 <=> C6H6-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(360,'cm^3/(mol*s)'), n=3.06, Ea=(-23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39815,8 +39682,8 @@ ) entry( - index = 2842, - label = "CH2S2-2 + C7H7 <=> C7H8 + CHS2-2", + index = 2833, + label = "CH2S2-3 + C7H7-5 <=> C7H8-5 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(6.48,'cm^3/(mol*s)'), n=3.06, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39828,8 +39695,8 @@ ) entry( - index = 2843, - label = "CH2S2-2 + C8H9 <=> C8H10 + CHS2-2", + index = 2834, + label = "CH2S2-3 + C8H9-2 <=> C8H10-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.621,'cm^3/(mol*s)'), n=3.06, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39841,8 +39708,8 @@ ) entry( - index = 2844, - label = "CH2S2-2 + C9H11 <=> C9H12 + CHS2-2", + index = 2835, + label = "CH2S2-3 + C9H11-2 <=> C9H12-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.162,'cm^3/(mol*s)'), n=3.06, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39854,8 +39721,8 @@ ) entry( - index = 2845, - label = "CH3S-2 + CH2S2-2 <=> CH3SH_r2 + CHS2-2", + index = 2836, + label = "CH3S-4 + CH2S2-3 <=> CH4S-4 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(4.42,'cm^3/(mol*s)'), n=3.06, Ea=(-9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39867,8 +39734,8 @@ ) entry( - index = 2846, - label = "C2H5S + CH2S2-2 <=> C2H6S + CHS2-2", + index = 2837, + label = "C2H5S + CH2S2-3 <=> C2H6S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(5.91,'cm^3/(mol*s)'), n=3.06, Ea=(-15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39880,8 +39747,8 @@ ) entry( - index = 2847, - label = "C3H7S + CH2S2-2 <=> C3H8S + CHS2-2", + index = 2838, + label = "C3H7S + CH2S2-3 <=> C3H8S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(1.15,'cm^3/(mol*s)'), n=3.06, Ea=(-21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39893,8 +39760,8 @@ ) entry( - index = 2848, - label = "CH2S2-2 + C2H3S-2 <=> C2H4S-2 + CHS2-2", + index = 2839, + label = "CH2S2-3 + C2H3S-2 <=> C2H4S-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(5.38,'cm^3/(mol*s)'), n=3.06, Ea=(33.472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39906,8 +39773,8 @@ ) entry( - index = 2849, - label = "CH2S2-2 + C3H5S <=> C3H6S + CHS2-2", + index = 2840, + label = "CH2S2-3 + C3H5S-3 <=> C3H6S-3 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.69,'cm^3/(mol*s)'), n=3.06, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39919,8 +39786,8 @@ ) entry( - index = 2850, - label = "CH2S2-2 + C4H7S <=> C4H8S + CHS2-2", + index = 2841, + label = "CH2S2-3 + C4H7S <=> C4H8S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(1.1,'cm^3/(mol*s)'), n=3.06, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39932,8 +39799,8 @@ ) entry( - index = 2851, - label = "C2H3S-3 + CH2S2-2 <=> C2H4S-3 + CHS2-2", + index = 2842, + label = "C2H3S-3 + CH2S2-3 <=> C2H4S-3 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(27.1,'cm^3/(mol*s)'), n=3.06, Ea=(-23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39945,8 +39812,8 @@ ) entry( - index = 2852, - label = "CH2S2-2 + C3H3S <=> C3H4S + CHS2-2", + index = 2843, + label = "CH2S2-3 + C3H3S <=> C3H4S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(95.5,'cm^3/(mol*s)'), n=3.06, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39958,8 +39825,8 @@ ) entry( - index = 2853, - label = "C3H5S-2 + CH2S2-2 <=> C3H6S-2 + CHS2-2", + index = 2844, + label = "C3H5S-4 + CH2S2-3 <=> C3H6S-4 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.845,'cm^3/(mol*s)'), n=3.06, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39971,8 +39838,8 @@ ) entry( - index = 2854, - label = "C4H7S-2 + CH2S2-2 <=> C4H8S-2 + CHS2-2", + index = 2845, + label = "C4H7S-2 + CH2S2-3 <=> C4H8S-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.124,'cm^3/(mol*s)'), n=3.06, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39984,8 +39851,8 @@ ) entry( - index = 2855, - label = "C2H3S2 + CH2S2-2 <=> C2H4S2 + CHS2-2", + index = 2846, + label = "C2H3S2 + CH2S2-3 <=> C2H4S2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.12,'cm^3/(mol*s)'), n=3.06, Ea=(60.2496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -39997,8 +39864,8 @@ ) entry( - index = 2856, - label = "C3H5S2 + CH2S2-2 <=> C3H6S2 + CHS2-2", + index = 2847, + label = "C3H5S2 + CH2S2-3 <=> C3H6S2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.52,'cm^3/(mol*s)'), n=3.06, Ea=(63.5968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40010,8 +39877,8 @@ ) entry( - index = 2857, - label = "C3H3S-2 + CH2S2-2 <=> C3H4S-2 + CHS2-2", + index = 2848, + label = "C3H3S-2 + CH2S2-3 <=> C3H4S-2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(1.57,'cm^3/(mol*s)'), n=3.06, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40023,8 +39890,8 @@ ) entry( - index = 2858, - label = "C4H5S + CH2S2-2 <=> C4H6S + CHS2-2", + index = 2849, + label = "C4H5S + CH2S2-3 <=> C4H6S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.319,'cm^3/(mol*s)'), n=3.06, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40036,8 +39903,8 @@ ) entry( - index = 2859, - label = "C7H7S + CH2S2-2 <=> C7H8S + CHS2-2", + index = 2850, + label = "C7H7S + CH2S2-3 <=> C7H8S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.571,'cm^3/(mol*s)'), n=3.06, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40049,8 +39916,8 @@ ) entry( - index = 2860, - label = "C8H9S + CH2S2-2 <=> C8H10S + CHS2-2", + index = 2851, + label = "C8H9S + CH2S2-3 <=> C8H10S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0945,'cm^3/(mol*s)'), n=3.06, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40062,8 +39929,8 @@ ) entry( - index = 2861, - label = "CHS + CH2S2-2 <=> CH2S + CHS2-2", + index = 2852, + label = "CHS + CH2S2-3 <=> CH2S + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(535,'cm^3/(mol*s)'), n=3.06, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40075,8 +39942,8 @@ ) entry( - index = 2862, - label = "CH2S2-2 + C2H3S <=> C2H4S + CHS2-2", + index = 2853, + label = "CH2S2-3 + C2H3S-4 <=> C2H4S-4 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(206,'cm^3/(mol*s)'), n=3.06, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40088,8 +39955,8 @@ ) entry( - index = 2863, - label = "CHS2 + CH2S2-2 <=> CH2S2 + CHS2-2", + index = 2854, + label = "CHS2 + CH2S2-3 <=> CH2S2 + CHS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(35.8,'cm^3/(mol*s)'), n=3.06, Ea=(-9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40101,7 +39968,7 @@ ) entry( - index = 2864, + index = 2855, label = "H + C2H2S <=> H2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(24300,'cm^3/(mol*s)'), n=3.06, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40114,8 +39981,8 @@ ) entry( - index = 2865, - label = "C2H2S + CH3_r3 <=> CH4b + C2HS", + index = 2856, + label = "C2H2S + CH3-2 <=> CH4-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(438,'cm^3/(mol*s)'), n=3.06, Ea=(-7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40127,8 +39994,8 @@ ) entry( - index = 2866, - label = "C2H2S + C2H5 <=> C2H6 + C2HS", + index = 2857, + label = "C2H2S + C2H5-2 <=> C2H6-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(21,'cm^3/(mol*s)'), n=3.06, Ea=(-14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40140,8 +40007,8 @@ ) entry( - index = 2867, - label = "C2H2S + C3H7 <=> C3H8 + C2HS", + index = 2858, + label = "C2H2S + C3H7-2 <=> C3H8-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(28.7,'cm^3/(mol*s)'), n=3.06, Ea=(-20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40153,8 +40020,8 @@ ) entry( - index = 2868, - label = "C2H2S + C4H9-4 <=> iC4H10b + C2HS", + index = 2859, + label = "C2H2S + C4H9-5 <=> C4H10-5 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(74,'cm^3/(mol*s)'), n=3.06, Ea=(-30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40166,7 +40033,7 @@ ) entry( - index = 2869, + index = 2860, label = "C2H2S + C2H3 <=> C2H4 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(577,'cm^3/(mol*s)'), n=3.06, Ea=(-17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40179,7 +40046,7 @@ ) entry( - index = 2870, + index = 2861, label = "C2H2S + C3H5-2 <=> C3H6-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(163,'cm^3/(mol*s)'), n=3.06, Ea=(-24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40192,8 +40059,8 @@ ) entry( - index = 2871, - label = "C2H2S + C4H5-3 <=> C4H6-4 + C2HS", + index = 2862, + label = "C2H2S + C4H5-7 <=> C4H6-7 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(205,'cm^3/(mol*s)'), n=3.06, Ea=(-0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40205,8 +40072,8 @@ ) entry( - index = 2872, - label = "C2H2S + C4H3 <=> C4H4 + C2HS", + index = 2863, + label = "C2H2S + C4H3-2 <=> C4H4-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(36.1,'cm^3/(mol*s)'), n=3.06, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40218,8 +40085,8 @@ ) entry( - index = 2873, - label = "C2H2S + C3H5 <=> C3H6 + C2HS", + index = 2864, + label = "C2H2S + C3H5-3 <=> C3H6-3 + C2HS", degeneracy = 2.0, kinetics = Arrhenius(A=(306,'cm^3/(mol*s)'), n=3.06, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40231,8 +40098,8 @@ ) entry( - index = 2874, - label = "C2H2S + C4H7-4 <=> C4H8-4 + C2HS", + index = 2865, + label = "C2H2S + C4H7-10 <=> C4H8-10 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(98.3,'cm^3/(mol*s)'), n=3.06, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40244,8 +40111,8 @@ ) entry( - index = 2875, - label = "C2H2S + C5H9-5 <=> C5H10-3 + C2HS", + index = 2866, + label = "C2H2S + C5H9-6 <=> C5H10-6 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(11.5,'cm^3/(mol*s)'), n=3.06, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40257,7 +40124,7 @@ ) entry( - index = 2876, + index = 2867, label = "C2H2S + C5H7-2 <=> C5H8-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=3.06, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40270,7 +40137,7 @@ ) entry( - index = 2877, + index = 2868, label = "C2H2S + C6H9 <=> C6H10 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(4.89,'cm^3/(mol*s)'), n=3.06, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40283,8 +40150,8 @@ ) entry( - index = 2878, - label = "C3H3-2 + C2H2S <=> C3H4 + C2HS", + index = 2869, + label = "C3H3-3 + C2H2S <=> C3H4-3 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(82.4,'cm^3/(mol*s)'), n=3.06, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40296,8 +40163,8 @@ ) entry( - index = 2879, - label = "C2H2S + C4H5-5 <=> C4H6 + C2HS", + index = 2870, + label = "C2H2S + C4H5-6 <=> C4H6-6 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(19.5,'cm^3/(mol*s)'), n=3.06, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40309,8 +40176,8 @@ ) entry( - index = 2880, - label = "C2H2S + C5H7-3 <=> C5H8 + C2HS", + index = 2871, + label = "C2H2S + C5H7-3 <=> C5H8-3 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(4.26,'cm^3/(mol*s)'), n=3.06, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40322,7 +40189,7 @@ ) entry( - index = 2881, + index = 2872, label = "C5H3 + C2H2S <=> C5H4 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(11.3,'cm^3/(mol*s)'), n=3.06, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40335,8 +40202,8 @@ ) entry( - index = 2882, - label = "C6H5-2 + C2H2S <=> C6H6-2 + C2HS", + index = 2873, + label = "C6H5-3 + C2H2S <=> C6H6-3 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(0.603,'cm^3/(mol*s)'), n=3.06, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40348,8 +40215,8 @@ ) entry( - index = 2883, - label = "C2H2S + C6H5 <=> C6H6 + C2HS", + index = 2874, + label = "C2H2S + C6H5-2 <=> C6H6-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(807,'cm^3/(mol*s)'), n=3.06, Ea=(-23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40361,8 +40228,8 @@ ) entry( - index = 2884, - label = "C2H2S + C7H7 <=> C7H8 + C2HS", + index = 2875, + label = "C2H2S + C7H7-5 <=> C7H8-5 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(106,'cm^3/(mol*s)'), n=3.06, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40374,8 +40241,8 @@ ) entry( - index = 2885, - label = "C2H2S + C8H9 <=> C8H10 + C2HS", + index = 2876, + label = "C2H2S + C8H9-2 <=> C8H10-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(11,'cm^3/(mol*s)'), n=3.06, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40387,8 +40254,8 @@ ) entry( - index = 2886, - label = "C2H2S + C9H11 <=> C9H12 + C2HS", + index = 2877, + label = "C2H2S + C9H11-2 <=> C9H12-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(3.1,'cm^3/(mol*s)'), n=3.06, Ea=(-16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40400,8 +40267,8 @@ ) entry( - index = 2887, - label = "C2H2S + CH3S-2 <=> CH3SH_r2 + C2HS", + index = 2878, + label = "C2H2S + CH3S-4 <=> CH4S-4 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(68.5,'cm^3/(mol*s)'), n=3.06, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40413,7 +40280,7 @@ ) entry( - index = 2888, + index = 2879, label = "C2H2S + C2H5S <=> C2H6S + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(99.4,'cm^3/(mol*s)'), n=3.06, Ea=(-18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40426,7 +40293,7 @@ ) entry( - index = 2889, + index = 2880, label = "C2H2S + C3H7S <=> C3H8S + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(20.9,'cm^3/(mol*s)'), n=3.06, Ea=(-26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40439,7 +40306,7 @@ ) entry( - index = 2890, + index = 2881, label = "C2H2S + C2H3S-2 <=> C2H4S-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(31,'cm^3/(mol*s)'), n=3.06, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40452,8 +40319,8 @@ ) entry( - index = 2891, - label = "C2H2S + C3H5S <=> C3H6S + C2HS", + index = 2882, + label = "C2H2S + C3H5S-3 <=> C3H6S-3 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(16.8,'cm^3/(mol*s)'), n=3.06, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40465,7 +40332,7 @@ ) entry( - index = 2892, + index = 2883, label = "C2H2S + C4H7S <=> C4H8S + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(7.45,'cm^3/(mol*s)'), n=3.06, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40478,7 +40345,7 @@ ) entry( - index = 2893, + index = 2884, label = "C2H2S + C2H3S-3 <=> C2H4S-3 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(421,'cm^3/(mol*s)'), n=3.06, Ea=(-25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40491,7 +40358,7 @@ ) entry( - index = 2894, + index = 2885, label = "C2H2S + C3H3S <=> C3H4S + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(214,'cm^3/(mol*s)'), n=3.06, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40504,7 +40371,7 @@ ) entry( - index = 2895, + index = 2886, label = "H + C6H6S <=> H2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(19300,'cm^3/(mol*s)'), n=3.06, Ea=(-4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40517,8 +40384,8 @@ ) entry( - index = 2896, - label = "C6H6S + CH3_r3 <=> CH4b + C6H5S", + index = 2887, + label = "C6H6S + CH3-2 <=> CH4-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=3.06, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40530,8 +40397,8 @@ ) entry( - index = 2897, - label = "C6H6S + C2H5 <=> C2H6 + C6H5S", + index = 2888, + label = "C6H6S + C2H5-2 <=> C2H6-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(23.2,'cm^3/(mol*s)'), n=3.06, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40543,8 +40410,8 @@ ) entry( - index = 2898, - label = "C6H6S + C3H7 <=> C3H8 + C6H5S", + index = 2889, + label = "C6H6S + C3H7-2 <=> C3H8-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(44.1,'cm^3/(mol*s)'), n=3.06, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40556,8 +40423,8 @@ ) entry( - index = 2899, - label = "C6H6S + C4H9-4 <=> iC4H10b + C6H5S", + index = 2890, + label = "C6H6S + C4H9-5 <=> C4H10-5 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(158,'cm^3/(mol*s)'), n=3.06, Ea=(-19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40569,7 +40436,7 @@ ) entry( - index = 2900, + index = 2891, label = "C2H3 + C6H6S <=> C2H4 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(458,'cm^3/(mol*s)'), n=3.06, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40582,7 +40449,7 @@ ) entry( - index = 2901, + index = 2892, label = "C6H6S + C3H5-2 <=> C3H6-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(180,'cm^3/(mol*s)'), n=3.06, Ea=(-16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40595,8 +40462,8 @@ ) entry( - index = 2902, - label = "C6H6S + C4H5-3 <=> C4H6-4 + C6H5S", + index = 2893, + label = "C6H6S + C4H5-7 <=> C4H6-7 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(163,'cm^3/(mol*s)'), n=3.06, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40608,8 +40475,8 @@ ) entry( - index = 2903, - label = "C4H3 + C6H6S <=> C4H4 + C6H5S", + index = 2894, + label = "C4H3-2 + C6H6S <=> C4H4-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(28.6,'cm^3/(mol*s)'), n=3.06, Ea=(-4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40621,8 +40488,8 @@ ) entry( - index = 2904, - label = "C6H6S + C3H5 <=> C3H6 + C6H5S", + index = 2895, + label = "C6H6S + C3H5-3 <=> C3H6-3 + C6H5S", degeneracy = 2.0, kinetics = Arrhenius(A=(272,'cm^3/(mol*s)'), n=3.06, Ea=(17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40634,8 +40501,8 @@ ) entry( - index = 2905, - label = "C6H6S + C4H7-4 <=> C4H8-4 + C6H5S", + index = 2896, + label = "C6H6S + C4H7-10 <=> C4H8-10 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(122,'cm^3/(mol*s)'), n=3.06, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40647,8 +40514,8 @@ ) entry( - index = 2906, - label = "C6H6S + C5H9-5 <=> C5H10-3 + C6H5S", + index = 2897, + label = "C6H6S + C5H9-6 <=> C5H10-6 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(19.9,'cm^3/(mol*s)'), n=3.06, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40660,7 +40527,7 @@ ) entry( - index = 2907, + index = 2898, label = "C6H6S + C5H7-2 <=> C5H8-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(136,'cm^3/(mol*s)'), n=3.06, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40673,7 +40540,7 @@ ) entry( - index = 2908, + index = 2899, label = "C6H6S + C6H9 <=> C6H10 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(6.83,'cm^3/(mol*s)'), n=3.06, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40686,8 +40553,8 @@ ) entry( - index = 2909, - label = "C3H3-2 + C6H6S <=> C3H4 + C6H5S", + index = 2900, + label = "C3H3-3 + C6H6S <=> C3H4-3 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(182,'cm^3/(mol*s)'), n=3.06, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40699,8 +40566,8 @@ ) entry( - index = 2910, - label = "C4H5-5 + C6H6S <=> C4H6 + C6H5S", + index = 2901, + label = "C4H5-6 + C6H6S <=> C4H6-6 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(59.9,'cm^3/(mol*s)'), n=3.06, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40712,8 +40579,8 @@ ) entry( - index = 2911, - label = "C5H7-3 + C6H6S <=> C5H8 + C6H5S", + index = 2902, + label = "C5H7-3 + C6H6S <=> C5H8-3 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(18.2,'cm^3/(mol*s)'), n=3.06, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40725,7 +40592,7 @@ ) entry( - index = 2912, + index = 2903, label = "C5H3 + C6H6S <=> C5H4 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(69.6,'cm^3/(mol*s)'), n=3.06, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40738,8 +40605,8 @@ ) entry( - index = 2913, - label = "C6H5-2 + C6H6S <=> C6H6-2 + C6H5S", + index = 2904, + label = "C6H5-3 + C6H6S <=> C6H6-3 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(5.14,'cm^3/(mol*s)'), n=3.06, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40751,8 +40618,8 @@ ) entry( - index = 2914, - label = "C6H6S + C6H5 <=> C6H6 + C6H5S", + index = 2905, + label = "C6H6S + C6H5-2 <=> C6H6-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(641,'cm^3/(mol*s)'), n=3.06, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40764,8 +40631,8 @@ ) entry( - index = 2915, - label = "C6H6S + C7H7 <=> C7H8 + C6H5S", + index = 2906, + label = "C6H6S + C7H7-5 <=> C7H8-5 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(94.3,'cm^3/(mol*s)'), n=3.06, Ea=(5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40777,8 +40644,8 @@ ) entry( - index = 2916, - label = "C6H6S + C8H9 <=> C8H10 + C6H5S", + index = 2907, + label = "C6H6S + C8H9-2 <=> C8H10-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(13.6,'cm^3/(mol*s)'), n=3.06, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40790,8 +40657,8 @@ ) entry( - index = 2917, - label = "C6H6S + C9H11 <=> C9H12 + C6H5S", + index = 2908, + label = "C6H6S + C9H11-2 <=> C9H12-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(5.34,'cm^3/(mol*s)'), n=3.06, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40803,8 +40670,8 @@ ) entry( - index = 2918, - label = "CH3S-2 + C6H6S <=> CH3SH_r2 + C6H5S", + index = 2909, + label = "CH3S-4 + C6H6S <=> CH4S-4 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(52.1,'cm^3/(mol*s)'), n=3.06, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40816,7 +40683,7 @@ ) entry( - index = 2919, + index = 2910, label = "C2H5S + C6H6S <=> C2H6S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=3.06, Ea=(-7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40829,7 +40696,7 @@ ) entry( - index = 2920, + index = 2911, label = "C3H7S + C6H6S <=> C3H8S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(30.7,'cm^3/(mol*s)'), n=3.06, Ea=(-14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40842,7 +40709,7 @@ ) entry( - index = 2921, + index = 2912, label = "C6H6S + C2H3S-2 <=> C2H4S-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(87.5,'cm^3/(mol*s)'), n=3.06, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40855,8 +40722,8 @@ ) entry( - index = 2922, - label = "C6H6S + C3H5S <=> C3H6S + C6H5S", + index = 2913, + label = "C6H6S + C3H5S-3 <=> C3H6S-3 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(65.8,'cm^3/(mol*s)'), n=3.06, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40868,7 +40735,7 @@ ) entry( - index = 2923, + index = 2914, label = "C6H6S + C4H7S <=> C4H8S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(40.6,'cm^3/(mol*s)'), n=3.06, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40881,7 +40748,7 @@ ) entry( - index = 2924, + index = 2915, label = "C2H3S-3 + C6H6S <=> C2H4S-3 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(320,'cm^3/(mol*s)'), n=3.06, Ea=(-15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40894,7 +40761,7 @@ ) entry( - index = 2925, + index = 2916, label = "C6H6S + C3H3S <=> C3H4S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(170,'cm^3/(mol*s)'), n=3.06, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40907,8 +40774,8 @@ ) entry( - index = 2926, - label = "C3H5S-2 + C6H6S <=> C3H6S-2 + C6H5S", + index = 2917, + label = "C3H5S-4 + C6H6S <=> C3H6S-4 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(81.5,'cm^3/(mol*s)'), n=3.06, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -40920,7 +40787,7 @@ ) entry( - index = 2927, + index = 2918, label = "C4H7S-2 + C6H6S <=> C4H8S-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(18,'cm^3/(mol*s)'), n=3.06, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40933,7 +40800,7 @@ ) entry( - index = 2928, + index = 2919, label = "C2H3S2 + C6H6S <=> C2H4S2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(229,'cm^3/(mol*s)'), n=3.06, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40946,7 +40813,7 @@ ) entry( - index = 2929, + index = 2920, label = "C3H5S2 + C6H6S <=> C3H6S2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(84.4,'cm^3/(mol*s)'), n=3.06, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40959,7 +40826,7 @@ ) entry( - index = 2930, + index = 2921, label = "C3H3S-2 + C6H6S <=> C3H4S-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(175,'cm^3/(mol*s)'), n=3.06, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40972,7 +40839,7 @@ ) entry( - index = 2931, + index = 2922, label = "C4H5S + C6H6S <=> C4H6S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(53.6,'cm^3/(mol*s)'), n=3.06, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40985,7 +40852,7 @@ ) entry( - index = 2932, + index = 2923, label = "C7H7S + C6H6S <=> C7H8S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(55,'cm^3/(mol*s)'), n=3.06, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -40998,7 +40865,7 @@ ) entry( - index = 2933, + index = 2924, label = "C8H9S + C6H6S <=> C8H10S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(13.7,'cm^3/(mol*s)'), n=3.06, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -41011,7 +40878,7 @@ ) entry( - index = 2934, + index = 2925, label = "CHS + C6H6S <=> CH2S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(953,'cm^3/(mol*s)'), n=3.06, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -41024,8 +40891,8 @@ ) entry( - index = 2935, - label = "C6H6S + C2H3S <=> C2H4S + C6H5S", + index = 2926, + label = "C6H6S + C2H3S-4 <=> C2H4S-4 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(553,'cm^3/(mol*s)'), n=3.06, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41037,7 +40904,7 @@ ) entry( - index = 2936, + index = 2927, label = "CHS2 + C6H6S <=> CH2S2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(423,'cm^3/(mol*s)'), n=3.06, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), @@ -41050,8 +40917,8 @@ ) entry( - index = 2937, - label = "H + HSSH_r12 <=> H2 + HSS_r3", + index = 2928, + label = "H + H2S2-2 <=> H2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=3.06, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41063,8 +40930,8 @@ ) entry( - index = 2938, - label = "HSSH_r12 + CH3_r3 <=> CH4b + HSS_r3", + index = 2929, + label = "H2S2-2 + CH3-2 <=> CH4-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(800,'cm^3/(mol*s)'), n=3.06, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41076,8 +40943,8 @@ ) entry( - index = 2939, - label = "HSSH_r12 + C2H5 <=> C2H6 + HSS_r3", + index = 2930, + label = "H2S2-2 + C2H5-2 <=> C2H6-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(72.6,'cm^3/(mol*s)'), n=3.06, Ea=(-12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41089,8 +40956,8 @@ ) entry( - index = 2940, - label = "HSSH_r12 + C3H7 <=> C3H8 + HSS_r3", + index = 2931, + label = "H2S2-2 + C3H7-2 <=> C3H8-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(188.4,'cm^3/(mol*s)'), n=3.06, Ea=(-17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41102,8 +40969,8 @@ ) entry( - index = 2941, - label = "HSSH_r12 + C4H9-4 <=> iC4H10b + HSS_r3", + index = 2932, + label = "H2S2-2 + C4H9-5 <=> C4H10-5 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(920,'cm^3/(mol*s)'), n=3.06, Ea=(-26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41115,8 +40982,8 @@ ) entry( - index = 2942, - label = "HSSH_r12 + C2H3 <=> C2H4 + HSS_r3", + index = 2933, + label = "H2S2-2 + C2H3 <=> C2H4 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1054,'cm^3/(mol*s)'), n=3.06, Ea=(-17.1544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41128,8 +40995,8 @@ ) entry( - index = 2943, - label = "HSSH_r12 + C3H5-2 <=> C3H6-2 + HSS_r3", + index = 2934, + label = "H2S2-2 + C3H5-2 <=> C3H6-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(564,'cm^3/(mol*s)'), n=3.06, Ea=(-23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41141,8 +41008,8 @@ ) entry( - index = 2944, - label = "HSSH_r12 + C4H5-3 <=> C4H6-4 + HSS_r3", + index = 2935, + label = "H2S2-2 + C4H5-7 <=> C4H6-7 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(374,'cm^3/(mol*s)'), n=3.06, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41154,8 +41021,8 @@ ) entry( - index = 2945, - label = "C4H3 + HSSH_r12 <=> C4H4 + HSS_r3", + index = 2936, + label = "C4H3-2 + H2S2-2 <=> C4H4-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(65.8,'cm^3/(mol*s)'), n=3.06, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41167,8 +41034,8 @@ ) entry( - index = 2946, - label = "HSSH_r12 + C3H5 <=> C3H6 + HSS_r3", + index = 2937, + label = "H2S2-2 + C3H5-3 <=> C3H6-3 + HS2-3", degeneracy = 4.0, kinetics = Arrhenius(A=(576,'cm^3/(mol*s)'), n=3.06, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41180,8 +41047,8 @@ ) entry( - index = 2947, - label = "HSSH_r12 + C4H7-4 <=> C4H8-4 + HSS_r3", + index = 2938, + label = "H2S2-2 + C4H7-10 <=> C4H8-10 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(352,'cm^3/(mol*s)'), n=3.06, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41193,8 +41060,8 @@ ) entry( - index = 2948, - label = "HSSH_r12 + C5H9-5 <=> C5H10-3 + HSS_r3", + index = 2939, + label = "H2S2-2 + C5H9-6 <=> C5H10-6 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(78,'cm^3/(mol*s)'), n=3.06, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41206,8 +41073,8 @@ ) entry( - index = 2949, - label = "HSSH_r12 + C5H7-2 <=> C5H8-2 + HSS_r3", + index = 2940, + label = "H2S2-2 + C5H7-2 <=> C5H8-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(264,'cm^3/(mol*s)'), n=3.06, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41219,8 +41086,8 @@ ) entry( - index = 2950, - label = "HSSH_r12 + C6H9 <=> C6H10 + HSS_r3", + index = 2941, + label = "H2S2-2 + C6H9 <=> C6H10 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(18.02,'cm^3/(mol*s)'), n=3.06, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41232,8 +41099,8 @@ ) entry( - index = 2951, - label = "C3H3-2 + HSSH_r12 <=> C3H4 + HSS_r3", + index = 2942, + label = "C3H3-3 + H2S2-2 <=> C3H4-3 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(478,'cm^3/(mol*s)'), n=3.06, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41245,8 +41112,8 @@ ) entry( - index = 2952, - label = "C4H5-5 + HSSH_r12 <=> C4H6 + HSS_r3", + index = 2943, + label = "C4H5-6 + H2S2-2 <=> C4H6-6 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(214,'cm^3/(mol*s)'), n=3.06, Ea=(0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41258,8 +41125,8 @@ ) entry( - index = 2953, - label = "C5H7-3 + HSSH_r12 <=> C5H8 + HSS_r3", + index = 2944, + label = "C5H7-3 + H2S2-2 <=> C5H8-3 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(88.6,'cm^3/(mol*s)'), n=3.06, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41271,8 +41138,8 @@ ) entry( - index = 2954, - label = "C5H3 + HSSH_r12 <=> C5H4 + HSS_r3", + index = 2945, + label = "C5H3 + H2S2-2 <=> C5H4 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(208,'cm^3/(mol*s)'), n=3.06, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41284,8 +41151,8 @@ ) entry( - index = 2955, - label = "C6H5-2 + HSSH_r12 <=> C6H6-2 + HSS_r3", + index = 2946, + label = "C6H5-3 + H2S2-2 <=> C6H6-3 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(21,'cm^3/(mol*s)'), n=3.06, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41297,8 +41164,8 @@ ) entry( - index = 2956, - label = "HSSH_r12 + C6H5 <=> C6H6 + HSS_r3", + index = 2947, + label = "H2S2-2 + C6H5-2 <=> C6H6-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1474,'cm^3/(mol*s)'), n=3.06, Ea=(-23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41310,8 +41177,8 @@ ) entry( - index = 2957, - label = "HSSH_r12 + C7H7 <=> C7H8 + HSS_r3", + index = 2948, + label = "H2S2-2 + C7H7-5 <=> C7H8-5 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(198.8,'cm^3/(mol*s)'), n=3.06, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41323,8 +41190,8 @@ ) entry( - index = 2958, - label = "HSSH_r12 + C8H9 <=> C8H10 + HSS_r3", + index = 2949, + label = "H2S2-2 + C8H9-2 <=> C8H10-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(39.2,'cm^3/(mol*s)'), n=3.06, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41336,8 +41203,8 @@ ) entry( - index = 2959, - label = "HSSH_r12 + C9H11 <=> C9H12 + HSS_r3", + index = 2950, + label = "H2S2-2 + C9H11-2 <=> C9H12-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(21,'cm^3/(mol*s)'), n=3.06, Ea=(-14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41349,8 +41216,8 @@ ) entry( - index = 2960, - label = "HSSH_r12 + CH3S-2 <=> CH3SH_r2 + HSS_r3", + index = 2951, + label = "H2S2-2 + CH3S-4 <=> CH4S-4 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(119.2,'cm^3/(mol*s)'), n=3.06, Ea=(-11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41362,8 +41229,8 @@ ) entry( - index = 2961, - label = "HSSH_r12 + C2H5S <=> C2H6S + HSS_r3", + index = 2952, + label = "H2S2-2 + C2H5S <=> C2H6S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(328,'cm^3/(mol*s)'), n=3.06, Ea=(-17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41375,8 +41242,8 @@ ) entry( - index = 2962, - label = "HSSH_r12 + C3H7S <=> C3H8S + HSS_r3", + index = 2953, + label = "H2S2-2 + C3H7S <=> C3H8S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(131,'cm^3/(mol*s)'), n=3.06, Ea=(-24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41388,8 +41255,8 @@ ) entry( - index = 2963, - label = "HSSH_r12 + C2H3S-2 <=> C2H4S-2 + HSS_r3", + index = 2954, + label = "H2S2-2 + C2H3S-2 <=> C2H4S-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(179,'cm^3/(mol*s)'), n=3.06, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41401,8 +41268,8 @@ ) entry( - index = 2964, - label = "HSSH_r12 + C3H5S <=> C3H6S + HSS_r3", + index = 2955, + label = "H2S2-2 + C3H5S-3 <=> C3H6S-3 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(183.6,'cm^3/(mol*s)'), n=3.06, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41414,8 +41281,8 @@ ) entry( - index = 2965, - label = "HSSH_r12 + C4H7S <=> C4H8S + HSS_r3", + index = 2956, + label = "H2S2-2 + C4H7S <=> C4H8S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(154.4,'cm^3/(mol*s)'), n=3.06, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41427,8 +41294,8 @@ ) entry( - index = 2966, - label = "HSSH_r12 + C2H3S-3 <=> C2H4S-3 + HSS_r3", + index = 2957, + label = "H2S2-2 + C2H3S-3 <=> C2H4S-3 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(732,'cm^3/(mol*s)'), n=3.06, Ea=(-25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41440,8 +41307,8 @@ ) entry( - index = 2967, - label = "HSSH_r12 + C3H3S <=> C3H4S + HSS_r3", + index = 2958, + label = "H2S2-2 + C3H3S <=> C3H4S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(390,'cm^3/(mol*s)'), n=3.06, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41453,8 +41320,8 @@ ) entry( - index = 2968, - label = "HSSH_r12 + C3H5S-2 <=> C3H6S-2 + HSS_r3", + index = 2959, + label = "H2S2-2 + C3H5S-4 <=> C3H6S-4 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(171.2,'cm^3/(mol*s)'), n=3.06, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41466,8 +41333,8 @@ ) entry( - index = 2969, - label = "HSSH_r12 + C4H7S-2 <=> C4H8S-2 + HSS_r3", + index = 2960, + label = "H2S2-2 + C4H7S-2 <=> C4H8S-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(51.6,'cm^3/(mol*s)'), n=3.06, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41479,8 +41346,8 @@ ) entry( - index = 2970, - label = "HSSH_r12 + C2H3S2 <=> C2H4S2 + HSS_r3", + index = 2961, + label = "H2S2-2 + C2H3S2 <=> C2H4S2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(466,'cm^3/(mol*s)'), n=3.06, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41492,8 +41359,8 @@ ) entry( - index = 2971, - label = "HSSH_r12 + C3H5S2 <=> C3H6S2 + HSS_r3", + index = 2962, + label = "H2S2-2 + C3H5S2 <=> C3H6S2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(234,'cm^3/(mol*s)'), n=3.06, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41505,8 +41372,8 @@ ) entry( - index = 2972, - label = "HSSH_r12 + C3H3S-2 <=> C3H4S-2 + HSS_r3", + index = 2963, + label = "H2S2-2 + C3H3S-2 <=> C3H4S-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(456,'cm^3/(mol*s)'), n=3.06, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41518,8 +41385,8 @@ ) entry( - index = 2973, - label = "C4H5S + HSSH_r12 <=> C4H6S + HSS_r3", + index = 2964, + label = "C4H5S + H2S2-2 <=> C4H6S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(190.8,'cm^3/(mol*s)'), n=3.06, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41531,8 +41398,8 @@ ) entry( - index = 2974, - label = "HSSH_r12 + C7H7S <=> C7H8S + HSS_r3", + index = 2965, + label = "H2S2-2 + C7H7S <=> C7H8S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(115.6,'cm^3/(mol*s)'), n=3.06, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41544,8 +41411,8 @@ ) entry( - index = 2975, - label = "HSSH_r12 + C8H9S <=> C8H10S + HSS_r3", + index = 2966, + label = "H2S2-2 + C8H9S <=> C8H10S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(39.4,'cm^3/(mol*s)'), n=3.06, Ea=(-8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41557,8 +41424,8 @@ ) entry( - index = 2976, - label = "CHS + HSSH_r12 <=> CH2S + HSS_r3", + index = 2967, + label = "CHS + H2S2-2 <=> CH2S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(2200,'cm^3/(mol*s)'), n=3.06, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41570,8 +41437,8 @@ ) entry( - index = 2977, - label = "HSSH_r12 + C2H3S <=> C2H4S + HSS_r3", + index = 2968, + label = "H2S2-2 + C2H3S-4 <=> C2H4S-4 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1734,'cm^3/(mol*s)'), n=3.06, Ea=(-11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41583,8 +41450,8 @@ ) entry( - index = 2978, - label = "CHS2 + HSSH_r12 <=> CH2S2 + HSS_r3", + index = 2969, + label = "CHS2 + H2S2-2 <=> CH2S2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(968,'cm^3/(mol*s)'), n=3.06, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41596,8 +41463,8 @@ ) entry( - index = 2979, - label = "H2S_r + CH3S <=> CH3SH_r1 + SH", + index = 2970, + label = "H2S-2 + CH3S-3 <=> CH4S-3 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(1910,'cm^3/(mol*s)'), n=3.15, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41609,8 +41476,8 @@ ) entry( - index = 2980, - label = "H2S_r + C2H3S-4 <=> C2H4S-4 + SH", + index = 2971, + label = "H2S-2 + C2H3S-8 <=> C2H4S-8 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(732,'cm^3/(mol*s)'), n=3.15, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41622,8 +41489,8 @@ ) entry( - index = 2981, - label = "H2S_r + C2HS <=> C2H2S + SH", + index = 2972, + label = "H2S-2 + C2HS-2 <=> C2H2S-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2980,'cm^3/(mol*s)'), n=3.15, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41635,8 +41502,8 @@ ) entry( - index = 2982, - label = "H2S_r + C6H5S <=> C6H6S + SH", + index = 2973, + label = "H2S-2 + C6H5S-2 <=> C6H6S-2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(934,'cm^3/(mol*s)'), n=3.15, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41648,8 +41515,8 @@ ) entry( - index = 2983, - label = "HSS_r3 + H2S_r <=> HSSH_r12 + SH", + index = 2974, + label = "HS2-2 + H2S-2 <=> H2S2 + HS-2", degeneracy = 2.0, kinetics = Arrhenius(A=(2740,'cm^3/(mol*s)'), n=3.15, Ea=(43.9738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41661,8 +41528,8 @@ ) entry( - index = 2984, - label = "SH + CH3SH_r1 <=> H2S_r + CH3S", + index = 2975, + label = "HS + CH4S <=> H2S + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(903,'cm^3/(mol*s)'), n=3.15, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41674,8 +41541,8 @@ ) entry( - index = 2985, - label = "CH3SH_r1 + C2H3S-4 <=> C2H4S-4 + CH3S", + index = 2976, + label = "CH4S + C2H3S-8 <=> C2H4S-8 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(675,'cm^3/(mol*s)'), n=3.15, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41687,8 +41554,8 @@ ) entry( - index = 2986, - label = "C2HS + CH3SH_r1 <=> C2H2S + CH3S", + index = 2977, + label = "C2HS-2 + CH4S <=> C2H2S-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(716,'cm^3/(mol*s)'), n=3.15, Ea=(41.0032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41700,8 +41567,8 @@ ) entry( - index = 2987, - label = "CH3SH_r1 + C6H5S <=> C6H6S + CH3S", + index = 2978, + label = "CH4S + C6H5S-2 <=> C6H6S-2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(537,'cm^3/(mol*s)'), n=3.15, Ea=(28.2838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41713,8 +41580,8 @@ ) entry( - index = 2988, - label = "HSS_r3 + CH3SH_r1 <=> HSSH_r12 + CH3S", + index = 2979, + label = "HS2-2 + CH4S <=> H2S2 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(557,'cm^3/(mol*s)'), n=3.15, Ea=(67.3206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41726,8 +41593,8 @@ ) entry( - index = 2989, - label = "SH + C2H4S-4 <=> H2S_r + C2H3S-4", + index = 2980, + label = "HS + C2H4S-7 <=> H2S + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(931,'cm^3/(mol*s)'), n=3.15, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41739,8 +41606,8 @@ ) entry( - index = 2990, - label = "C2H4S-4 + CH3S <=> CH3SH_r1 + C2H3S-4", + index = 2981, + label = "C2H4S-7 + CH3S-3 <=> CH4S-3 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=3.15, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41752,8 +41619,8 @@ ) entry( - index = 2991, - label = "C2HS + C2H4S-4 <=> C2H2S + C2H3S-4", + index = 2982, + label = "C2HS-2 + C2H4S-7 <=> C2H2S-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(2110,'cm^3/(mol*s)'), n=3.15, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41765,8 +41632,8 @@ ) entry( - index = 2992, - label = "C2H4S-4 + C6H5S <=> C6H6S + C2H3S-4", + index = 2983, + label = "C2H4S-7 + C6H5S-2 <=> C6H6S-2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(682,'cm^3/(mol*s)'), n=3.15, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41778,8 +41645,8 @@ ) entry( - index = 2993, - label = "HSS_r3 + C2H4S-4 <=> HSSH_r12 + C2H3S-4", + index = 2984, + label = "HS2-2 + C2H4S-7 <=> H2S2 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(459,'cm^3/(mol*s)'), n=3.15, Ea=(-6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41791,8 +41658,8 @@ ) entry( - index = 2994, - label = "SH + C2H2S <=> H2S_r + C2HS", + index = 2985, + label = "HS + C2H2S <=> H2S + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(493,'cm^3/(mol*s)'), n=3.15, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41804,8 +41671,8 @@ ) entry( - index = 2995, - label = "C2H2S + CH3S <=> CH3SH_r1 + C2HS", + index = 2986, + label = "C2H2S + CH3S-3 <=> CH4S-3 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(250,'cm^3/(mol*s)'), n=3.15, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41817,8 +41684,8 @@ ) entry( - index = 2996, - label = "C2H2S + C2H3S-4 <=> C2H4S-4 + C2HS", + index = 2987, + label = "C2H2S + C2H3S-8 <=> C2H4S-8 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(275,'cm^3/(mol*s)'), n=3.15, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41830,8 +41697,8 @@ ) entry( - index = 2997, - label = "C2H2S + C6H5S <=> C6H6S + C2HS", + index = 2988, + label = "C2H2S + C6H5S-2 <=> C6H6S-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(964,'cm^3/(mol*s)'), n=3.15, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41843,8 +41710,8 @@ ) entry( - index = 2998, - label = "HSS_r3 + C2H2S <=> HSSH_r12 + C2HS", + index = 2989, + label = "HS2-2 + C2H2S <=> H2S2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(351,'cm^3/(mol*s)'), n=3.15, Ea=(33.0118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41856,8 +41723,8 @@ ) entry( - index = 2999, - label = "SH + C6H6S <=> H2S_r + C6H5S", + index = 2990, + label = "HS + C6H6S <=> H2S + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(199,'cm^3/(mol*s)'), n=3.15, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41869,8 +41736,8 @@ ) entry( - index = 3000, - label = "C6H6S + CH3S <=> CH3SH_r1 + C6H5S", + index = 2991, + label = "C6H6S + CH3S-3 <=> CH4S-3 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(241,'cm^3/(mol*s)'), n=3.15, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41882,8 +41749,8 @@ ) entry( - index = 3001, - label = "C6H6S + C2H3S-4 <=> C2H4S-4 + C6H5S", + index = 2992, + label = "C6H6S + C2H3S-8 <=> C2H4S-8 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(114,'cm^3/(mol*s)'), n=3.15, Ea=(10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41895,8 +41762,8 @@ ) entry( - index = 3002, - label = "C2HS + C6H6S <=> C2H2S + C6H5S", + index = 2993, + label = "C2HS-2 + C6H6S <=> C2H2S-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=3.15, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41908,8 +41775,8 @@ ) entry( - index = 3003, - label = "HSS_r3 + C6H6S <=> HSSH_r12 + C6H5S", + index = 2994, + label = "HS2-2 + C6H6S <=> H2S2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(384,'cm^3/(mol*s)'), n=3.15, Ea=(39.0367,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41921,8 +41788,8 @@ ) entry( - index = 3004, - label = "SH + HSSH_r12 <=> H2S_r + HSS_r3", + index = 2995, + label = "HS + H2S2-2 <=> H2S + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(2880,'cm^3/(mol*s)'), n=3.15, Ea=(-10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41934,8 +41801,8 @@ ) entry( - index = 3005, - label = "HSSH_r12 + CH3S <=> CH3SH_r1 + HSS_r3", + index = 2996, + label = "H2S2-2 + CH3S-3 <=> CH4S-3 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1234,'cm^3/(mol*s)'), n=3.15, Ea=(-9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41947,8 +41814,8 @@ ) entry( - index = 3006, - label = "HSSH_r12 + C2H3S-4 <=> C2H4S-4 + HSS_r3", + index = 2997, + label = "H2S2-2 + C2H3S-8 <=> C2H4S-8 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(380,'cm^3/(mol*s)'), n=3.15, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41960,8 +41827,8 @@ ) entry( - index = 3007, - label = "C2HS + HSSH_r12 <=> C2H2S + HSS_r3", + index = 2998, + label = "C2HS-2 + H2S2-2 <=> C2H2S-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(2220,'cm^3/(mol*s)'), n=3.15, Ea=(-1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41973,8 +41840,8 @@ ) entry( - index = 3008, - label = "HSSH_r12 + C6H5S <=> C6H6S + HSS_r3", + index = 2999, + label = "H2S2-2 + C6H5S-2 <=> C6H6S-2 + HS2-3", degeneracy = 2.0, kinetics = Arrhenius(A=(1896,'cm^3/(mol*s)'), n=3.15, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -41986,8 +41853,8 @@ ) entry( - index = 3009, - label = "C3H3-2 + C2H4O-2 <=> C3H4 + C2H3O-3", + index = 3000, + label = "C3H3-3 + C2H4O-6 <=> C3H4-3 + C2H3O-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0065,'cm^3/(mol*s)'), n=4.245, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2500,'K')), rank = 6, @@ -42001,8 +41868,8 @@ ) entry( - index = 3010, - label = "C3H4-1 + C2H3O-3 <=> C2H4O-2 + C3H3", + index = 3001, + label = "C3H4 + C2H3O-4 <=> C2H4O-4 + C3H3", degeneracy = 4.0, kinetics = Arrhenius(A=(0.0084,'cm^3/(mol*s)'), n=4.36, Ea=(103.257,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(2500,'K')), rank = 6, @@ -42016,8 +41883,8 @@ ) entry( - index = 3011, - label = "OH + C2H4O <=> H2O + C2H3O", + index = 3002, + label = "HO + C2H4O <=> H2O + C2H3O", degeneracy = 1.0, kinetics = Arrhenius(A=(2e+06,'cm^3/(mol*s)'), n=1.8, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(600,'K')), rank = 11, @@ -42032,8 +41899,8 @@ ) entry( - index = 3012, - label = "H2O2 + C2H3O <=> C2H4O + HO2_r3", + index = 3003, + label = "H2O2 + C2H3O-3 <=> C2H4O-3 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(8.66e-06,'cm^3/(mol*s)'), n=5.09, Ea=(164.32,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -42049,8 +41916,8 @@ ) entry( - index = 3013, - label = "H2O2 + C3H5O <=> C3H6O + HO2_r3", + index = 3004, + label = "H2O2 + C3H5O-2 <=> C3H6O-2 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(3.24e-11,'cm^3/(mol*s)'), n=6.525, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -42066,8 +41933,8 @@ ) entry( - index = 3014, - label = "H2O2 + C4H7O-7 <=> C4H8O-7 + HO2_r3", + index = 3005, + label = "H2O2 + C4H7O-7 <=> C4H8O-7 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.66e-07,'cm^3/(mol*s)'), n=5.407, Ea=(0.16736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, @@ -42083,8 +41950,8 @@ ) entry( - index = 3015, - label = "H2O2 + C3H7 <=> C3H8 + HO2_r3", + index = 3006, + label = "H2O2 + C3H7-2 <=> C3H8-2 + HO2", degeneracy = 2.0, kinetics = Arrhenius(A=(1.66e-07,'cm^3/(mol*s)'), n=5.407, Ea=(0.16736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, @@ -42101,8 +41968,8 @@ ) entry( - index = 3016, - label = "OH + C4H8-4 <=> H2O + C4H7-4", + index = 3007, + label = "HO + C4H8-5 <=> H2O + C4H7-5", degeneracy = 2.0, kinetics = Arrhenius(A=(67,'cm^3/(mol*s)'), n=3.475, Ea=(-11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -42117,8 +41984,8 @@ ) entry( - index = 3017, - label = "OH + C4H8-2 <=> H2O + C4H7-2", + index = 3008, + label = "HO + C4H8-3 <=> H2O + C4H7-3", degeneracy = 6.0, kinetics = Arrhenius(A=(12.18,'cm^3/(mol*s)'), n=3.774, Ea=(-6.23416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -42133,8 +42000,8 @@ ) entry( - index = 3018, - label = "OH + C4H8 <=> H2O + C4H7", + index = 3009, + label = "HO + C4H8-2 <=> H2O + C4H7-2", degeneracy = 6.0, kinetics = Arrhenius(A=(12,'cm^3/(mol*s)'), n=3.594, Ea=(-4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, @@ -42149,8 +42016,8 @@ ) entry( - index = 3019, - label = "H + H2 <=> H2 + H", + index = 3010, + label = "H + H2-2 <=> H2 + H-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, @@ -42166,8 +42033,8 @@ ) entry( - index = 3020, - label = "OH + H2O <=> H2O + OH_p23", + index = 3011, + label = "HO + H2O-2 <=> H2O + HO-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.417e-07,'cm^3/(mol*s)'), n=5.48, Ea=(1.14642,'kJ/mol'), T0=(1,'K'), Tmin=(200,'K'), Tmax=(700,'K')), rank = 6, @@ -42194,8 +42061,8 @@ ) entry( - index = 3021, - label = "HO2_r3 + H2O2 <=> H2O2 + HO2_r3", + index = 3012, + label = "HO2-2 + H2O2 <=> H2O2-2 + HO2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.092,'cm^3/(mol*s)','*|/',3), n=3.96, Ea=(27.7399,'kJ/mol'), T0=(1,'K'), Tmin=(600,'K'), Tmax=(2000,'K')), rank = 6, @@ -42214,8 +42081,8 @@ ) entry( - index = 3022, - label = "H + H2 <=> H2 + H", + index = 3013, + label = "H + H2-2 <=> H2 + H-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.472,'cm^3/(mol*s)'), n=4.34, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42229,8 +42096,8 @@ ) entry( - index = 3023, - label = "CH3_r3 + CH4b <=> CH4b + CH3_p23", + index = 3014, + label = "CH3-2 + CH4 <=> CH4-2 + CH3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00518,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42244,8 +42111,8 @@ ) entry( - index = 3024, - label = "C2H5 + C2H6 <=> C2H6 + C2H5", + index = 3015, + label = "C2H5-2 + C2H6 <=> C2H6-2 + C2H5", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00092,'cm^3/(mol*s)'), n=4.34, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42259,8 +42126,8 @@ ) entry( - index = 3025, - label = "C3H7 + C3H8 <=> C3H8 + C3H7", + index = 3016, + label = "C3H7-2 + C3H8 <=> C3H8-2 + C3H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000865,'cm^3/(mol*s)'), n=4.34, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42274,8 +42141,8 @@ ) entry( - index = 3026, - label = "C4H9-4 + iC4H10b <=> iC4H10b + C4H9-4", + index = 3017, + label = "C4H9-5 + C4H10-4 <=> C4H10-5 + C4H9-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000542,'cm^3/(mol*s)'), n=4.34, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42289,8 +42156,8 @@ ) entry( - index = 3027, - label = "C3H5 + C3H6 <=> C3H6 + C3H5", + index = 3018, + label = "C3H5-3 + C3H6 <=> C3H6-3 + C3H5", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00145,'cm^3/(mol*s)'), n=4.34, Ea=(56.9024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42304,8 +42171,8 @@ ) entry( - index = 3028, - label = "C4H7-4 + C4H8-4 <=> C4H8-4 + C4H7-4", + index = 3019, + label = "C4H7-10 + C4H8-5 <=> C4H8-10 + C4H7-5", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00229,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42319,8 +42186,8 @@ ) entry( - index = 3029, - label = "C5H9-5 + C5H10-3 <=> C5H10-3 + C5H9-5", + index = 3020, + label = "C5H9-6 + C5H10-3 <=> C5H10-6 + C5H9-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000119,'cm^3/(mol*s)'), n=4.34, Ea=(34.7272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42334,8 +42201,8 @@ ) entry( - index = 3030, - label = "C5H8-2 + C5H7-2 <=> C5H8-2 + C5H7-2", + index = 3021, + label = "C5H8-4 + C5H7-2 <=> C5H8-2 + C5H7-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000391,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42349,8 +42216,8 @@ ) entry( - index = 3031, - label = "C6H9 + C6H10 <=> C6H10 + C6H9", + index = 3022, + label = "C6H9 + C6H10-2 <=> C6H10 + C6H9-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.92e-06,'cm^3/(mol*s)'), n=4.34, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42364,8 +42231,8 @@ ) entry( - index = 3032, - label = "C3H4 + C3H3-2 <=> C3H4 + C3H3-2", + index = 3023, + label = "C3H4-2 + C3H3-3 <=> C3H4-3 + C3H3-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00571,'cm^3/(mol*s)'), n=4.34, Ea=(48.9528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42379,8 +42246,8 @@ ) entry( - index = 3033, - label = "C4H6 + C4H5-5 <=> C4H6 + C4H5-5", + index = 3024, + label = "C4H6 + C4H5-6 <=> C4H6-6 + C4H5", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00166,'cm^3/(mol*s)'), n=4.34, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42394,8 +42261,8 @@ ) entry( - index = 3034, - label = "C5H7-3 + C5H8 <=> C5H8 + C5H7-3", + index = 3025, + label = "C5H7-3 + C5H8 <=> C5H8-3 + C5H7", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000324,'cm^3/(mol*s)'), n=4.34, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42409,8 +42276,8 @@ ) entry( - index = 3035, - label = "C5H3 + C5H4 <=> C5H4 + C5H3", + index = 3026, + label = "C5H3 + C5H4-2 <=> C5H4 + C5H3-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00403,'cm^3/(mol*s)'), n=4.34, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42424,8 +42291,8 @@ ) entry( - index = 3036, - label = "C6H6-2 + C6H5-2 <=> C6H6-2 + C6H5-2", + index = 3027, + label = "C6H6-4 + C6H5-3 <=> C6H6-3 + C6H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(8.1e-05,'cm^3/(mol*s)'), n=4.34, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42439,8 +42306,8 @@ ) entry( - index = 3037, - label = "C7H7 + C7H8 <=> C7H8 + C7H7", + index = 3028, + label = "C7H7-5 + C7H8 <=> C7H8-5 + C7H7", degeneracy = 3.0, kinetics = Arrhenius(A=(0.00342,'cm^3/(mol*s)'), n=4.34, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42452,8 +42319,8 @@ ) entry( - index = 3038, - label = "C8H9 + C8H10 <=> C8H10 + C8H9", + index = 3029, + label = "C8H9-2 + C8H10 <=> C8H10-2 + C8H9", degeneracy = 2.0, kinetics = Arrhenius(A=(0.00095,'cm^3/(mol*s)'), n=4.34, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42465,8 +42332,8 @@ ) entry( - index = 3039, - label = "C9H11 + C9H12 <=> C9H12 + C9H11", + index = 3030, + label = "C9H11-2 + C9H12 <=> C9H12-2 + C9H11", degeneracy = 1.0, kinetics = Arrhenius(A=(9.08e-06,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42478,8 +42345,8 @@ ) entry( - index = 3040, - label = "C2H3 + C2H4 <=> C2H4 + C2H3", + index = 3031, + label = "C2H3 + C2H4-2 <=> C2H4 + C2H3-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00925,'cm^3/(mol*s)'), n=4.34, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42493,8 +42360,8 @@ ) entry( - index = 3041, - label = "C3H5-2 + C3H6-2 <=> C3H6-2 + C3H5-2", + index = 3032, + label = "C3H5-2 + C3H6-6 <=> C3H6-2 + C3H5-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00556,'cm^3/(mol*s)'), n=4.34, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42508,8 +42375,8 @@ ) entry( - index = 3042, - label = "C4H5-3 + C4H6-4 <=> C4H6-4 + C4H5-3", + index = 3033, + label = "C4H5-7 + C4H6-4 <=> C4H6-7 + C4H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0043,'cm^3/(mol*s)'), n=4.34, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42523,8 +42390,8 @@ ) entry( - index = 3043, - label = "C6H5 + C6H6 <=> C6H6 + C6H5", + index = 3034, + label = "C6H5-2 + C6H6 <=> C6H6-2 + C6H5", degeneracy = 6.0, kinetics = Arrhenius(A=(0.0864,'cm^3/(mol*s)'), n=4.34, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42536,8 +42403,8 @@ ) entry( - index = 3044, - label = "C3H3 + C3H4-1 <=> C3H4-1 + C3H3", + index = 3035, + label = "C3H3-4 + C3H4 <=> C3H4-4 + C3H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0308,'cm^3/(mol*s)'), n=4.34, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42551,8 +42418,8 @@ ) entry( - index = 3045, - label = "CH3S-2 + CH3SH_r2 <=> CH3SH_r2 + CH3S-2", + index = 3036, + label = "CH3S-4 + CH4S-2 <=> CH4S-4 + CH3S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000139,'cm^3/(mol*s)'), n=4.34, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42566,8 +42433,8 @@ ) entry( - index = 3046, - label = "C4H3 + C4H4 <=> C4H4 + C4H3", + index = 3037, + label = "C4H3-2 + C4H4 <=> C4H4-2 + C4H3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000816,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42581,8 +42448,8 @@ ) entry( - index = 3047, - label = "C2H5S + C2H6S <=> C2H6S + C2H5S", + index = 3038, + label = "C2H5S + C2H6S-2 <=> C2H6S + C2H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000844,'cm^3/(mol*s)'), n=4.34, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42596,8 +42463,8 @@ ) entry( - index = 3048, - label = "C3H7S + C3H8S <=> C3H8S + C3H7S", + index = 3039, + label = "C3H7S + C3H8S-2 <=> C3H8S + C3H7S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000162,'cm^3/(mol*s)'), n=4.34, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42611,8 +42478,8 @@ ) entry( - index = 3049, - label = "C2H3S-2 + C2H4S-2 <=> C2H4S-2 + C2H3S-2", + index = 3040, + label = "C2H3S-2 + C2H4S-5 <=> C2H4S-2 + C2H3S-5", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00281,'cm^3/(mol*s)'), n=4.34, Ea=(80.7512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42626,8 +42493,8 @@ ) entry( - index = 3050, - label = "C3H5S + C3H6S <=> C3H6S + C3H5S", + index = 3041, + label = "C3H5S-3 + C3H6S <=> C3H6S-3 + C3H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00289,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42641,8 +42508,8 @@ ) entry( - index = 3051, - label = "C4H7S + C4H8S <=> C4H8S + C4H7S", + index = 3042, + label = "C4H7S + C4H8S-3 <=> C4H8S + C4H7S-3", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000273,'cm^3/(mol*s)'), n=4.34, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42656,8 +42523,8 @@ ) entry( - index = 3052, - label = "C2H3S-3 + C2H4S-3 <=> C2H4S-3 + C2H3S-3", + index = 3043, + label = "C2H3S-3 + C2H4S-6 <=> C2H4S-3 + C2H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00297,'cm^3/(mol*s)'), n=4.34, Ea=(-15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42671,8 +42538,8 @@ ) entry( - index = 3053, - label = "C3H3S + C3H4S <=> C3H4S + C3H3S", + index = 3044, + label = "C3H3S + C3H4S-4 <=> C3H4S + C3H3S-4", degeneracy = 1.0, kinetics = Arrhenius(A=(0.051,'cm^3/(mol*s)'), n=4.34, Ea=(84.0984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42686,8 +42553,8 @@ ) entry( - index = 3054, - label = "C3H5S-2 + C3H6S-2 <=> C3H6S-2 + C3H5S-2", + index = 3045, + label = "C3H5S-4 + C3H6S-2 <=> C3H6S-4 + C3H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00134,'cm^3/(mol*s)'), n=4.34, Ea=(33.472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42701,8 +42568,8 @@ ) entry( - index = 3055, - label = "C3H5S2 + C3H6S2 <=> C3H6S2 + C3H5S2", + index = 3046, + label = "C3H5S2 + C3H6S2-2 <=> C3H6S2 + C3H5S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000174,'cm^3/(mol*s)'), n=4.34, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42716,8 +42583,8 @@ ) entry( - index = 3056, - label = "C2H3S2 + C2H4S2 <=> C2H4S2 + C2H3S2", + index = 3047, + label = "C2H3S2 + C2H4S2-2 <=> C2H4S2 + C2H3S2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00145,'cm^3/(mol*s)'), n=4.34, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42731,8 +42598,8 @@ ) entry( - index = 3057, - label = "C3H3S-2 + C3H4S-2 <=> C3H4S-2 + C3H3S-2", + index = 3048, + label = "C3H3S-2 + C3H4S-5 <=> C3H4S-2 + C3H3S-5", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00118,'cm^3/(mol*s)'), n=4.34, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42746,8 +42613,8 @@ ) entry( - index = 3058, - label = "C4H6S + C4H5S <=> C4H6S + C4H5S", + index = 3049, + label = "C4H6S-2 + C4H5S <=> C4H6S + C4H5S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.000354,'cm^3/(mol*s)'), n=4.34, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42761,8 +42628,8 @@ ) entry( - index = 3059, - label = "C7H7S + C7H8S <=> C7H8S + C7H7S", + index = 3050, + label = "C7H7S + C7H8S-2 <=> C7H8S + C7H7S-2", degeneracy = 2.0, kinetics = Arrhenius(A=(0.000424,'cm^3/(mol*s)'), n=4.34, Ea=(26.3592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42774,8 +42641,8 @@ ) entry( - index = 3060, - label = "C8H9S + C8H10S <=> C8H10S + C8H9S", + index = 3051, + label = "C8H9S + C8H10S-2 <=> C8H10S + C8H9S-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.7e-05,'cm^3/(mol*s)'), n=4.34, Ea=(2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42787,8 +42654,8 @@ ) entry( - index = 3061, - label = "CHS + CH2S <=> CH2S + CHS", + index = 3052, + label = "CHS + CH2S-2 <=> CH2S + CHS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0548,'cm^3/(mol*s)'), n=4.34, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42802,8 +42669,8 @@ ) entry( - index = 3062, - label = "C2H4S + C2H3S <=> C2H4S + C2H3S", + index = 3053, + label = "C2H4S + C2H3S-4 <=> C2H4S-4 + C2H3S", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0141,'cm^3/(mol*s)'), n=4.34, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42817,8 +42684,8 @@ ) entry( - index = 3063, - label = "CHS2 + CH2S2 <=> CH2S2 + CHS2", + index = 3054, + label = "CHS2 + CH2S2-2 <=> CH2S2 + CHS2-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00677,'cm^3/(mol*s)'), n=4.34, Ea=(38.9112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42832,8 +42699,8 @@ ) entry( - index = 3064, - label = "C3H3S-3 + C3H4S-3 <=> C3H4S-3 + C3H3S-3", + index = 3055, + label = "C3H3S-3 + C3H4S-6 <=> C3H4S-3 + C3H3S-6", degeneracy = 1.0, kinetics = Arrhenius(A=(0.00797,'cm^3/(mol*s)'), n=4.34, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42847,8 +42714,8 @@ ) entry( - index = 3065, - label = "C3H2S + C3HS <=> C3H2S + C3HS", + index = 3056, + label = "C3H2S-2 + C3HS <=> C3H2S + C3HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(0.0268,'cm^3/(mol*s)'), n=4.34, Ea=(66.1072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42862,8 +42729,8 @@ ) entry( - index = 3066, - label = "SH + H2S_r <=> H2S_r + SH", + index = 3057, + label = "HS + H2S-2 <=> H2S + HS-2", degeneracy = 1.0, kinetics = Arrhenius(A=(301,'cm^3/(mol*s)'), n=3.15, Ea=(18.4096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42877,8 +42744,8 @@ ) entry( - index = 3067, - label = "CH3SH_r1 + CH3S <=> CH3SH_r1 + CH3S", + index = 3058, + label = "CH4S + CH3S-3 <=> CH4S-3 + CH3S", degeneracy = 1.0, kinetics = Arrhenius(A=(668,'cm^3/(mol*s)'), n=3.15, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42892,8 +42759,8 @@ ) entry( - index = 3068, - label = "C2H4S-4 + C2H3S-4 <=> C2H4S-4 + C2H3S-4", + index = 3059, + label = "C2H4S-7 + C2H3S-8 <=> C2H4S-8 + C2H3S-7", degeneracy = 1.0, kinetics = Arrhenius(A=(789,'cm^3/(mol*s)'), n=3.15, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42907,8 +42774,8 @@ ) entry( - index = 3069, - label = "C2HS + C2H2S <=> C2H2S + C2HS", + index = 3060, + label = "C2HS-2 + C2H2S <=> C2H2S-2 + C2HS", degeneracy = 1.0, kinetics = Arrhenius(A=(4210,'cm^3/(mol*s)'), n=3.15, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42922,8 +42789,8 @@ ) entry( - index = 3070, - label = "C6H6S + C6H5S <=> C6H6S + C6H5S", + index = 3061, + label = "C6H6S + C6H5S-2 <=> C6H6S-2 + C6H5S", degeneracy = 1.0, kinetics = Arrhenius(A=(189,'cm^3/(mol*s)'), n=3.15, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42935,8 +42802,8 @@ ) entry( - index = 3071, - label = "HSS_r3 + HSSH_r12 <=> HSSH_r12 + HSS_r3", + index = 3062, + label = "HS2-2 + H2S2-2 <=> H2S2 + HS2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(113,'cm^3/(mol*s)'), n=3.15, Ea=(1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, @@ -42950,8 +42817,8 @@ ) entry( - index = 3072, - label = "NO3 + C3H4 <=> C3H3-2_p + HNO3_p", + index = 3063, + label = "NO3-2 + C3H4-2 <=> C3H3-2 + HNO3-2", degeneracy = 6.0, kinetics = Arrhenius(A=(4.86,'m^3/(mol*s)'), n=1.87, Ea=(32393.6,'J/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -42965,8 +42832,8 @@ ) entry( - index = 3073, - label = "HNO2 + H <=> H2_p + NO2_p", + index = 3064, + label = "HNO2-3 + H <=> H2 + NO2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.5, Ea=(4.16,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -42978,8 +42845,8 @@ ) entry( - index = 3074, - label = "HNO2 + O_rad <=> OH_p23 + NO2_p", + index = 3065, + label = "HNO2-3 + O <=> HO-2 + NO2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(1.7e+08,'cm^3/(mol*s)'), n=1.5, Ea=(2.36,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -42991,8 +42858,8 @@ ) entry( - index = 3075, - label = "HNO2 + OH <=> H2O_p + NO2_p", + index = 3066, + label = "HNO2-3 + HO <=> H2O + NO2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e+06,'cm^3/(mol*s)'), n=2, Ea=(-0.79,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -43004,8 +42871,8 @@ ) entry( - index = 3076, - label = "HNO2 + CH3_r3 <=> CH4b + NO2_p", + index = 3067, + label = "HNO2-3 + CH3-2 <=> CH4-2 + NO2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(810000,'cm^3/(mol*s)'), n=1.87, Ea=(4.84,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -43017,8 +42884,8 @@ ) entry( - index = 3077, - label = "HNO2 + NH2_r3 <=> NH3_p23 + NO2_p", + index = 3068, + label = "HNO2-3 + H2N-2 <=> H3N-2 + NO2-3", degeneracy = 1.0, kinetics = Arrhenius(A=(920000,'cm^3/(mol*s)'), n=1.94, Ea=(0.87,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 1, @@ -43030,8 +42897,8 @@ ) entry( - index = 3078, - label = "N2H3_r12 + NH2_r3 <=> H2NN(T)_p1 + NH3_p23", + index = 3069, + label = "H3N2-2 + H2N-2 <=> H2N2-2 + H3N-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.65,'cm^3/(mol*s)'), n=3.41, Ea=(-4,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.13644, dn = +|- 0.0159552, dEa = +|- 0.120945 kJ/mol"""), rank = 3, @@ -43046,8 +42913,8 @@ ) entry( - index = 3079, - label = "H2NN(T)_r3 + NH3_r <=> N2H3_p23 + NH2_p1", + index = 3070, + label = "H2N2-3 + H3N <=> H3N2-3 + H2N", degeneracy = 3.0, kinetics = Arrhenius(A=(7.14,'cm^3/(mol*s)'), n=3.59, Ea=(81.1,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.04766, dn = +|- 0.00580835, dEa = +|- 0.044029 kJ/mol"""), rank = 3, @@ -43062,8 +42929,8 @@ ) entry( - index = 3080, - label = "N2H3_r3 + NH2_r12 <=> N2H4_p23 + NH_p1", + index = 3071, + label = "H3N2-4 + H2N-4 <=> H4N2-2 + HN-3", degeneracy = 2.0, kinetics = Arrhenius(A=(0.231,'cm^3/(mol*s)'), n=3.93, Ea=(70.1,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(3000,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.2035, dn = +|- 0.0225658, dEa = +|- 0.225133 kJ/mol"""), rank = 3, @@ -43078,8 +42945,8 @@ ) entry( - index = 3081, - label = "N2H4_r12 + NH_r3 <=> N2H3_p1 + NH2_p23", + index = 3072, + label = "H4N2 + HN-2 <=> H3N2 + H2N-3", degeneracy = 4.0, kinetics = Arrhenius(A=(29.8,'cm^3/(mol*s)'), n=3.61, Ea=(24.3,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(3000,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.21122, dn = +|- 0.0233453, dEa = +|- 0.232911 kJ/mol"""), rank = 3, @@ -43094,8 +42961,8 @@ ) entry( - index = 3082, - label = "NH2_r12 + N2H2(T)_r3 = NH_p1 + N2H3_p23", + index = 3073, + label = "H2N-4 + H2N2-4 <=> HN-3 + H3N2-5", degeneracy = 2.0, kinetics = Arrhenius(A=(0.422,'cm^3/(mol*s)'), n=3.93, Ea=(70.1,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(3000,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.35051, dn = +|- 0.0366059, dEa = +|- 0.365208 kJ/mol"""), rank = 3, @@ -43110,8 +42977,8 @@ ) entry( - index = 3083, - label = "NH_r3 + N2H3_r12b <=> NH2_p23 + N2H2(T)_p1", + index = 3074, + label = "HN-2 + H3N2-6 <=> H2N-3 + H2N2-5", degeneracy = 4.0, kinetics = Arrhenius(A=(0.353,'cm^3/(mol*s)'), n=3.81, Ea=(40,'kJ/mol'), T0=(1,'K'), Tmin=(500,'K'), Tmax=(3000,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.40215, dn = +|- 0.0411776, dEa = +|- 0.410819 kJ/mol"""), rank = 3, @@ -43126,8 +42993,8 @@ ) entry( - index = 3084, - label = "DMS + H <=> DMSrad + H2", + index = 3075, + label = "C2H6S-3 + H <=> C2H5S-3 + H2", degeneracy = 6.0, kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.79, Ea=(16.8,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43139,8 +43006,8 @@ ) entry( - index = 3085, - label = "DMS + CH3_r3 <=> DMSrad + CH4", + index = 3076, + label = "C2H6S-3 + CH3-2 <=> C2H5S-3 + CH4-2", degeneracy = 6.0, kinetics = Arrhenius(A=(0.000116,'cm^3/(mol*s)'), n=4.96, Ea=(19.9,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43152,8 +43019,8 @@ ) entry( - index = 3086, - label = "DMSO + H <=> DMSOrad + H2", + index = 3077, + label = "C2H6OS-2 + H <=> C2H5OS-2 + H2", degeneracy = 6.0, kinetics = Arrhenius(A=(497,'cm^3/(mol*s)'), n=2.95, Ea=(28.4,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.46606, dn = +|- 0.0488369, dEa = +|- 0.308498 kJ/mol"""), rank = 3, @@ -43165,8 +43032,8 @@ ) entry( - index = 3087, - label = "DMSO + OH <=> DMSOrad + H2O", + index = 3078, + label = "C2H6OS-2 + HO <=> C2H5OS-2 + H2O", degeneracy = 6.0, kinetics = Arrhenius(A=(1.3,'cm^3/(mol*s)'), n=3.18, Ea=(-17.6,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.27444, dn = +|- 0.030956, dEa = +|- 0.195546 kJ/mol"""), rank = 3, @@ -43178,8 +43045,8 @@ ) entry( - index = 3088, - label = "DMSO + CH3_r3 <=> DMSOrad + CH4", + index = 3079, + label = "C2H6OS-2 + CH3-2 <=> C2H5OS-2 + CH4-2", degeneracy = 6.0, kinetics = Arrhenius(A=(1.25e-06,'cm^3/(mol*s)'), n=5.04, Ea=(23.6,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.30379, dn = +|- 0.0338626, dEa = +|- 0.213907 kJ/mol"""), rank = 3, @@ -43191,8 +43058,8 @@ ) entry( - index = 3089, - label = "DMSO2 + H <=> DMSO2rad + H2", + index = 3080, + label = "C2H6O2S + H <=> C2H5O2S + H2", degeneracy = 6.0, kinetics = Arrhenius(A=(608,'cm^3/(mol*s)'), n=2.96, Ea=(39.3,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.439, dn = +|- 0.0464588, dEa = +|- 0.293476 kJ/mol"""), rank = 3, @@ -43204,8 +43071,8 @@ ) entry( - index = 3090, - label = "DMSO2 + OH <=> DMSO2rad + H2O", + index = 3081, + label = "C2H6O2S + HO <=> C2H5O2S + H2O", degeneracy = 6.0, kinetics = Arrhenius(A=(0.247,'cm^3/(mol*s)'), n=3.68, Ea=(4.5,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.18724, dn = +|- 0.0219085, dEa = +|- 0.138394 kJ/mol"""), rank = 3, @@ -43217,8 +43084,8 @@ ) entry( - index = 3091, - label = "DMSO2 + CH3_r3 <=> DMSO2rad + CH4", + index = 3082, + label = "C2H6O2S + CH3-2 <=> C2H5O2S + CH4-2", degeneracy = 6.0, kinetics = Arrhenius(A=(1.13e-06,'cm^3/(mol*s)'), n=5.14, Ea=(29.7,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K'), comment="""Fitted to 51 data points; dA = *|/ 1.28286, dn = +|- 0.0317971, dEa = +|- 0.20086 kJ/mol"""), rank = 3, @@ -43230,8 +43097,8 @@ ) entry( - index = 3092, - label = "I_r3 + CH4b <=> HI_p23 + CH3_p1", + index = 3083, + label = "I + CH4 <=> HI + CH3", degeneracy = 1.0, kinetics = Arrhenius(A=(2.1e-17,'cm^3/(molecule*s)'), n=2.53, Ea=(135.9,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43246,8 +43113,8 @@ ) entry( - index = 3093, - label = "HI_r12 + CH3_r3 <=> CH4p + I_p1", + index = 3084, + label = "HI-2 + CH3-2 <=> CH4-2 + I-2", degeneracy = 1.0, kinetics = Arrhenius(A=(2.7e-19,'cm^3/(molecule*s)'), n=2.38, Ea=(-5.3,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43262,8 +43129,8 @@ ) entry( - index = 3094, - label = "I_r3 + H2 <=> HI_p23 + H_p", + index = 3085, + label = "I + H2-2 <=> HI + H-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4e-16,'cm^3/(molecule*s)'), n=1.93, Ea=(128.2,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43278,8 +43145,8 @@ ) entry( - index = 3095, - label = "HI_r12 + H <=> H2_p + I_p1", + index = 3086, + label = "HI-2 + H <=> H2 + I-2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.6e-16,'cm^3/(molecule*s)'), n=1.68, Ea=(-2.3,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43294,8 +43161,8 @@ ) entry( - index = 3096, - label = "I_r3 + H2O <=> HI_p23 + OH_p1", + index = 3087, + label = "I + H2O-2 <=> HI + HO-3", degeneracy = 1.0, kinetics = Arrhenius(A=(5.2e-17,'cm^3/(molecule*s)'), n=2.26, Ea=(181.2,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43310,8 +43177,8 @@ ) entry( - index = 3097, - label = "HI_r12 + OH <=> H2O_p + I_p1", + index = 3088, + label = "HI-2 + HO <=> H2O + I-2", degeneracy = 1.0, kinetics = Arrhenius(A=(1.2e-17,'cm^3/(molecule*s)'), n=2.09, Ea=(-7.9,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43326,8 +43193,8 @@ ) entry( - index = 3098, - label = "I_r3 + HO <=> HI_p23 + O_rad_p", + index = 3089, + label = "I + HO-4 <=> HI + O-2", degeneracy = 1.0, kinetics = Arrhenius(A=(4.7e-16,'cm^3/(molecule*s)'), n=1.7, Ea=(124.4,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43342,8 +43209,8 @@ ) entry( - index = 3099, - label = "HI_r12 + O_rad <=> OH_p23 + I_p1", + index = 3090, + label = "HI-2 + O <=> HO-2 + I-2", degeneracy = 1.0, kinetics = Arrhenius(A=(9.6e-16,'cm^3/(molecule*s)'), n=1.5, Ea=(4.9,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43358,8 +43225,8 @@ ) entry( - index = 3100, - label = "I_r3 + H2O2 <=> HI_p23 + HO2", + index = 3091, + label = "I + H2O2 <=> HI + HO2", degeneracy = 1.0, kinetics = Arrhenius(A=(3.57e-24,'cm^3/(molecule*s)'), n=3.59, Ea=(73.83,'kJ/mol'), T0=(1,'K'), Tmin=(250,'K'), Tmax=(2500,'K')), rank = 3, @@ -43373,8 +43240,8 @@ ) entry( - index = 3101, - label = "I_r3 + C3H6 <=> HI_p23 + vC3H5", + index = 3092, + label = "I + C3H6-4 <=> HI + C3H5-4", degeneracy = 1.0, kinetics = Arrhenius(A=(2.96e-11,'cm^3/(molecule*s)'), n=0, Ea=(75.5,'kJ/mol'), T0=(1,'K'), Tmin=(481,'K'), Tmax=(573,'K')), rank = 1, @@ -43390,8 +43257,8 @@ ) entry( - index = 3102, - label = "I_r3 + C2H6 <=> HI_p23 + C2H5b", + index = 3093, + label = "I + C2H6 <=> HI + C2H5", degeneracy = 1.0, kinetics = Arrhenius(A=(2.21e-10,'cm^3/(molecule*s)'), n=0, Ea=(111,'kJ/mol'), T0=(1,'K'), Tmin=(503,'K'), Tmax=(618,'K')), rank = 1, @@ -43408,8 +43275,8 @@ ) entry( - index = 3103, - label = "HI_r12 + C6H5-2 <=> I_p1 + C6H6_p23", + index = 3094, + label = "HI-2 + C6H5-3 <=> I-2 + C6H6-3", degeneracy = 1.0, kinetics = Arrhenius(A=(5e-12,'cm^3/(molecule*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K')), reference = Article( @@ -43430,8 +43297,8 @@ ) entry( - index = 3104, - label = "OH + C4H10b <=> H2O + C4H9-2", + index = 3095, + label = "HO + C4H10 <=> H2O + C4H9", degeneracy = 4.0, kinetics = Arrhenius(A=(2.80023e+07,'cm^3/(mol*s)'), n=1.6, Ea=(1970.25,'J/mol'), T0=(1,'K'), Tmin=(235,'K'), Tmax=(1407,'K')), rank = 7, @@ -43445,8 +43312,8 @@ ) entry( - index = 3105, - label = "OH + C5H12-3 <=> H2O + C5H11-2", + index = 3096, + label = "HO + C5H12-3 <=> H2O + C5H11-3", degeneracy = 4.0, kinetics = Arrhenius(A=(1.41e+10,'cm^3/(mol*s)'), n=0.94, Ea=(504.7,'cal/mol'), T0=(1,'K')), rank = 10, @@ -43458,8 +43325,8 @@ ) entry( - index = 3106, - label = "OH + C5H12-4 <=> H2O + C5H11-3", + index = 3097, + label = "HO + C5H12-4 <=> H2O + C5H11-4", degeneracy = 2.0, kinetics = Arrhenius(A=(2.86045e+06,'cm^3/(mol*s)'), n=1.811, Ea=(-511,'cal/mol'), T0=(1,'K')), rank = 7, @@ -43473,10 +43340,10 @@ ) entry( - index = 3107, - label = "C6H5-3 + C6H5-3 <=> C6H6 + C6H4", + index = 3098, + label = "C6H5-5 + C6H5-2 <=> C6H6-2 + C6H4", degeneracy = 2.0, - kinetics = Arrhenius(A=(488, 'cm^3/(mol*s)'), n=2.9, Ea=(-2.786, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(488,'cm^3/(mol*s)'), n=2.9, Ea=(-2.786,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Tranter, R. S.', 'Klippenstein, S. J.', 'Harding, L. B.', 'Giri, B. R.', 'Yang, X.', 'Kiefer, J. H.'], title = 'Experimental and Theoretical Investigation of the Self-Reaction of Phenyl Radicals', @@ -43494,10 +43361,10 @@ ) entry( - index = 3108, - label = "C6H5-4 + C6H5-4 <=> C6H6 + C6H4-2", + index = 3099, + label = "C6H5-6 + C6H5-2 <=> C6H6-2 + C6H4-2", degeneracy = 1.0, - kinetics = Arrhenius(A=(78.3, 'cm^3/(mol*s)'), n=3.13, Ea=(0.982, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(78.3,'cm^3/(mol*s)'), n=3.13, Ea=(0.982,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Tranter, R. S.', 'Klippenstein, S. J.', 'Harding, L. B.', 'Giri, B. R.', 'Yang, X.', 'Kiefer, J. H.'], title = 'Experimental and Theoretical Investigation of the Self-Reaction of Phenyl Radicals', @@ -43514,197 +43381,16533 @@ """, ) +entry( + index = 3100, + label = "F + HO-4 <=> O-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3101, + label = "HO2-4 + F <=> O2-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.89e+12,'cm^3/(mol*s)'), n=0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3102, + label = "CH3F + O <=> CH2F + HO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3010,'cm^3/(mol*s)'), n=3.13, Ea=(4890,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3103, + label = "CH2F2 + O <=> CHF2 + HO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(13461,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3104, + label = "CHF2-2 + HO2-4 <=> CH2F2-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+13,'cm^3/(mol*s)'), n=0, Ea=(4990,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3105, + label = "C2H3F3 + CH2F-2 <=> C2H2F3 + CH3F-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(12000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3106, + label = "C2H3F3 + CF3-2 <=> C2H2F3 + CHF3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.45e+12,'cm^3/(mol*s)'), n=0, Ea=(13500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3107, + label = "C2H4F-3 + HO2-4 <=> C2H5F-3 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3108, + label = "C2H3F2-4 + HO2-4 <=> C2H4F2-4 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) entry( index = 3109, - label = "C6H6 + H <=> H2_p + C6H5_p1", - degeneracy = 6.0, - kinetics = Arrhenius( - A = (5.38e+09, 'cm^3/(mol*s)'), - n = 1.582, - Ea = (15.689, 'kcal/mol'), - T0 = (1, 'K'), - ), - reference = Article( - authors = ['Dingyu Hou', 'Xiaoqing You'], - title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', - journal = 'Physical Chemistry Chemical Physics', - volume = '19', - pages = '30772-30780', - year = '2017', - ), - referenceType = "theory", - rank = 3, - longDesc = -u""" -CCSD(T)/cc-pV(D,T)Z//B3LYP/6-311g(d,p) -Rate calculations using conventional TST, done with Multiwell 2016 -1D Eckart tunneling corrections -""", + label = "C2H4F-4 + HO2-4 <=> C2H5F-4 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", ) entry( index = 3110, - label = "C10H8 + H <=> H2_p + C10H7-3", - degeneracy = 4.0, - kinetics = Arrhenius( - A = (2.47e+09, 'cm^3/(mol*s)'), - n = 1.619, - Ea = (15.572, 'kcal/mol'), - T0 = (1, 'K'), - ), - reference = Article( - authors = ["Dingyu Hou", "Xiaoqing You"], - title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', - journal = "Physical Chemistry Chemical Physics", - volume = "19", - pages = "30772-30780", - year = "2017", - ), - referenceType = "theory", - rank = 5, - longDesc = -u""" -CCSD(T)/cc-pV(D,T)Z//B3LYP/6-311g(d,p) -Rate calculations using conventional TST, done with Multiwell 2016 -1D Eckart tunneling corrections -""", + label = "C2H2F3-4 + HO2-4 <=> C2H3F3-4 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", ) entry( index = 3111, - label = "C14H10 + H <=> H2_p + C14H9", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.33e+08, 'cm^3/(mol*s)'), - n = 1.658, - Ea = (16.676, 'kcal/mol'), - T0 = (1, 'K'), - ), - reference = Article( - authors = ["Dingyu Hou", "Xiaoqing You"], - title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', - journal = "Physical Chemistry Chemical Physics", - volume = "19", - pages = "30772-30780", - year = "2017", - ), - referenceType = "theory", - rank = 7, - longDesc = -u""" -M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) -Rate calculations using conventional TST, done with Multiwell 2016 -1D Eckart tunneling corrections -""", + label = "C2H3F2-6 + HO2-4 <=> C2H4F2-6 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", ) entry( index = 3112, - label = "C14H10_p + H <=> H2_p + C14H9_p", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.63e+08, 'cm^3/(mol*s)'), - n = 1.692, - Ea = (16.133, 'kcal/mol'), - T0 = (1, 'K'), - ), - reference = Article( - authors = ["Dingyu Hou", "Xiaoqing You"], - title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', - journal = "Physical Chemistry Chemical Physics", - volume = "19", - pages = "30772-30780", - year = "2017", - ), - referenceType = "theory", - rank = 7, - longDesc = -u""" -M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) -Rate calculations using conventional TST, done with Multiwell 2016 -1D Eckart tunneling corrections -""", + label = "C2H2F3-5 + HO2-4 <=> C2H3F3-5 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", ) entry( index = 3113, - label = "C18H12 + H <=> H2_p + C18H11", - degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.03e+09, 'cm^3/(mol*s)'), - n = 1.716, - Ea = (16.304, 'kcal/mol'), - T0 = (1, 'K'), - ), - reference = Article( - authors = ["Dingyu Hou", "Xiaoqing You"], - title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', - journal = "Physical Chemistry Chemical Physics", - volume = "19", - pages = "30772-30780", - year = "2017", - ), - referenceType = "theory", - rank = 7, - longDesc = -u""" -M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) -Rate calculations using conventional TST, done with Multiwell 2016 -1D Eckart tunneling corrections -""", + label = "C2H2F3-6 + HO2-4 <=> C2H3F3-6 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", ) entry( index = 3114, - label = "C16H10 + H <=> H2_p + C16H9", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.08e+08, 'cm^3/(mol*s)'), - n = 1.665, - Ea = (16.222, 'kcal/mol'), - T0 = (1, 'K'), - ), - reference = Article( - authors = ["Dingyu Hou", "Xiaoqing You"], - title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', - journal = "Physical Chemistry Chemical Physics", - volume = "19", - pages = "30772-30780", - year = "2017", - ), - referenceType = "theory", - rank = 7, - longDesc = -u""" -M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) -Rate calculations using conventional TST, done with Multiwell 2016 -1D Eckart tunneling corrections -""", + label = "CH4 + F <=> CH3 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.9e+12,'cm^3/(mol*s)'), n=0.5, Ea=(450,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", ) entry( index = 3115, - label = "C22H14 + H <=> H2_p + C22H13", - degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.89e+09, 'cm^3/(mol*s)'), - n = 1.508, - Ea = (19.882, 'kcal/mol'), - T0 = (1, 'K'), - ), - reference = Article( - authors = ["Dingyu Hou", "Xiaoqing You"], - title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', - journal = "Physical Chemistry Chemical Physics", - volume = "19", - pages = "30772-30780", - year = "2017", - ), - referenceType = "theory", - rank = 7, - longDesc = -u""" + label = "CH3F + F <=> CH2F + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.35e+14,'cm^3/(mol*s)'), n=0, Ea=(1200,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3116, + label = "CH2F2 + F <=> CHF2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.13e+14,'cm^3/(mol*s)'), n=0, Ea=(4647,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3117, + label = "CH4O-2 + F <=> CH3O-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.62e+09,'cm^3/(mol*s)'), n=1.44, Ea=(-205,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3118, + label = "CH4O + F <=> CH3O + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.62e+07,'cm^3/(mol*s)'), n=1.97, Ea=(-300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3119, + label = "CH2O + F <=> CHO + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(2000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3120, + label = "C2H6 + F <=> C2H5 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3121, + label = "C2H5F + F <=> C2H4F + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3122, + label = "C2H4F2 + F <=> C2H3F2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.59e+15,'cm^3/(mol*s)'), n=0, Ea=(9100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3123, + label = "C2H3F3 + F <=> C2H2F3 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(4000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3124, + label = "C2H5F-2 + F <=> C2H4F-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(200,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3125, + label = "C2H4F2-3 + F <=> C2H3F2-3 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+14,'cm^3/(mol*s)'), n=0, Ea=(800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3126, + label = "C2H3F3-2 + F <=> C2H2F3-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+14,'cm^3/(mol*s)'), n=0, Ea=(800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3127, + label = "C2H2F4 + F <=> C2HF4 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(4500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3128, + label = "C2H4F2-2 + F <=> C2H3F2-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.77e+14,'cm^3/(mol*s)'), n=0, Ea=(6000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3129, + label = "C2H3F3-3 + F <=> C2H2F3-3 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(1200,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3130, + label = "C2H2F4-2 + F <=> C2HF4-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(125000,'cm^3/(mol*s)'), n=2.49, Ea=(790,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3131, + label = "C2HF5 + F <=> C2F5 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7110,'cm^3/(mol*s)'), n=2.72, Ea=(-910,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 3132, + label = "C2H4-2 + F <=> C2H3-2 + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(2000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3133, + label = "C2HF3O + F <=> C2F3O + FH", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(1000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3134, + label = "C3H3F3 + F <=> FH + C3H2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(5000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3135, + label = "C3H2F4 + O2 <=> C3HF4 + HO2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.02e+12,'cm^3/(mol*s)'), n=0, Ea=(57640,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3136, + label = "C3H2F4-2 + O2 <=> C3HF4-2 + HO2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.02e+12,'cm^3/(mol*s)'), n=0, Ea=(57640,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3137, + label = "C3H2F4-2 + H <=> C3HF4-2 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'cm^3/(mol*s)'), n=0, Ea=(18000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3138, + label = "C3H2F4 + F <=> FH + C3HF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(7000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3139, + label = "C3H2F4-3 + O2 <=> C3HF4-3 + HO2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.02e+12,'cm^3/(mol*s)'), n=0, Ea=(57640,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3140, + label = "C3H2F4-3 + H <=> C3HF4-3 + H2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5e+13,'cm^3/(mol*s)'), n=0, Ea=(16000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3141, + label = "F + C2H2O <=> FH + C2HO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(3000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 3142, + label = "C2H3 + C3H3F3-2 <=> C2H4 + C3H2F3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00145419,'cm^3/(mol*s)'), n=4.5882, Ea=(7.26766,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.5797, dn = +|- 0.0600713, dEa = +|- 0.326906 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3143, + label = "H + C3H3F <=> H2 + C3H2F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.03195e+09,'cm^3/(mol*s)'), n=1.89666, Ea=(127.092,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14416, dn = +|- 0.0176932, dEa = +|- 0.0962856 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3144, + label = "CF3-2 + C2H2F4O <=> CHF3-2 + C2HF4O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.221956,'cm^3/(mol*s)'), n=3.83707, Ea=(50.5919,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.09963, dn = +|- 0.0124776, dEa = +|- 0.0679024 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3145, + label = "CH3-2 + C2H3F3O <=> CH4-2 + C2H2F3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.036242,'cm^3/(mol*s)'), n=4.0444, Ea=(24.2264,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.31744, dn = +|- 0.0362201, dEa = +|- 0.197108 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3146, + label = "C2H3 + C3H3F3-3 <=> C2H4 + C3H2F3-3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00170263,'cm^3/(mol*s)'), n=4.42384, Ea=(5.45319,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.43559, dn = +|- 0.0475039, dEa = +|- 0.258514 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3147, + label = "H + CH3FO2 <=> H2 + CH2FO2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(16.0481,'cm^3/(mol*s)'), n=3.5703, Ea=(6.50348,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.95179, dn = +|- 0.0878602, dEa = +|- 0.478132 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3148, + label = "HO + C3H5F3 <=> H2O + C3H4F3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(237.363,'cm^3/(mol*s)'), n=3.1867, Ea=(-2.25444,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05181, dn = +|- 0.0066358, dEa = +|- 0.0361118 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3149, + label = "CH2F-2 + CH2F2O <=> CH3F-2 + CHF2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(36.2752,'cm^3/(mol*s)'), n=3.02511, Ea=(57.2852,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.19682, dn = +|- 0.0236048, dEa = +|- 0.128457 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3150, + label = "O + C3H3F3-4 <=> HO-2 + C3H2F3-4", + degeneracy = 3.0, + kinetics = Arrhenius(A=(7854.54,'cm^3/(mol*s)'), n=2.91646, Ea=(5.8362,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.35468, dn = +|- 0.0398826, dEa = +|- 0.21704 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3151, + label = "F + FHO <=> FH + FO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(24.5087,'cm^3/(mol*s)'), n=3.45285, Ea=(-1.77727,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.40988, dn = +|- 0.0451299, dEa = +|- 0.245595 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3152, + label = "CF3-2 + C2H4F2O <=> CHF3-2 + C2H3F2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.80818e-06,'cm^3/(mol*s)'), n=5.06357, Ea=(15.3898,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.94418, dn = +|- 0.0873465, dEa = +|- 0.475336 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3153, + label = "HO + CH2F2O2 <=> H2O + CHF2O2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(57.0131,'cm^3/(mol*s)'), n=3.29963, Ea=(-2.79105,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.07407, dn = +|- 0.0093878, dEa = +|- 0.051088 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3154, + label = "F + C3H6F2 <=> FH + C3H5F2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.62837e+08,'cm^3/(mol*s)'), n=1.562, Ea=(5.5896,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.00176, dn = +|- 0.000230847, dEa = +|- 0.00125626 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3155, + label = "HO2-2 + CH2F2O-2 <=> H2O2-2 + CHF2O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0657248,'cm^3/(mol*s)'), n=3.82471, Ea=(70.223,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06932, dn = +|- 0.008806, dEa = +|- 0.0479219 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3156, + label = "O2 + C3H2F6 <=> HO2-3 + C3HF6", + degeneracy = 2.0, + kinetics = Arrhenius(A=(247.777,'cm^3/(mol*s)'), n=3.51617, Ea=(238.008,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15068, dn = +|- 0.01844, dEa = +|- 0.10035 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3157, + label = "C2H3 + C3H5F <=> C2H4 + C3H4F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00239554,'cm^3/(mol*s)'), n=4.34627, Ea=(7.68914,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.42026, dn = +|- 0.046093, dEa = +|- 0.250836 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3158, + label = "C2H3 + C3H5F3 <=> C2H4 + C3H4F3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000464756,'cm^3/(mol*s)'), n=4.56467, Ea=(14.7603,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.63614, dn = +|- 0.0646836, dEa = +|- 0.352006 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3159, + label = "H + C2H2F2O <=> H2 + C2HF2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2314.49,'cm^3/(mol*s)'), n=3.12993, Ea=(6.9308,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.64426, dn = +|- 0.0653338, dEa = +|- 0.355544 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3160, + label = "C2H3 + C2H4F2O-2 <=> C2H4 + C2H3F2O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000325121,'cm^3/(mol*s)'), n=4.66352, Ea=(22.8022,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.77396, dn = +|- 0.0753087, dEa = +|- 0.409827 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3161, + label = "C2H3 + C2H2F2 <=> C2H4 + C2HF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0194305,'cm^3/(mol*s)'), n=4.36635, Ea=(42.2986,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.46978, dn = +|- 0.0505965, dEa = +|- 0.275344 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3162, + label = "HO2-2 + C2H2F4O-2 <=> H2O2-2 + C2HF4O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000987207,'cm^3/(mol*s)'), n=4.41779, Ea=(69.72,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.33224, dn = +|- 0.0376882, dEa = +|- 0.205098 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3163, + label = "HO + C2H3FO <=> H2O + C2H2FO", + degeneracy = 3.0, + kinetics = Arrhenius(A=(15.7919,'cm^3/(mol*s)'), n=3.51589, Ea=(-1.45293,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15329, dn = +|- 0.0187377, dEa = +|- 0.10197 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3164, + label = "O + C3H5F-2 <=> HO-2 + C3H4F-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(34753.5,'cm^3/(mol*s)'), n=2.90875, Ea=(29.8942,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.29021, dn = +|- 0.0334763, dEa = +|- 0.182177 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3165, + label = "CH2F-2 + C2HF3 <=> CH3F-2 + C2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.434877,'cm^3/(mol*s)'), n=3.90066, Ea=(74.9231,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.20255, dn = +|- 0.0242326, dEa = +|- 0.131873 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3166, + label = "C2H3 + CH3FO2-2 <=> C2H4 + CH2FO2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00314351,'cm^3/(mol*s)'), n=4.36268, Ea=(3.93447,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.36842, dn = +|- 0.0412085, dEa = +|- 0.224255 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3167, + label = "CH2F-2 + C3H4F2 <=> CH3F-2 + C3H3F2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0163312,'cm^3/(mol*s)'), n=4.07764, Ea=(66.8225,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.28576, dn = +|- 0.0330219, dEa = +|- 0.179704 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3168, + label = "CH2F-2 + C2H3FO <=> CH3F-2 + C2H2FO", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000425542,'cm^3/(mol*s)'), n=4.65506, Ea=(32.9957,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.93236, dn = +|- 0.0865453, dEa = +|- 0.470976 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3169, + label = "HO + C3H3F3 <=> H2O + C3H2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.51382,'cm^3/(mol*s)'), n=3.79022, Ea=(5.02123,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.34327, dn = +|- 0.0387715, dEa = +|- 0.210993 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3170, + label = "O + C2H5FO <=> HO-2 + C2H4FO", + degeneracy = 3.0, + kinetics = Arrhenius(A=(156.773,'cm^3/(mol*s)'), n=3.37863, Ea=(13.3746,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.64592, dn = +|- 0.0654666, dEa = +|- 0.356267 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3171, + label = "HO + C2HF3O-2 <=> H2O + C2F3O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(455.115,'cm^3/(mol*s)'), n=3.22754, Ea=(-0.81586,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.07561, dn = +|- 0.00957565, dEa = +|- 0.0521103 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3172, + label = "CH2F-2 + CH3FO <=> CH3F-2 + CH2FO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0013923,'cm^3/(mol*s)'), n=4.25832, Ea=(22.5362,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.39616, dn = +|- 0.0438452, dEa = +|- 0.238604 kJ/mol"""), + rank = 7, + shortDesc = """Calculated at m062x/cc-pVTZ level with AutoTST""", +) + +entry( + index = 3173, + label = "H + CHF <=> H2 + CF", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.3e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF + H <=> CF + H2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF + H <=> CF + H2 +""", +) + +entry( + index = 3174, + label = "F + H2O2 <=> FH + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.73e+12,'cm^3/(mol*s)'), n=0.5, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is H2O2 + F <=> HO2 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: H2O2 + F <=> HO2 + HF +""", +) + +entry( + index = 3175, + label = "O + CH3F <=> HO-2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(6.5e+07,'cm^3/(mol*s)'), n=1.5, Ea=(7000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3F + O <=> CH2F + OH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3F + O <=> CH2F + OH +""", +) + +entry( + index = 3176, + label = "O + CH2F2 <=> HO-2 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.25e+07,'cm^3/(mol*s)'), n=1.5, Ea=(6100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F2 + O <=> CHF2 + OH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F2 + O <=> CHF2 + OH +""", +) + +entry( + index = 3177, + label = "CHF2-2 + HO2-4 <=> CH2F2-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2 + HO2 <=> CH2F2 + O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2 + HO2 <=> CH2F2 + O2 +""", +) + +entry( + index = 3178, + label = "CF-2 + CH2O => CHF-2 + CHO", + degeneracy = 2.0, + reversible = False, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(8000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF + CH2O => CHF + HCO""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF + CH2O => CHF + HCO +""", +) + +entry( + index = 3179, + label = "F + CH2F2 <=> FH + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(1850,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F2 + F <=> CHF2 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F2 + F <=> CHF2 + HF +""", +) + +entry( + index = 3180, + label = "F + C2H4F2 <=> FH + C2H3F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1e+14,'cm^3/(mol*s)'), n=0, Ea=(800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CHF2 + F <=> CHF2-CH2 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CHF2 + F <=> CHF2-CH2 + HF +""", +) + +entry( + index = 3181, + label = "F + C2H2F4 <=> FH + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(1200,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2F-CF3 + F <=> CF3-CHF + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2F-CF3 + F <=> CF3-CHF + HF +""", +) + +entry( + index = 3182, + label = "F + C2H4F2-2 <=> FH + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3-CHF2 + F <=> CH3-CF2 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3-CHF2 + F <=> CH3-CF2 + HF +""", +) + +entry( + index = 3183, + label = "F + C2H2F4-2 <=> FH + C2HF4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(1200,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CHF2 + F <=> CHF2-CF2 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CHF2 + F <=> CHF2-CF2 + HF +""", +) + +entry( + index = 3184, + label = "F + C2HF5 <=> FH + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(1400,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2-CF3 + F <=> CF3-CF2 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CHF2-CF3 + F <=> CF3-CF2 + HF +""", +) + +entry( + index = 3185, + label = "CH3-2 + BrH <=> CH4-2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.39e+12,'cm^3/(mol*s)'), n=0, Ea=(-143,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HBR + CH3 <=> BR + CH4""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HBR + CH3 <=> BR + CH4 +""", +) + +entry( + index = 3186, + label = "C2H5-2 + BrH <=> C2H6-2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.4e+08,'cm^3/(mol*s)'), n=1.49, Ea=(-2810,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HBR + C2H5 <=> BR + C2H6""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HBR + C2H5 <=> BR + C2H6 +""", +) + +entry( + index = 3187, + label = "CH3O-4 + BrH <=> CH4O-4 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+12,'cm^3/(mol*s)'), n=0, Ea=(-785,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HBR + CH2OH <=> BR + CH3OH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HBR + CH2OH <=> BR + CH3OH +""", +) + +entry( + index = 3188, + label = "CF3-2 + BrH <=> CHF3-2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.63e+11,'cm^3/(mol*s)'), n=0, Ea=(2560,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3 + HBR <=> CHF3 + BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF3 + HBR <=> CHF3 + BR +""", +) + +entry( + index = 3189, + label = "Br-2 + HO2-4 <=> BrH-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.69e+09,'cm^3/(mol*s)'), n=1, Ea=(468,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BR + HO2 <=> HBR + O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BR + HO2 <=> HBR + O2 +""", +) + +entry( + index = 3190, + label = "HO + BrH <=> H2O + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+12,'cm^3/(mol*s)'), n=0, Ea=(-310,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HBR + OH <=> BR + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HBR + OH <=> BR + H2O +""", +) + +entry( + index = 3191, + label = "HO2-2 + BrH <=> H2O2-2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(420,'cm^3/(mol*s)'), n=2.93, Ea=(7677,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HBR + HO2 <=> BR + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HBR + HO2 <=> BR + H2O2 +""", +) + +entry( + index = 3192, + label = "Br-2 + CH2O <=> BrH-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.02e+13,'cm^3/(mol*s)'), n=0, Ea=(1600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BR + CH2O <=> HBR + HCO""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BR + CH2O <=> HBR + HCO +""", +) + +entry( + index = 3193, + label = "Br-2 + CH3-4 <=> BrH-2 + CH2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.1e+14,'cm^3/(mol*s)'), n=0, Ea=(22968,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3 + BR <=> CH2 + HBR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3 + BR <=> CH2 + HBR +""", +) + +entry( + index = 3194, + label = "BrO + HO2-4 <=> BrHO + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.7e+12,'cm^3/(mol*s)'), n=0, Ea=(-990,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BRO + HO2 <=> BROH + O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BRO + HO2 <=> BROH + O2 +""", +) + +entry( + index = 3195, + label = "BrO + BrH <=> BrHO + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HBR + BRO <=> BR + BROH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HBR + BRO <=> BR + BROH +""", +) + +entry( + index = 3196, + label = "HO2-2 + BrHO-2 <=> H2O2-2 + BrO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1,'cm^3/(mol*s)'), n=3.55, Ea=(13100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HO2 + BROH <=> BRO + H2O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: HO2 + BROH <=> BRO + H2O2 +""", +) + +entry( + index = 3197, + label = "O + CH3Br <=> HO-2 + CH2Br", + degeneracy = 3.0, + kinetics = Arrhenius(A=(170000,'cm^3/(mol*s)'), n=2.33, Ea=(4210,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O + CH3BR <=> CH2BR + OH""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: O + CH3BR <=> CH2BR + OH +""", +) + +entry( + index = 3198, + label = "CH2Br-2 + BrH <=> CH3Br-2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.5e+12,'cm^3/(mol*s)'), n=0, Ea=(1750,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2BR + HBR <=> CH3BR + BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2BR + HBR <=> CH3BR + BR +""", +) + +entry( + index = 3199, + label = "F + BrH <=> FH + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.71e+13,'cm^3/(mol*s)'), n=0, Ea=(165,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is F + HBR <=> HF + BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: F + HBR <=> HF + BR +""", +) + +entry( + index = 3200, + label = "Br-2 + C2H4O <=> BrH-2 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.83e+12,'cm^3/(mol*s)'), n=0, Ea=(715,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BR + CH3CHO <=> HBR + CH3CO""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BR + CH3CHO <=> HBR + CH3CO +""", +) + +entry( + index = 3201, + label = "Br-2 + CH2F2 <=> BrH-2 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.38e+13,'cm^3/(mol*s)'), n=0, Ea=(16580,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BR + CH2F2 <=> HBR + CHF2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BR + CH2F2 <=> HBR + CHF2 +""", +) + +entry( + index = 3202, + label = "Br-2 + CH3F <=> BrH-2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(5.45e+13,'cm^3/(mol*s)'), n=0, Ea=(16100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BR + CH3F <=> HBR + CH2F""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BR + CH3F <=> HBR + CH2F +""", +) + +entry( + index = 3203, + label = "CH2Br-2 + HO2-4 <=> CH3Br-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2BR + HO2 <=> CH3BR + O2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2BR + HO2 <=> CH3BR + O2 +""", +) + +entry( + index = 3204, + label = "Br-2 + C2H4-2 <=> BrH-2 + C2H3-2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(5e+12,'cm^3/(mol*s)'), n=0, Ea=(25000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BR + C2H4 <=> C2H3 + HBR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BR + C2H4 <=> C2H3 + HBR +""", +) + +entry( + index = 3205, + label = "CH3O-3 + BrH <=> CH4O-3 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(485000,'cm^3/(mol*s)'), n=1.9, Ea=(2590,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3O + HBR <=> CH3OH + BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3O + HBR <=> CH3OH + BR +""", +) + +entry( + index = 3206, + label = "F + CH3Br <=> FH + CH2Br", + degeneracy = 3.0, + kinetics = Arrhenius(A=(6e+13,'cm^3/(mol*s)'), n=0, Ea=(830,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is F + CH3BR <=> HF + CH2BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: F + CH3BR <=> HF + CH2BR +""", +) + +entry( + index = 3207, + label = "H + C3H2BrF3 <=> H2 + C3HBrF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8e+14,'cm^3/(mol*s)'), n=0, Ea=(14340,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BTP + H <=> CF3CBRCH + H2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BTP + H <=> CF3CBRCH + H2 +""", +) + +entry( + index = 3208, + label = "HO + C3H2BrF3 <=> H2O + C3HBrF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(5980,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BTP + OH <=> CF3CBRCH + H2O""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BTP + OH <=> CF3CBRCH + H2O +""", +) + +entry( + index = 3209, + label = "F + C3H8-3 <=> FH + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(3.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C3H8 + F <=> nC3H7 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C3H8 + F <=> nC3H7 + HF +""", +) + +entry( + index = 3210, + label = "F + C3H8 <=> FH + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C3H8 + F <=> iC3H7 + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C3H8 + F <=> iC3H7 + HF +""", +) + +entry( + index = 3211, + label = "Br-2 + C3H8-3 <=> BrH-2 + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(7e+13,'cm^3/(mol*s)'), n=0, Ea=(11000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C3H8 + BR <=> nC3H7 + HBR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C3H8 + BR <=> nC3H7 + HBR +""", +) + +entry( + index = 3212, + label = "Br-2 + C3H8 <=> BrH-2 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5.3e+13,'cm^3/(mol*s)'), n=0, Ea=(8600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C3H8 + BR <=> iC3H7 + HBR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C3H8 + BR <=> iC3H7 + HBR +""", +) + +entry( + index = 3213, + label = "F + C2H6O-4 <=> FH + C2H5O-4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5OH + F <=> CH3CH2O + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H5OH + F <=> CH3CH2O + HF +""", +) + +entry( + index = 3214, + label = "F + C2H6O <=> FH + C2H5O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5OH + F <=> CH3CHOH + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H5OH + F <=> CH3CHOH + HF +""", +) + +entry( + index = 3215, + label = "F + C2H6O-2 <=> FH + C2H5O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5OH + F <=> C2H4OH + HF""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H5OH + F <=> C2H4OH + HF +""", +) + +entry( + index = 3216, + label = "Br-2 + C2H6O <=> BrH-2 + C2H5O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(14000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5OH + BR <=> CH3CHOH + HBR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H5OH + BR <=> CH3CHOH + HBR +""", +) + +entry( + index = 3217, + label = "O + BrHO-2 <=> HO-2 + BrO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.2e+13,'cm^3/(mol*s)'), n=0, Ea=(854,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O + BROH <=> OH + BRO""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: O + BROH <=> OH + BRO +""", +) + +entry( + index = 3218, + label = "F + C4H10-2 <=> FH + C4H9-2", + degeneracy = 6.0, + kinetics = Arrhenius(A=(3.89e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C4H10 + F <=> pC4H9 + HF""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: C4H10 + F <=> pC4H9 + HF +""", +) + +entry( + index = 3219, + label = "F + C4H10 <=> FH + C4H9", + degeneracy = 4.0, + kinetics = Arrhenius(A=(4.68e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C4H10 + F <=> sC4H9 + HF""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: C4H10 + F <=> sC4H9 + HF +""", +) + +entry( + index = 3220, + label = "F + C4H10-3 <=> FH + C4H9-3", + degeneracy = 9.0, + kinetics = Arrhenius(A=(4.07e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is iC4H10 + F <=> iC4H9 + HF""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: iC4H10 + F <=> iC4H9 + HF +""", +) + +entry( + index = 3221, + label = "F + C4H10-4 <=> FH + C4H9-4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.75e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is iC4H10 + F <=> tC4H9 + HF""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: iC4H10 + F <=> tC4H9 + HF +""", +) + +entry( + index = 3222, + label = "F + C2H2O <=> FH + C2HO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is F + CH2CO <=> HF + HCCO""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: F + CH2CO <=> HF + HCCO +""", +) + +entry( + index = 3223, + label = "C4H4F6O + HO <=> C4H3F6O + H2O", + degeneracy = 4.0, + kinetics = Arrhenius(A=(7.407e+11,'cm^3/(mol*s)'), n=0, Ea=(1.35,'kcal/mol'), T0=(1,'K')), + rank = 5, + shortDesc = """M062X""", + longDesc = +""" +M. Lily et al. / Journal of Fluorine Chemistry 161 (2014) 51–59 +http://dx.doi.org/10.1016/j.jfluchem.2014.02.009 +""", +) + +entry( + index = 3224, + label = "Cl + HO2-4 <=> ClH + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.5e+14,'cm^3/(mol*s)'), n=-0.63, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HO2 + CL <=> O2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HO2 + CL <=> O2 + HCL +""", +) + +entry( + index = 3225, + label = "Cl + ClHO <=> ClH + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.36,'cm^3/(mol*s)'), n=4.07, Ea=(-337,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + HOCL <=> HCL + CLO""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CL + HOCL <=> HCL + CLO +""", +) + +entry( + index = 3226, + label = "ClO-2 + HO2-4 <=> ClHO-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7800,'cm^3/(mol*s)'), n=2.4, Ea=(5110,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HO2 + CLO <=> O2 + HOCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HO2 + CLO <=> O2 + HOCL +""", +) + +entry( + index = 3227, + label = "Cl + CH2O <=> ClH + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.9e+13,'cm^3/(mol*s)'), n=0, Ea=(68,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2O + CL <=> HCO + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2O + CL <=> HCO + HCL +""", +) + +entry( + index = 3228, + label = "Cl + CHClO <=> ClH + CClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.2e+12,'cm^3/(mol*s)'), n=0, Ea=(1620,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + CLCHO <=> HCL + CLCO""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CL + CLCHO <=> HCL + CLCO +""", +) + +entry( + index = 3229, + label = "Cl + CH3Cl <=> ClH + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.81e+07,'cm^3/(mol*s)'), n=1.759, Ea=(767.75,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CL + CL <=> HCL + CH2CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CL + CL <=> HCL + CH2CL +""", +) + +entry( + index = 3230, + label = "O + CH3Cl <=> HO-2 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(647,'cm^3/(mol*s)'), n=3.28, Ea=(4718.44,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O + CH3CL <=> CH2CL + OH""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: O + CH3CL <=> CH2CL + OH +""", +) + +entry( + index = 3231, + label = "O + CH2Cl2 <=> HO-2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6.6e+06,'cm^3/(mol*s)'), n=1.99, Ea=(5683,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL2 + O <=> CHCL2 + OH""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2CL2 + O <=> CHCL2 + OH +""", +) + +entry( + index = 3232, + label = "Cl + CH2Cl2 <=> ClH + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8.9e+07,'cm^3/(mol*s)'), n=1.58, Ea=(715,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL2 + CL <=> CHCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2CL2 + CL <=> CHCL2 + HCL +""", +) + +entry( + index = 3233, + label = "Cl + C2H5Cl <=> ClH + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.7e+13,'cm^3/(mol*s)'), n=0, Ea=(904,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5CL + CL <=> CH3CHCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H5CL + CL <=> CH3CHCL + HCL +""", +) + +entry( + index = 3234, + label = "Cl + C2H4Cl2 <=> ClH + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(2166,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCH2CL + CL <=> CLCH2CHCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2CLCH2CL + CL <=> CLCH2CHCL + HCL +""", +) + +entry( + index = 3235, + label = "Cl + C2H3Cl <=> ClH + C2H2Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.2e+14,'cm^3/(mol*s)'), n=0, Ea=(13300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H3CL + CL <=> CHCLCH + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H3CL + CL <=> CHCLCH + HCL +""", +) + +entry( + index = 3236, + label = "Cl + C2H4-2 <=> ClH + C2H3-2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.52e+07,'cm^3/(mol*s)'), n=2.191, Ea=(4986.28,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H4 + CL <=> C2H3 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H4 + CL <=> C2H3 + HCL +""", +) + +entry( + index = 3237, + label = "Cl + C2H6 <=> ClH + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(6.45e+11,'cm^3/(mol*s)'), n=0.673, Ea=(109.284,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H6 + CL <=> C2H5 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H6 + CL <=> C2H5 + HCL +""", +) + +entry( + index = 3238, + label = "Cl + C2H4O <=> ClH + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHO + CL <=> CH3CO + HCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3CHO + CL <=> CH3CO + HCL +""", +) + +entry( + index = 3239, + label = "C4H3-3 + CH3Cl => C4H4-3 + CH2Cl", + degeneracy = 3.0, + reversible = False, + kinetics = Arrhenius(A=(214600,'cm^3/(mol*s)'), n=2, Ea=(7064.07,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C4H3 + CH3CL => C4H4 + CH2CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C4H3 + CH3CL => C4H4 + CH2CL +""", +) + +entry( + index = 3240, + label = "C4H5-8 + CH3Cl => C4H6-8 + CH2Cl", + degeneracy = 3.0, + reversible = False, + kinetics = Arrhenius(A=(141800,'cm^3/(mol*s)'), n=2, Ea=(6285.93,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C4H5 + CH3CL => C4H6 + CH2CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C4H5 + CH3CL => C4H6 + CH2CL +""", +) + +entry( + index = 3241, + label = "C6H5-2 + CH3Cl => C6H6-2 + CH2Cl", + degeneracy = 3.0, + reversible = False, + kinetics = Arrhenius(A=(71050,'cm^3/(mol*s)'), n=2, Ea=(1262.43,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C6H5 + CH3CL => C6H6 + CH2CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C6H5 + CH3CL => C6H6 + CH2CL +""", +) + +entry( + index = 3242, + label = "C3H3-4 + CH2Cl2 => C3H4-4 + CHCl2", + degeneracy = 2.0, + reversible = False, + kinetics = Arrhenius(A=(94510,'cm^3/(mol*s)'), n=2, Ea=(12109.6,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C3H3 + CH2CL2 => C3H4-A + CHCL2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C3H3 + CH2CL2 => C3H4-A + CHCL2 +""", +) + +entry( + index = 3243, + label = "C2HO-2 + CH2Cl2 => C2H2O-2 + CHCl2", + degeneracy = 2.0, + reversible = False, + kinetics = Arrhenius(A=(149800,'cm^3/(mol*s)'), n=2, Ea=(3249.41,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCCO + CH2CL2 => CH2CO + CHCL2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HCCO + CH2CL2 => CH2CO + CHCL2 +""", +) + +entry( + index = 3244, + label = "H + CHCl3-2 => H2 + CCl3-2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(4.212e+06,'cm^3/(mol*s)'), n=2, Ea=(1159.51,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is H + CHCL3 => H2 + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: H + CHCL3 => H2 + CCL3 +""", +) + +entry( + index = 3245, + label = "O + CHCl3-2 => HO-2 + CCl3-2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(2.368e+06,'cm^3/(mol*s)'), n=2, Ea=(133.52,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O + CHCL3 => OH + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: O + CHCL3 => OH + CCL3 +""", +) + +entry( + index = 3246, + label = "CHO-2 + CHCl3-2 => CH2O-2 + CCl3-2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(221000,'cm^3/(mol*s)'), n=2, Ea=(9915.54,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCO + CHCL3 => CH2O + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HCO + CHCL3 => CH2O + CCL3 +""", +) + +entry( + index = 3247, + label = "C3H3-4 + CHCl3-2 => C3H4-4 + CCl3-2", + degeneracy = 1.0, + reversible = False, + kinetics = Arrhenius(A=(47260,'cm^3/(mol*s)'), n=2, Ea=(10747.4,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C3H3 + CHCL3 => C3H4-A + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C3H3 + CHCL3 => C3H4-A + CCL3 +""", +) + +entry( + index = 3248, + label = "O2 + C2H5Cl-2 => HO2-3 + C2H4Cl-2", + degeneracy = 6.0, + reversible = False, + kinetics = Arrhenius(A=(5.111e+06,'cm^3/(mol*s)'), n=2, Ea=(39646.7,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O2 + C2H5CL => HO2 + CH2CLCH2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: O2 + C2H5CL => HO2 + CH2CLCH2 +""", +) + +entry( + index = 3249, + label = "C2HO-2 + C2H5Cl-2 => C2H2O-2 + C2H4Cl-2", + degeneracy = 3.0, + reversible = False, + kinetics = Arrhenius(A=(128400,'cm^3/(mol*s)'), n=2, Ea=(4280.83,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCCO + C2H5CL => CH2CO + CH2CLCH2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HCCO + C2H5CL => CH2CO + CH2CLCH2 +""", +) + +entry( + index = 3250, + label = "O2 + C2H5Cl => HO2-3 + C2H4Cl", + degeneracy = 4.0, + reversible = False, + kinetics = Arrhenius(A=(3.408e+06,'cm^3/(mol*s)'), n=2, Ea=(37648.9,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O2 + C2H5CL => HO2 + CH3CHCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: O2 + C2H5CL => HO2 + CH3CHCL +""", +) + +entry( + index = 3251, + label = "C2HO-2 + C2H5Cl => C2H2O-2 + C2H4Cl", + degeneracy = 2.0, + reversible = False, + kinetics = Arrhenius(A=(85590,'cm^3/(mol*s)'), n=2, Ea=(3119.82,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCCO + C2H5CL => CH2CO + CH3CHCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HCCO + C2H5CL => CH2CO + CH3CHCL +""", +) + +entry( + index = 3252, + label = "CHO-2 + C2H4Cl2 => CH2O-2 + C2H3Cl2", + degeneracy = 4.0, + reversible = False, + kinetics = Arrhenius(A=(505200,'cm^3/(mol*s)'), n=2, Ea=(10099.6,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCO + CH2CLCH2CL => CH2O + CLCH2CHCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HCO + CH2CLCH2CL => CH2O + CLCH2CHCL +""", +) + +entry( + index = 3253, + label = "C3H5-3 + C2H4Cl2 => C3H6-3 + C2H3Cl2", + degeneracy = 8.0, + reversible = False, + kinetics = Arrhenius(A=(96270,'cm^3/(mol*s)'), n=2, Ea=(12880.3,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C3H5-A + CH2CLCH2CL => C3H6 + CLCH2CHCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C3H5-A + CH2CLCH2CL => C3H6 + CLCH2CHCL +""", +) + +entry( + index = 3254, + label = "C3H7-4 + C2H4Cl2 => C3H8-4 + C2H3Cl2", + degeneracy = 4.0, + reversible = False, + kinetics = Arrhenius(A=(54130,'cm^3/(mol*s)'), n=2, Ea=(4637.45,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is NC3H7 + CH2CLCH2CL => C3H8 + CLCH2CHCL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: NC3H7 + CH2CLCH2CL => C3H8 + CLCH2CHCL +""", +) + +entry( + index = 3255, + label = "O2 + C2H4Cl2-2 => HO2-3 + C2H3Cl2-2", + degeneracy = 6.0, + reversible = False, + kinetics = Arrhenius(A=(2.982e+06,'cm^3/(mol*s)'), n=2, Ea=(36419.4,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is O2 + CH3CHCL2 => HO2 + CL2CHCH2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: O2 + CH3CHCL2 => HO2 + CL2CHCH2 +""", +) + +entry( + index = 3256, + label = "CHO-2 + C2H4Cl2-2 => CH2O-2 + C2H3Cl2-2", + degeneracy = 3.0, + reversible = False, + kinetics = Arrhenius(A=(221000,'cm^3/(mol*s)'), n=2, Ea=(9195.31,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HCO + CH3CHCL2 => CH2O + CL2CHCH2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HCO + CH3CHCL2 => CH2O + CL2CHCH2 +""", +) + +entry( + index = 3257, + label = "CH3O-3 + C2H4Cl2-2 => CH4O-3 + C2H3Cl2-2", + degeneracy = 3.0, + reversible = False, + kinetics = Arrhenius(A=(74890,'cm^3/(mol*s)'), n=2, Ea=(-758.46,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3O + CH3CHCL2 => CH3OH + CL2CHCH2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH3O + CH3CHCL2 => CH3OH + CL2CHCH2 +""", +) + +entry( + index = 3258, + label = "CClF2 + BrH <=> CHClF2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.51e+11,'cm^3/(mol*s)'), n=0, Ea=(2629,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HBR + CF2CL <=> CHF2CL + BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: HBR + CF2CL <=> CHF2CL + BR +""", +) + +entry( + index = 3259, + label = "CBrF2 + BrH <=> CHBrF2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.63e+11,'cm^3/(mol*s)'), n=0, Ea=(2557,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2BR + HBR <=> CHF2BR + BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2BR + HBR <=> CHF2BR + BR +""", +) + +entry( + index = 3260, + label = "CBrF2 + ClH-2 <=> CHBrF2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.86e+11,'cm^3/(mol*s)'), n=0, Ea=(5162,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2BR + HCL <=> CHF2BR + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2BR + HCL <=> CHF2BR + CL +""", +) + +entry( + index = 3261, + label = "CClF2 + ClH-2 <=> CHClF2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.86e+11,'cm^3/(mol*s)'), n=0, Ea=(5162,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2CL + HCL <=> CHF2CL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2CL + HCL <=> CHF2CL + CL +""", +) + +entry( + index = 3262, + label = "CH2 + ClH-2 <=> CH3-3 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+12,'cm^3/(mol*s)'), n=0, Ea=(865,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2 + HCL <=> CH3 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2 + HCL <=> CH3 + CL +""", +) + +entry( + index = 3263, + label = "F + C2H6O-2 <=> FH + C2H5O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3.8e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5OH + F <=> PC2H4OH + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2H5OH + F <=> PC2H4OH + HF +""", +) + +entry( + index = 3264, + label = "F + C2H6O-4 <=> FH + C2H5O-4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5OH + F <=> C2H5O + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2H5OH + F <=> C2H5O + HF +""", +) + +entry( + index = 3265, + label = "Cl + HO2-4 <=> ClH + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.08e+13,'cm^3/(mol*s)'), n=0, Ea=(-338,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + HO2 <=> HCL + O2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CL + HO2 <=> HCL + O2 +""", +) + +entry( + index = 3266, + label = "Cl + CH2O <=> ClH + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + CH2O <=> HCO + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CL + CH2O <=> HCO + HCL +""", +) + +entry( + index = 3267, + label = "Cl + C2H6 <=> ClH + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(4.37e+13,'cm^3/(mol*s)'), n=0, Ea=(100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + C2H6 <=> C2H5 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CL + C2H6 <=> C2H5 + HCL +""", +) + +entry( + index = 3268, + label = "Cl + C2H4-2 <=> ClH + C2H3-2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(3.01e+11,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CL + C2H4 <=> C2H3 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CL + C2H4 <=> C2H3 + HCL +""", +) + +entry( + index = 3269, + label = "Cl + ClHO <=> ClH + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.28e+12,'cm^3/(mol*s)'), n=0, Ea=(100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HOCL + CL <=> HCL + CLO""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: HOCL + CL <=> HCL + CLO +""", +) + +entry( + index = 3270, + label = "Cl + CH3Cl <=> ClH + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3.16e+13,'cm^3/(mol*s)'), n=0, Ea=(3300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CL + CL <=> CH2CL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CL + CL <=> CH2CL + HCL +""", +) + +entry( + index = 3271, + label = "O + CH3Cl <=> HO-2 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.7e+13,'cm^3/(mol*s)'), n=0, Ea=(7300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CL + O <=> CH2CL + OH""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CL + O <=> CH2CL + OH +""", +) + +entry( + index = 3272, + label = "Cl + CH2Cl2 <=> ClH + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.79e+13,'cm^3/(mol*s)'), n=0, Ea=(2940,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL2 + CL <=> CHCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CL2 + CL <=> CHCL2 + HCL +""", +) + +entry( + index = 3273, + label = "Cl + CHCl3-2 <=> ClH + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+13,'cm^3/(mol*s)'), n=0, Ea=(3300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL3 + CL <=> HCL + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL3 + CL <=> HCL + CCL3 +""", +) + +entry( + index = 3274, + label = "O + CHCl3-2 <=> HO-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.1e+13,'cm^3/(mol*s)'), n=0.22, Ea=(9450,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL3 + O <=> OH + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL3 + O <=> OH + CCL3 +""", +) + +entry( + index = 3275, + label = "CCl3 + H2-2 <=> CHCl3 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5.01e+12,'cm^3/(mol*s)'), n=0, Ea=(14300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CCL3 + H2 <=> CHCL3 + H""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CCL3 + H2 <=> CHCL3 + H +""", +) + +entry( + index = 3276, + label = "Cl + CHClO <=> ClH + CClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.25e+13,'cm^3/(mol*s)'), n=0, Ea=(500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCLO + CL <=> CCLO + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCLO + CL <=> CCLO + HCL +""", +) + +entry( + index = 3277, + label = "Cl + C2H5Cl <=> ClH + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.55e+13,'cm^3/(mol*s)'), n=0, Ea=(1500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5CL + CL <=> HCL + CH3CHCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2H5CL + CL <=> HCL + CH3CHCL +""", +) + +entry( + index = 3278, + label = "Cl + C2H3Cl3 <=> ClH + C2H2Cl3", + degeneracy = 3.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(1500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CCL3 + CL <=> CH2CCL3 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CCL3 + CL <=> CH2CCL3 + HCL +""", +) + +entry( + index = 3279, + label = "Cl + C2H4Cl2 <=> ClH + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(1500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCH2CL + CL <=> CH2CLCHCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CLCH2CL + CL <=> CH2CLCHCL + HCL +""", +) + +entry( + index = 3280, + label = "Cl + C2H3Cl3-2 <=> ClH + C2H2Cl3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.5e+13,'cm^3/(mol*s)'), n=0, Ea=(1500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCHCL2 + CL <=> CHCLCHCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CLCHCL2 + CL <=> CHCLCHCL2 + HCL +""", +) + +entry( + index = 3281, + label = "HO + C2H3Cl3-3 <=> H2O + C2H2Cl3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(11600,'cm^3/(mol*s)'), n=2.78, Ea=(188,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCHCL2 + OH <=> H2O + CH2CLCCL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CLCHCL2 + OH <=> H2O + CH2CLCCL2 +""", +) + +entry( + index = 3282, + label = "Cl + C2H2Cl4-2 <=> ClH + C2HCl4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(1500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2CHCL2 + CL <=> CHCL2CCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL2CHCL2 + CL <=> CHCL2CCL2 + HCL +""", +) + +entry( + index = 3283, + label = "HO + C2H2Cl4-2 <=> H2O + C2HCl4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(11600,'cm^3/(mol*s)'), n=2.78, Ea=(188,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2CHCL2 + OH <=> CHCL2CCL2 + H2O""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL2CHCL2 + OH <=> CHCL2CCL2 + H2O +""", +) + +entry( + index = 3284, + label = "Cl + C2HCl5 <=> ClH + C2Cl5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.3e+12,'cm^3/(mol*s)'), n=0, Ea=(3300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HCL5 + CL <=> C2CL5 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HCL5 + CL <=> C2CL5 + HCL +""", +) + +entry( + index = 3285, + label = "Cl + C2H3Cl-2 <=> ClH + C2H2Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+13,'cm^3/(mol*s)'), n=0, Ea=(7000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H3CL + CL <=> CH2CCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2H3CL + CL <=> CH2CCL + HCL +""", +) + +entry( + index = 3286, + label = "Cl + C2H3Cl <=> ClH + C2H2Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.7e+13,'cm^3/(mol*s)'), n=0, Ea=(7000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H3CL + CL <=> CHCHCL + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2H3CL + CL <=> CHCHCL + HCL +""", +) + +entry( + index = 3287, + label = "F + C2HCl2F3 <=> FH + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.93e+08,'cm^3/(mol*s)'), n=1.35, Ea=(240,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCL2H + F <=> CF3CCL2 + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF3CCL2H + F <=> CF3CCL2 + HF +""", +) + +entry( + index = 3288, + label = "O + CHCl2F <=> HO-2 + CCl2F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(7350,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHFCL2 + O <=> CFCL2 + OH""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHFCL2 + O <=> CFCL2 + OH +""", +) + +entry( + index = 3289, + label = "Cl + CHCl2F <=> ClH + CCl2F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.1e+12,'cm^3/(mol*s)'), n=0, Ea=(3340,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHFCL2 + CL <=> CFCL2 + HCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHFCL2 + CL <=> CFCL2 + HCL +""", +) + +entry( + index = 3290, + label = "F + CHCl2F <=> FH + CCl2F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.57e+13,'cm^3/(mol*s)'), n=0, Ea=(1690,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHFCL2 + F <=> CFCL2 + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHFCL2 + F <=> CFCL2 + HF +""", +) + +entry( + index = 3291, + label = "O + CHClF2-2 <=> HO-2 + CClF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7e+12,'cm^3/(mol*s)'), n=0, Ea=(8350,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2CL + O <=> CF2CL + OH""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2CL + O <=> CF2CL + OH +""", +) + +entry( + index = 3292, + label = "F + CHClF2-2 <=> FH + CClF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.45e+13,'cm^3/(mol*s)'), n=0, Ea=(2070,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2CL + F <=> CF2CL + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2CL + F <=> CF2CL + HF +""", +) + +entry( + index = 3293, + label = "H + CHClF2-2 <=> H2 + CClF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.62e+06,'cm^3/(mol*s)'), n=2.05, Ea=(8980,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2CL + H <=> CF2CL + H2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2CL + H <=> CF2CL + H2 +""", +) + +entry( + index = 3294, + label = "F + CH3Cl <=> FH + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(4.97e+13,'cm^3/(mol*s)'), n=0, Ea=(840,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CL + F <=> CH2CL + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CL + F <=> CH2CL + HF +""", +) + +entry( + index = 3295, + label = "F + CH2Cl2 <=> FH + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.4e+12,'cm^3/(mol*s)'), n=0, Ea=(160,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL2 + F <=> CHCL2 + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CL2 + F <=> CHCL2 + HF +""", +) + +entry( + index = 3296, + label = "F + CHCl3-2 <=> FH + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.02e+13,'cm^3/(mol*s)'), n=0, Ea=(1090,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL3 + F <=> CCL3 + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL3 + F <=> CCL3 + HF +""", +) + +entry( + index = 3297, + label = "H + CHBrF2-2 <=> H2 + CBrF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.62e+06,'cm^3/(mol*s)'), n=2.05, Ea=(5440,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2BR + H <=> CF2BR + H2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2BR + H <=> CF2BR + H2 +""", +) + +entry( + index = 3298, + label = "F + C2HClF4-2 <=> FH + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(1400,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HF4CL + F <=> C2F4CL + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HF4CL + F <=> C2F4CL + HF +""", +) + +entry( + index = 3299, + label = "C2H5O-6 + C2HBrF4-2 <=> C2H6O-6 + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.7e+10,'cm^3/(mol*s)'), n=0, Ea=(8900,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HF4BR + PC2H4OH <=> C2F4BR + C2H5OH""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HF4BR + PC2H4OH <=> C2F4BR + C2H5OH +""", +) + +entry( + index = 3300, + label = "F + C2HBrF4-2 <=> FH + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(1400,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HF4BR + F <=> C2F4BR + HF""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HF4BR + F <=> C2F4BR + HF +""", +) + +entry( + index = 3301, + label = "HO + BrHO-2 <=> H2O + BrO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5043.27,'cm^3/(mol*s)'), n=2.83069, Ea=(-5.89168,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.1109, dn = +|- 0.0138168, dEa = +|- 0.0751905 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + OBr <=> O + [O]Br +barrier = 2.816420 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 0.991963 0.151151 0.321334 +O -0.560516 0.837506 -0.231488 +O -2.202066 -0.67874 0.291857 +H -1.346815 0.311379 0.249825 +H -2.595782 -0.744119 -0.592111 +""", +) + +entry( + index = 3302, + label = "O + C2H3F3-3 <=> HO-2 + C2H2F3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(78.3191,'cm^3/(mol*s)'), n=3.53532, Ea=(13.4425,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.86312, dn = +|- 0.0817513, dEa = +|- 0.444888 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [O] <=> [OH] + FC[C](F)F +barrier = 30.170342 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.832548 0.581191 -0.168939 +F 0.14438 -1.244577 -0.911153 +F 1.23825 -0.742254 0.899654 +O 1.21213 1.794848 -0.94213 +C -0.974016 0.033826 0.743381 +C 0.308842 -0.328698 0.037435 +H -0.758237 0.757571 1.527716 +H -1.419597 -0.870752 1.164116 +H 0.764752 0.742092 -0.528801 +""", +) + +entry( + index = 3303, + label = "HO + C2H4Cl2 <=> H2O + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1345.06,'cm^3/(mol*s)'), n=3.03793, Ea=(-4.42191,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03911, dn = +|- 0.00504002, dEa = +|- 0.0274276 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + ClCCCl <=> O + Cl[CH]CCl +barrier = 3.381122 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -2.186077 -0.547154 0.006655 +Cl 2.114198 -0.349801 0.013936 +O 0.025221 2.276502 -0.173372 +C -0.529075 -0.170194 -0.457519 +C 0.449064 -0.790884 0.502838 +H -0.426125 0.999993 -0.393199 +H -0.364032 -0.452091 -1.493108 +H 0.385204 -1.875578 0.489811 +H 0.293478 -0.42048 1.511405 +H 0.98212 2.108915 -0.213846 +""", +) + +entry( + index = 3304, + label = "C2H4Cl-3 + CH2Cl2 <=> C2H5Cl-3 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.44188e-05,'cm^3/(mol*s)'), n=4.79197, Ea=(22.2314,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97553, dn = +|- 0.0894487, dEa = +|- 0.486776 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CCl + ClCCl <=> CCCl + Cl[CH]Cl +barrier = 43.125823 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -2.476332 0.394604 0.764133 +Cl 0.83005 1.309314 -0.945868 +Cl 2.46073 -0.749698 0.364714 +C -2.122567 -0.631793 -0.672324 +C 0.935468 0.100641 0.314133 +C -1.011099 -1.584545 -0.379952 +H -1.871039 0.048799 -1.481179 +H -3.05613 -1.139874 -0.909508 +H 0.017418 -0.786063 0.02519 +H 0.691012 0.529384 1.277588 +H -0.59943 -2.080601 -1.254995 +H -1.174168 -2.245326 0.465728 +""", +) + +entry( + index = 3305, + label = "C2H5-2 + CHCl3-2 <=> C2H6-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00619926,'cm^3/(mol*s)'), n=4.39892, Ea=(11.7236,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.56606, dn = +|- 0.0589322, dEa = +|- 0.320707 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH2] + ClC(Cl)Cl <=> CC + Cl[C](Cl)Cl +barrier = 29.642446 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 0.254957 -1.022068 1.444293 +Cl 1.466805 1.304394 0.179881 +Cl 0.705212 -0.997958 -1.431661 +C -2.107736 0.863751 -0.404613 +C -2.892507 -0.409471 -0.542441 +C 0.364918 -0.042424 -0.003676 +H -0.833668 0.468579 -0.188565 +H -2.004589 1.464237 -1.304277 +H -2.310597 1.460131 0.480695 +H -3.949835 -0.197773 -0.725559 +H -2.831117 -1.01214 0.363445 +H -2.529439 -1.009186 -1.376826 +""", +) + +entry( + index = 3306, + label = "CF3-2 + CH3Br <=> CHF3-2 + CH2Br", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.59599e-05,'cm^3/(mol*s)'), n=5.45577, Ea=(21.8209,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.6869, dn = +|- 0.129855, dEa = +|- 0.706664 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CBr + F[C](F)F <=> [CH2]Br + FC(F)F +barrier = 45.941296 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -1.971933 0.132972 -0.083781 +F 1.641976 -1.258307 0.595114 +F 1.85673 -0.246148 -1.304562 +F 2.750455 0.595211 0.476392 +C 1.71384 -0.079483 0.000161 +C -0.555235 1.289879 0.431226 +H 0.551032 0.626621 0.238638 +H -0.500383 2.15719 -0.214905 +H -0.593029 1.512347 1.490362 +""", +) + +entry( + index = 3307, + label = "C2H2F3-4 + H2O2 <=> C2H3F3-4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000516254,'cm^3/(mol*s)'), n=4.4542, Ea=(1.33857,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.36826, dn = +|- 0.0411932, dEa = +|- 0.224172 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC[C](F)F + OO <=> FCC(F)F + [O]O +barrier = 21.854191 kJ/mol + +Atom XYZ coordinates (angstrom) +F 2.402157 -0.731983 0.199041 +F 0.219339 0.000826 -1.404424 +F 0.920788 1.665592 -0.200468 +O -1.929755 0.267218 0.739348 +O -2.121395 -1.044846 0.342692 +C 1.146661 -0.518367 0.717539 +C 0.394569 0.443999 -0.158254 +H 1.238098 -0.091635 1.715278 +H 0.602812 -1.461153 0.751986 +H -0.843229 0.501184 0.376955 +H -2.548536 -0.96005 -0.520529 +""", +) + +entry( + index = 3308, + label = "C6H5-2 + C2H4Cl2 <=> C6H6-2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.0181714,'cm^3/(mol*s)'), n=4.36235, Ea=(4.81091,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.35815, dn = +|- 0.0402181, dEa = +|- 0.218865 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [C]1DCCDCCDC1 + ClCCCl <=> C1DCCDCCDC1 + Cl[CH]CCl +barrier = 17.430167 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.572576 2.406322 -0.087439 +Cl -2.294387 -1.823207 0.270918 +C -1.568164 0.748694 0.520517 +C -2.330089 -0.162718 -0.396814 +C 3.602503 -0.596516 -0.235023 +C 2.730843 -1.585487 0.202784 +C 3.154725 0.704314 -0.424828 +C 1.396061 -1.279678 0.456358 +C 1.822639 1.026651 -0.176069 +C 0.987128 0.021328 0.258425 +H -0.355565 0.376904 0.49088 +H -1.897546 0.729298 1.553991 +H -1.870855 -0.194606 -1.381337 +H -3.374209 0.126842 -0.48656 +H 3.086743 -2.597059 0.346996 +H 4.637566 -0.841539 -0.430204 +H 3.838834 1.46987 -0.766208 +H 0.704749 -2.040388 0.793425 +H 1.457817 2.035431 -0.320332 +""", +) + +entry( + index = 3309, + label = "C2H4Cl-3 + C2H4O <=> C2H5Cl-3 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00024995,'cm^3/(mol*s)'), n=4.64017, Ea=(11.2362,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.73826, dn = +|- 0.0726377, dEa = +|- 0.395292 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + [CH2]CCl <=> C[C]DO + CCCl +barrier = 31.207011 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.739805 -0.473971 0.900717 +O -2.015745 -0.087017 1.539796 +C 0.270956 1.434666 -0.356414 +C 1.153978 1.234646 0.826629 +C -1.674765 -1.720836 -0.200071 +C -1.540152 -0.400282 0.496788 +H -0.777741 0.442365 -0.09053 +H 0.697848 1.167591 -1.317254 +H -0.290317 2.364192 -0.351509 +H 0.624145 1.411768 1.759434 +H 2.055887 1.844225 0.805043 +H -2.296288 -2.400895 0.378243 +H -2.100858 -1.557458 -1.190325 +H -0.67405 -2.132039 -0.336964 +""", +) + +entry( + index = 3310, + label = "H + C2HFO <=> H2 + C2FO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(37.1198,'cm^3/(mol*s)'), n=3.69512, Ea=(39.0492,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.83715, dn = +|- 0.137003, dEa = +|- 0.745565 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCDCF + [H] <=> [H][H] + ODCD[C]F +barrier = 62.512641 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.573785 -0.534091 0.020474 +O 1.888554 -0.12535 0.028218 +C -0.530036 0.246744 -0.230184 +C 0.733595 -0.033482 -0.003769 +H -0.834762 1.508437 -0.015818 +H -1.189314 2.229062 0.436476 +""", +) + +entry( + index = 3311, + label = "H + CH3Br <=> H2 + CH2Br", + degeneracy = 3.0, + kinetics = Arrhenius(A=(504.547,'cm^3/(mol*s)'), n=3.39884, Ea=(29.7585,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.17896, dn = +|- 0.102325, dEa = +|- 0.556848 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CBr + [H] <=> [CH2]Br + [H][H] +barrier = 50.550482 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 0.387141 0.211213 -0.001381 +C -1.423132 -0.35771 -0.000259 +H -1.676923 -0.877606 0.914362 +H -1.678468 -0.876303 -0.915189 +H -2.765502 1.474207 0.002476 +H -2.199402 0.739019 0.001185 +""", +) + +entry( + index = 3312, + label = "CF3-2 + C2HF5 <=> CHF3-2 + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.69513e-07,'cm^3/(mol*s)'), n=6.04679, Ea=(26.6044,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.91379, dn = +|- 0.179269, dEa = +|- 0.975575 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)(F)F + F[C](F)F <=> FC(F)F + F[C](F)C(F)(F)F +barrier = 54.193669 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.676826 1.744141 0.673249 +F -0.64403 1.169318 -1.428212 +F -1.423332 -0.79635 1.346714 +F -1.391991 -1.365414 -0.737582 +F -2.819269 0.096585 -0.038132 +F 2.813118 0.631579 -0.126678 +F 2.080529 -1.318835 -0.708813 +F 2.074536 -0.739357 1.374943 +C -0.548639 0.733392 -0.177866 +C -1.57954 -0.355468 0.103898 +C 1.931207 -0.31457 0.133947 +H 0.668216 0.198371 -0.013688 +""", +) + +entry( + index = 3313, + label = "Cl + C2H3Cl3-3 <=> ClH + C2H2Cl3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.45741e+07,'cm^3/(mol*s)'), n=1.76431, Ea=(-0.874777,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02181, dn = +|- 0.0028347, dEa = +|- 0.0154263 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + ClCC(Cl)Cl <=> Cl + ClC[C](Cl)Cl +barrier = 0.596127 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.286166 -0.976374 -0.007783 +Cl 0.175539 1.214019 -1.442886 +Cl 0.159884 1.165656 1.477225 +Cl -2.835268 -0.989534 -0.033572 +C 0.516625 -1.090706 -0.018832 +C -0.152838 0.265841 0.000168 +H 0.214767 -1.617611 -0.919965 +H 0.205537 -1.64715 0.861157 +H -1.264441 0.078335 -0.008674 +""", +) + +entry( + index = 3314, + label = "HO + ClHO <=> H2O + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5549.33,'cm^3/(mol*s)'), n=2.82744, Ea=(-6.09878,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.11583, dn = +|- 0.0143991, dEa = +|- 0.0783593 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + OCl <=> O + [O]Cl +barrier = 2.128682 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.348228 0.043703 0.345024 +O 0.018913 0.758067 -0.238745 +O 1.772418 -0.610457 0.326779 +H 0.850032 0.315298 0.251485 +H 2.134419 -0.727512 -0.565638 +""", +) + +entry( + index = 3315, + label = "C2H2F3-6 + H2O2 <=> C2H3F3-6 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00256671,'cm^3/(mol*s)'), n=4.00922, Ea=(1.49845,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.18315, dn = +|- 0.0220952, dEa = +|- 0.120241 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]C(F)(F)F + OO <=> CC(F)(F)F + [O]O +barrier = 20.154814 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.320214 1.202917 0.30537 +F -1.204061 -0.585941 1.128313 +F -2.015006 0.291456 -0.664351 +O 2.113856 -0.625391 0.584347 +O 2.607363 0.575399 0.100659 +C -0.873079 0.019815 -0.014301 +C 0.050216 -0.809999 -0.836812 +H 0.422583 -0.316793 -1.72695 +H -0.24437 -1.847239 -0.934739 +H 1.235954 -0.83804 -0.056525 +H 2.172357 1.233397 0.660445 +""", +) + +entry( + index = 3316, + label = "O + C2H2F4 <=> HO-2 + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8.73599,'cm^3/(mol*s)'), n=3.87124, Ea=(18.794,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.25118, dn = +|- 0.106609, dEa = +|- 0.580162 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + [O] <=> [OH] + F[CH]C(F)(F)F +barrier = 38.428361 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.363489 1.870872 -0.051657 +F -0.375263 -1.491043 0.547507 +F -0.64933 -0.386297 -1.291816 +F -1.77316 0.153698 0.46364 +O 2.596474 -0.353534 -0.523962 +C 0.522145 0.647909 0.461854 +C -0.588678 -0.283257 0.03104 +H 1.605484 0.126593 -0.053933 +H 0.696485 0.660988 1.535801 +""", +) + +entry( + index = 3317, + label = "CH2Br-2 + H2O2 <=> CH3Br-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00889661,'cm^3/(mol*s)'), n=3.96032, Ea=(-0.625021,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14915, dn = +|- 0.0182645, dEa = +|- 0.0993945 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + [CH2]Br <=> [O]O + CBr +barrier = 19.474456 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.14615 -0.153936 0.10163 +O -2.030354 -0.833898 -0.451765 +O -2.221545 0.387069 0.164423 +C 0.073661 1.382351 -0.08403 +H -1.210249 0.911931 0.048667 +H 0.120539 1.795378 -1.083128 +H 0.206236 2.075696 0.736219 +H -1.73625 -1.408722 0.267942 +""", +) + +entry( + index = 3318, + label = "CF3-2 + C2HCl2F3 <=> CHF3-2 + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.96573e-05,'cm^3/(mol*s)'), n=5.24513, Ea=(16.6807,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.32892, dn = +|- 0.111069, dEa = +|- 0.604434 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + FC(F)(F)C(Cl)Cl <=> FC(F)F + FC(F)(F)[C](Cl)Cl +barrier = 37.174051 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 0.840505 -1.338377 1.489128 +Cl 1.149613 -1.224035 -1.414274 +F 2.449003 1.02814 0.278922 +F 0.800979 1.681768 -0.94905 +F 0.579501 1.596127 1.191657 +F -2.348954 1.194283 -0.200449 +F -2.675796 -0.724297 0.745268 +F -2.442074 -0.602525 -1.402137 +C 1.128753 0.992046 0.140858 +C 0.594656 -0.431359 0.028278 +C -2.072299 -0.093737 -0.243172 +H -0.684216 -0.26946 -0.101894 +""", +) + +entry( + index = 3319, + label = "HO + CHCl3-2 <=> H2O + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(10201,'cm^3/(mol*s)'), n=3.00821, Ea=(-2.73742,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03315, dn = +|- 0.00428446, dEa = +|- 0.0233159 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + ClC(Cl)Cl <=> O + Cl[C](Cl)Cl +barrier = 3.515208 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.652898 0.202491 0.726918 +Cl 0.434919 1.329505 -0.957434 +Cl 0.054427 -1.552674 -0.84357 +O 1.675621 0.006051 1.8904 +C -0.066975 -0.039817 0.027634 +H 0.675546 -0.11001 0.912579 +H 2.12896 0.803281 1.568586 +""", +) + +entry( + index = 3320, + label = "C2BrF4 + C2H6O <=> C2HBrF4 + C2H5O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000348345,'cm^3/(mol*s)'), n=4.51442, Ea=(6.49321,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.48063, dn = +|- 0.0515623, dEa = +|- 0.2806 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCO + F[C](F)C(F)(F)Br <=> C[CH]O + FC(F)C(F)(F)Br +barrier = 21.651527 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.055214 -0.475686 -0.649302 +F -0.098342 0.304973 1.824282 +F 0.107013 1.702276 0.163211 +F 0.492936 -0.429189 -1.53444 +F 0.170877 -1.786364 0.120118 +O 3.270708 1.0672 -0.834482 +C 0.383992 0.474477 0.594505 +C -0.13638 -0.577667 -0.357034 +C 3.418649 -1.156733 0.171114 +C 3.080531 0.304033 0.301068 +H 1.81992 0.348057 0.578195 +H 2.848535 -1.614902 -0.639614 +H 4.481878 -1.282204 -0.042307 +H 3.180773 -1.688303 1.091519 +H 3.548033 0.811508 1.141827 +H 2.936069 0.5923 -1.602327 +""", +) + +entry( + index = 3321, + label = "CH2Cl-2 + C2H4Cl2 <=> CH3Cl-2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(3.18763e-05,'cm^3/(mol*s)'), n=4.89653, Ea=(30.4473,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.23564, dn = +|- 0.105699, dEa = +|- 0.575209 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]Cl + ClCCCl <=> CCl + Cl[CH]CCl +barrier = 54.212949 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -0.954417 1.898762 -0.053781 +Cl -2.426605 -1.180017 0.504698 +Cl 2.782161 -0.69893 0.252251 +C -0.476744 0.32718 -0.669189 +C -0.680798 -0.800578 0.28366 +C 2.192993 0.507649 -0.86283 +H 0.830341 0.409421 -0.834167 +H -0.890107 0.171546 -1.660252 +H -0.211959 -1.702569 -0.102026 +H -0.278307 -0.570682 1.265617 +H 2.388336 1.513339 -0.511288 +H 2.497645 0.299101 -1.880771 +""", +) + +entry( + index = 3322, + label = "H + C2HF5 <=> H2 + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.21821,'cm^3/(mol*s)'), n=3.93916, Ea=(27.4156,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.91582, dn = +|- 0.140596, dEa = +|- 0.76512 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)(F)F + [H] <=> [H][H] + F[C](F)C(F)(F)F +barrier = 52.700624 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.434413 -1.089602 -0.41969 +F -1.434722 1.088225 -0.422846 +F 1.075633 -1.079261 0.661182 +F 1.013979 -0.001488 -1.207937 +F 1.075344 1.081689 0.658064 +C -0.924579 0.000196 0.139043 +C 0.597332 0.000277 0.054225 +H -1.271284 0.002149 1.437474 +H -1.574069 0.00398 2.327836 +""", +) + +entry( + index = 3323, + label = "C2H4Cl-3 + C3H6 <=> C2H5Cl-3 + C3H5", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.13032e-05,'cm^3/(mol*s)'), n=4.80729, Ea=(20.6258,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97696, dn = +|- 0.0895434, dEa = +|- 0.487292 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCC + [CH2]CCl <=> [CH2]CDC + CCCl +barrier = 42.575895 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.058908 -1.454471 1.342992 +C 1.578639 0.147358 -0.797772 +C 1.99315 0.199904 0.63181 +C -1.291372 -0.314943 0.851646 +C -0.904086 -0.859785 -0.452161 +C -2.027536 0.783706 1.024142 +H 0.264575 -0.431341 -0.704979 +H 2.136943 -0.532859 -1.431464 +H 1.371564 1.115833 -1.243502 +H 2.988701 0.618195 0.774063 +H 1.282308 0.763313 1.233029 +H -0.904494 -0.831602 1.724495 +H -1.490759 -0.489854 -1.289777 +H -0.766606 -1.936771 -0.48034 +H -2.25685 1.161485 2.010623 +H -2.43347 1.326043 0.178467 +""", +) + +entry( + index = 3324, + label = "HO + C2H2F4 <=> H2O + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(81.9291,'cm^3/(mol*s)'), n=3.42463, Ea=(1.91935,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14957, dn = +|- 0.0183131, dEa = +|- 0.0996593 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + [OH] <=> O + F[CH]C(F)(F)F +barrier = 13.233072 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.367572 1.909803 0.191235 +F -0.216264 -0.33695 -1.333077 +F -1.742949 0.143516 0.108658 +F -0.384203 -1.492403 0.486258 +O 2.671243 -0.264559 -0.11547 +C 0.48421 0.657723 0.677337 +C -0.483401 -0.267583 -0.025495 +H 1.586315 0.244178 0.435169 +H 0.361554 0.633229 1.759255 +H 2.376409 -0.321773 -1.039702 +""", +) + +entry( + index = 3325, + label = "H + BrH <=> H2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.87177e+08,'cm^3/(mol*s)'), n=1.65053, Ea=(5.46579,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01423, dn = +|- 0.00185649, dEa = +|- 0.010103 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + Br <=> [H][H] + [Br] +barrier = 10.609093 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 7e-06 0.11775 -0.0 +H -8.2e-05 -1.342582 0.0 +H -0.000167 -2.733785 0.0 +""", +) + +entry( + index = 3326, + label = "O + C2H3F3-2 <=> HO-2 + C2H2F3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(48.9675,'cm^3/(mol*s)'), n=3.61044, Ea=(14.3966,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.93145, dn = +|- 0.0864834, dEa = +|- 0.470639 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [O] <=> [OH] + F[CH]C(F)F +barrier = 31.696982 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.101513 1.809557 -0.116055 +F -0.400417 -1.622822 0.330985 +F -1.798434 -0.040873 0.900939 +O 1.994331 -0.349184 -1.402418 +C 0.373754 0.554174 0.274153 +C -0.798113 -0.363349 0.047003 +H 1.289529 0.092812 -0.518458 +H 0.80133 0.514958 1.274957 +H -1.179559 -0.319592 -0.972803 +""", +) + +entry( + index = 3327, + label = "C2BrF4 + CH2F2 <=> C2HBrF4 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.30448e-07,'cm^3/(mol*s)'), n=5.79962, Ea=(28.8313,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.3129, dn = +|- 0.15737, dEa = +|- 0.856403 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + F[C](F)C(F)(F)Br <=> F[CH]F + FC(F)C(F)(F)Br +barrier = 55.162568 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 2.363634 0.108483 -0.008888 +F -0.363079 -1.271025 0.957182 +F -0.173851 -1.401717 -1.209257 +F 0.31947 1.285333 -1.315195 +F 0.157389 1.403969 0.839468 +F -3.594149 -0.199666 0.672766 +F -2.903492 1.635445 -0.283272 +C -0.424168 -0.594047 -0.182408 +C 0.497679 0.612095 -0.176531 +C -2.971545 0.308694 -0.389966 +H -1.701415 -0.132771 -0.334492 +H -3.442624 0.000197 -1.322752 +""", +) + +entry( + index = 3328, + label = "CH2Br-2 + BrHO-2 <=> CH3Br-2 + BrO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00154786,'cm^3/(mol*s)'), n=4.1645, Ea=(7.16223,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.35452, dn = +|- 0.0398666, dEa = +|- 0.216952 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OBr + [CH2]Br <=> [O]Br + CBr +barrier = 29.033202 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -1.795391 -0.383736 0.044047 +Br 1.780326 -0.375134 -0.164531 +O 1.301671 1.32696 -0.059537 +C -1.21594 1.402375 -0.076713 +H -1.483644 1.846907 -1.027013 +H -1.488246 1.971691 0.803036 +H 0.082809 1.363488 -0.067777 +""", +) + +entry( + index = 3329, + label = "C2H2F3-4 + CH2O <=> C2H3F3-4 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000208094,'cm^3/(mol*s)'), n=5.10772, Ea=(9.7526,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.01748, dn = +|- 0.0922087, dEa = +|- 0.501796 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC[C](F)F + CDO <=> FCC(F)F + [CH]DO +barrier = 31.730629 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.589945 1.277335 0.114469 +F -0.879746 -0.922313 -1.509764 +F -0.086367 -1.892453 0.273939 +O 2.010684 1.296052 0.931811 +C -1.44297 -0.000323 0.599411 +C -0.441748 -0.715801 -0.260986 +C 1.757803 0.916703 -0.158526 +H -2.411713 -0.505447 0.56206 +H -1.07258 0.041864 1.622868 +H 0.750242 0.121821 -0.330028 +H 2.320588 1.217832 -1.066119 +""", +) + +entry( + index = 3330, + label = "C6H5-2 + CH2Cl2 <=> C6H6-2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0596797,'cm^3/(mol*s)'), n=4.26237, Ea=(3.35581,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.29473, dn = +|- 0.0339359, dEa = +|- 0.184678 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [C]1DCCDCCDC1 + ClCCl <=> C1DCCDCCDC1 + Cl[CH]Cl +barrier = 14.948436 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.216677 -1.504197 0.611751 +Cl 2.258191 1.433843 0.555986 +C 1.737758 -0.043549 -0.229218 +C -3.651652 0.038248 0.062513 +C -2.947989 1.233628 -0.009524 +C -2.982158 -1.178445 0.036018 +C -1.558763 1.221157 -0.111067 +C -1.59319 -1.209156 -0.065178 +C -0.932041 -0.00404 -0.136767 +H 0.484472 -0.025726 -0.222786 +H 2.089852 -0.067955 -1.252991 +H -3.476572 2.177326 0.015048 +H -4.729932 0.055025 0.14211 +H -3.537237 -2.105197 0.095907 +H -0.99608 2.144218 -0.162198 +H -1.056897 -2.149051 -0.081124 +""", +) + +entry( + index = 3331, + label = "Cl + C2H2Cl4 <=> ClH + C2HCl4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(307178,'cm^3/(mol*s)'), n=2.58309, Ea=(-1.10274,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15023, dn = +|- 0.018388, dEa = +|- 0.100067 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + ClCC(Cl)(Cl)Cl <=> Cl + Cl[CH]C(Cl)(Cl)Cl +barrier = 2.107647 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -0.34004 2.249569 0.207662 +Cl 0.537901 -0.241308 -1.74223 +Cl 0.357067 -1.954855 0.590414 +Cl 2.292417 0.20007 0.527364 +Cl -2.879896 -0.390255 -0.1452 +C -0.356008 0.601025 0.67698 +C 0.659616 -0.305953 0.015869 +H -1.548013 0.130574 0.275299 +H -0.415955 0.464464 1.752233 +""", +) + +entry( + index = 3332, + label = "HO + C2HF3 <=> H2O + C2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.196014,'cm^3/(mol*s)'), n=4.25864, Ea=(15.1877,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.79497, dn = +|- 0.0768555, dEa = +|- 0.418245 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCDC(F)F + [OH] <=> O + F[C]DC(F)F +barrier = 34.675528 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.473829 1.752177 -0.027306 +F 1.98443 0.422998 0.049993 +F 0.948047 -1.475664 -0.143469 +O -2.363148 -0.897773 -0.10578 +C -0.335656 0.447045 -0.135086 +C 0.823013 -0.17404 -0.068891 +H -1.393448 -0.21915 -0.298215 +H -2.288833 -1.095605 0.840301 +""", +) + +entry( + index = 3333, + label = "C2H4Cl-4 + CH2Cl2 <=> C2H5Cl-4 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00066087,'cm^3/(mol*s)'), n=3.88151, Ea=(25.2271,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.08056, dn = +|- 0.0962541, dEa = +|- 0.523811 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]Cl + ClCCl <=> CCCl + Cl[CH]Cl +barrier = 46.313436 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.79851 1.317768 0.141625 +Cl 0.99476 -1.396145 0.917575 +Cl -2.575551 -0.830529 -0.594896 +C -1.796643 0.946569 1.3409 +C 0.894314 -0.120802 -0.265853 +C -1.669271 0.595279 -0.109386 +H -1.147196 1.792703 1.568321 +H -2.824305 1.219412 1.588878 +H -1.505009 0.102927 1.965518 +H -0.400262 0.252803 -0.285442 +H 1.155437 -0.481012 -1.252976 +H -1.840303 1.398048 -0.819419 +""", +) + +entry( + index = 3334, + label = "C2H5O-7 + C2HBrF4-2 <=> C2H6O-7 + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.38286e-08,'cm^3/(mol*s)'), n=5.94133, Ea=(9.31288,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97454, dn = +|- 0.0893824, dEa = +|- 0.486416 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC[O] + FC(F)C(F)(F)Br <=> CCO + F[C](F)C(F)(F)Br +barrier = 33.840205 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.238192 -0.535277 -0.241855 +F 0.602759 0.386024 -1.351132 +F -0.137836 1.804377 0.12359 +F 0.126059 -1.667127 0.378749 +F -0.584194 -0.268008 1.867036 +O 2.681829 0.61091 0.91493 +C 3.459853 -1.202207 -0.523884 +C 3.502769 0.270962 -0.169537 +C 0.394545 0.603346 -0.054248 +C -0.474286 -0.491289 0.560262 +H 3.688409 -1.806829 0.352312 +H 4.18452 -1.42714 -1.306228 +H 2.470933 -1.481049 -0.887575 +H 4.507082 0.56094 0.164481 +H 3.277281 0.902187 -1.036193 +H 1.53048 0.570386 0.546468 +""", +) + +entry( + index = 3335, + label = "C2H4Cl-3 + C2H4O-2 <=> C2H5Cl-3 + C2H3O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000670882,'cm^3/(mol*s)'), n=4.48492, Ea=(28.0813,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.72535, dn = +|- 0.0716583, dEa = +|- 0.389962 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + [CH2]CCl <=> [CH2]CDO + CCCl +barrier = 46.809300 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -2.626773 -0.75647 0.890403 +O 2.255813 -1.580936 -0.040684 +C 2.045368 0.749544 -0.350392 +C -0.869781 -0.564989 0.48835 +C -0.636998 0.774658 -0.116049 +C 2.307613 -0.628119 -0.784089 +H 2.285579 0.936926 0.691467 +H 2.346716 1.533938 -1.036255 +H 0.751852 0.806508 -0.327944 +H -0.625039 -1.378195 -0.187002 +H -0.328531 -0.701512 1.419225 +H 2.502797 -0.776718 -1.861467 +H -0.78785 1.621781 0.544771 +H -1.035674 0.920703 -1.114636 +""", +) + +entry( + index = 3336, + label = "C2HCl2 + ClH-2 <=> C2H2Cl2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(131333,'cm^3/(mol*s)'), n=1.87058, Ea=(-4.26914,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06018, dn = +|- 0.00767804, dEa = +|- 0.0417836 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + [CH]DC(Cl)Cl <=> [Cl] + CDC(Cl)Cl +barrier = 0.165451 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 0.418246 1.494449 -0.003554 +Cl 2.440449 -0.603074 0.015965 +Cl -2.9415 -0.2505 0.113131 +C -0.156283 -1.113512 0.083079 +C 0.758595 -0.186197 0.037923 +H -1.61661 -0.616685 0.097143 +H -0.163942 -2.189707 0.114205 +""", +) + +entry( + index = 3337, + label = "HO + C2H2F2-2 <=> H2O + C2HF2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.858668,'cm^3/(mol*s)'), n=4.13126, Ea=(10.4027,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.65153, dn = +|- 0.065914, dEa = +|- 0.358702 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCDCF + [OH] <=> O + F[C]DCF +barrier = 29.217530 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.198394 1.556376 0.00332 +F 2.049791 -0.548109 -0.065551 +O -2.465876 -0.364627 -0.075827 +C -0.112676 0.2865 -0.136904 +C 0.730615 -0.724214 -0.152092 +H -1.324426 0.039965 -0.267298 +H 0.404305 -1.746411 -0.256657 +H -2.510772 -0.35095 0.892549 +""", +) + +entry( + index = 3338, + label = "C2F5-2 + C2H6O-2 <=> C2HF5-2 + C2H5O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(8.24434e-06,'cm^3/(mol*s)'), n=5.04676, Ea=(21.0714,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.05821, dn = +|- 0.094835, dEa = +|- 0.516089 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCO + F[C](F)C(F)(F)F <=> [CH2]CO + FC(F)C(F)(F)F +barrier = 41.058813 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.864728 -1.248887 1.419582 +F 0.193896 0.660102 1.372337 +F -1.877881 -0.704234 -1.086145 +F -0.83636 1.191285 -1.073109 +F -2.408318 0.810034 0.356799 +O 2.573776 1.118322 -0.595727 +C 2.844628 -0.192804 -0.145568 +C -0.343469 -0.31798 0.625749 +C -1.396164 0.258134 -0.307204 +C 1.843539 -1.192405 -0.656892 +H 3.837624 -0.443286 -0.527467 +H 2.903271 -0.23226 0.946741 +H 0.693915 -0.844457 -0.103412 +H 1.638307 -1.113963 -1.72165 +H 1.989543 -2.214941 -0.317379 +H 1.819996 1.469934 -0.11415 +""", +) + +entry( + index = 3339, + label = "HO + CH3Br <=> H2O + CH2Br", + degeneracy = 3.0, + kinetics = Arrhenius(A=(693.013,'cm^3/(mol*s)'), n=3.22239, Ea=(0.217169,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0659, dn = +|- 0.00838502, dEa = +|- 0.045631 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CBr <=> O + [CH2]Br +barrier = 10.522354 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 0.48019 -0.570551 -0.236461 +O -3.016792 -0.382143 -0.19939 +C -0.801939 0.832956 -0.025338 +H -1.875962 0.354439 -0.093134 +H -0.710959 1.542154 -0.838822 +H -0.705933 1.276446 0.958066 +H -2.575257 -1.237568 -0.328643 +""", +) + +entry( + index = 3340, + label = "C2BrF4 + C3H8-3 <=> C2HBrF4 + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(9.655e-06,'cm^3/(mol*s)'), n=5.17092, Ea=(27.953,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.27456, dn = +|- 0.107966, dEa = +|- 0.587549 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Br + CCC <=> FC(F)C(F)(F)Br + [CH2]CC +barrier = 48.195598 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 0.825359 -1.342493 0.828518 +F -0.247381 1.022479 1.540273 +F 1.730782 1.190158 0.691176 +F -0.329177 2.13163 -0.908019 +F 0.683658 0.406743 -1.768875 +C -3.058446 -0.327589 0.514587 +C -2.46783 -0.437885 -0.867596 +C -4.444786 -0.970552 0.586511 +C 0.558552 0.55978 0.581809 +C -0.091999 0.822985 -0.76811 +H -3.127645 0.723013 0.8029 +H -2.395428 -0.80792 1.236842 +H -1.295267 0.16005 -0.831003 +H -2.214074 -1.447769 -1.183839 +H -2.997775 0.113314 -1.642065 +H -4.862364 -0.886048 1.589383 +H -4.394507 -2.028403 0.327709 +H -5.131844 -0.488221 -0.109108 +""", +) + +entry( + index = 3341, + label = "C2F5-2 + C3H8 <=> C2HF5-2 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000464662,'cm^3/(mol*s)'), n=4.74709, Ea=(10.7378,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.66616, dn = +|- 0.0670722, dEa = +|- 0.365004 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)F + CCC <=> FC(F)C(F)(F)F + C[CH]C +barrier = 26.599439 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.652973 -0.39032 -1.527016 +F -0.906447 1.577309 -0.667677 +F -2.422459 0.06924 -0.379501 +F -0.759121 0.520193 1.84131 +F -0.557428 -1.477603 0.986097 +C 2.279909 0.061863 0.272789 +C 2.417911 1.177979 -0.731753 +C 2.607296 -1.319615 -0.23431 +C -1.110854 0.277781 -0.468434 +C -0.362396 -0.173642 0.773551 +H 1.016656 0.014989 0.559882 +H 2.722339 0.289764 1.241684 +H 3.463792 1.291508 -1.030829 +H 1.842357 0.962846 -1.633583 +H 2.080066 2.13204 -0.329251 +H 3.66041 -1.380232 -0.523343 +H 2.011375 -1.558046 -1.116993 +H 2.422877 -2.083267 0.519951 +""", +) + +entry( + index = 3342, + label = "C3HBrF3-2 + CHF3 <=> C3H2BrF3-2 + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3455e-06,'cm^3/(mol*s)'), n=5.29789, Ea=(16.7308,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.39948, dn = +|- 0.114991, dEa = +|- 0.625775 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + [CH]DC(Br)C(F)(F)F <=> F[C](F)F + CDC(Br)C(F)(F)F +barrier = 39.452047 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.553133 -0.660257 -0.596469 +F -1.190186 1.581688 1.152696 +F -1.014628 2.071646 -0.934128 +F 0.741677 1.562398 0.202383 +F 3.023688 0.019146 1.144988 +F 3.198754 0.511857 -0.953514 +F 3.44641 -1.533472 -0.298689 +C -0.549741 1.274702 0.026184 +C 2.798366 -0.39751 -0.086033 +C -0.735265 -0.180571 -0.331098 +C 0.237615 -1.043997 -0.452088 +H 1.525704 -0.633793 -0.247729 +H 0.17136 -2.09198 -0.703685 +""", +) + +entry( + index = 3343, + label = "H + BrHO-2 <=> H2 + BrO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(16.6325,'cm^3/(mol*s)'), n=3.64404, Ea=(16.3543,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.37511, dn = +|- 0.113649, dEa = +|- 0.618476 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + OBr <=> [H][H] + [O]Br +barrier = 42.534784 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 0.441652 0.005037 0.00349 +O -1.292043 -0.396758 0.115396 +H -1.923012 0.607009 0.034718 +H -2.409411 1.382266 -0.038159 +""", +) + +entry( + index = 3344, + label = "CH3-2 + CHBrF2-2 <=> CH4-2 + CBrF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0707831,'cm^3/(mol*s)'), n=3.78433, Ea=(20.7407,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.04331, dn = +|- 0.0938801, dEa = +|- 0.510892 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + FC(F)Br <=> C + F[C](F)Br +barrier = 43.603171 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 0.522446 0.050856 1.494947 +F -0.862273 1.623177 -0.219854 +F 0.158529 -0.009465 -1.187242 +C -2.780006 -1.075939 -0.087243 +C -0.520165 0.345282 -0.102146 +H -1.617476 -0.375574 -0.043315 +H -2.759189 -1.631311 0.843326 +H -2.68591 -1.683633 -0.979499 +H -3.544719 -0.310004 -0.140455 +""", +) + +entry( + index = 3345, + label = "C2BrF4 + CH2O <=> C2HBrF4 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00346092,'cm^3/(mol*s)'), n=4.78055, Ea=(8.44618,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.70142, dn = +|- 0.0698235, dEa = +|- 0.379977 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Br + CDO <=> FC(F)C(F)(F)Br + [CH]DO +barrier = 26.727011 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 2.121985 0.096775 -0.131053 +F -0.043882 1.518018 -0.881512 +F 0.108935 1.234065 1.25758 +F -0.65252 -1.125336 -1.196734 +F -0.498485 -1.411396 0.957529 +O -4.167375 -0.253912 0.269835 +C 0.267589 0.636009 0.073006 +C -0.695796 -0.527552 -0.012632 +C -3.250456 0.484427 0.303572 +H -2.046354 0.049439 0.160361 +H -3.328628 1.580286 0.455315 +""", +) + +entry( + index = 3346, + label = "O + C2H5F-2 <=> HO-2 + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(21908.5,'cm^3/(mol*s)'), n=2.94077, Ea=(4.70792,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.34966, dn = +|- 0.0393948, dEa = +|- 0.214385 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [O] <=> [OH] + C[CH]F +barrier = 15.566172 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.234947 1.397647 -0.302955 +O -1.855071 -0.954979 0.388577 +C 1.280935 -0.729492 -0.209633 +C 0.348226 0.255126 0.419577 +H 2.291291 -0.317828 -0.243987 +H 1.293389 -1.648897 0.372866 +H 0.962531 -0.956013 -1.225989 +H -0.789088 -0.286155 0.423472 +H 0.522289 0.496796 1.46774 +""", +) + +entry( + index = 3347, + label = "C2H3Cl2-3 + CH3Cl <=> C2H4Cl2-3 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.63698e-05,'cm^3/(mol*s)'), n=4.77441, Ea=(28.4801,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.02027, dn = +|- 0.0923906, dEa = +|- 0.502786 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCl + [CH2]C(Cl)Cl <=> [CH2]Cl + CC(Cl)Cl +barrier = 50.717763 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.4172 0.855522 -0.36435 +Cl 0.83301 -1.608582 -0.329391 +Cl -2.674844 -0.14365 -0.914477 +C 0.109157 0.603714 1.032488 +C 0.758487 0.171182 -0.232357 +C -2.298286 -0.526953 0.75066 +H -1.120987 0.039394 0.986448 +H 0.571837 0.202108 1.92845 +H -0.084551 1.671469 1.074494 +H 0.226723 0.505136 -1.115302 +H -2.14231 -1.590044 0.885492 +H -3.006409 -0.071137 1.43191 +""", +) + +entry( + index = 3348, + label = "C6H5-2 + C2H5Cl-2 <=> C6H6-2 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.0265405,'cm^3/(mol*s)'), n=4.60059, Ea=(13.1809,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.59262, dn = +|- 0.0611419, dEa = +|- 0.332732 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [C]1DCCDCCDC1 + CCCl <=> C1DCCDCCDC1 + [CH2]CCl +barrier = 27.526683 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 4.585109 0.987999 0.304647 +C 2.280165 -0.024521 -0.750852 +C 2.800537 0.726767 0.43178 +C -3.011906 -0.302684 0.376054 +C -2.226458 -1.43682 0.538507 +C -2.45506 0.876518 -0.102107 +C -0.871113 -1.398058 0.221892 +C -1.10101 0.92745 -0.422671 +C -0.34852 -0.214345 -0.252239 +H 1.0293 -0.147905 -0.555786 +H 2.369965 0.51269 -1.690974 +H 2.657078 -1.040658 -0.82891 +H 2.643189 0.187139 1.360711 +H 2.360341 1.716084 0.514541 +H -2.666955 -2.352131 0.911342 +H -4.063932 -0.338196 0.623652 +H -3.072456 1.756329 -0.226757 +H -0.250936 -2.276744 0.345182 +H -0.657337 1.841188 -0.798013 +""", +) + +entry( + index = 3349, + label = "O + C2H4F2-3 <=> HO-2 + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1053.55,'cm^3/(mol*s)'), n=3.30416, Ea=(9.83092,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.63572, dn = +|- 0.0646499, dEa = +|- 0.351822 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + [O] <=> [OH] + F[CH]CF +barrier = 24.301208 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.306958 1.451533 0.280815 +F 2.078005 -0.180362 -0.025752 +O -2.312898 -0.977928 -0.302451 +C -0.175515 0.332129 -0.459282 +C 0.787454 -0.64732 0.132348 +H -1.301369 -0.275751 -0.425968 +H -0.024786 0.579886 -1.509219 +H 0.593116 -0.772069 1.197382 +H 0.697434 -1.605743 -0.378663 +""", +) + +entry( + index = 3350, + label = "C2H2F3-5 + CH2O <=> C2H3F3-5 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000155461,'cm^3/(mol*s)'), n=4.87728, Ea=(10.5758,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.88806, dn = +|- 0.0834984, dEa = +|- 0.454395 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]C(F)F + CDO <=> FCC(F)F + [CH]DO +barrier = 32.448677 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.665778 -1.476692 1.206066 +F 1.076813 -0.986713 -0.889373 +F 0.971435 1.733442 -0.167388 +O -2.981352 0.507065 -0.363313 +C 1.206825 -0.540711 0.390054 +C 0.432395 0.727543 0.560301 +C -1.924493 0.132179 -0.731819 +H 2.2754 -0.45604 0.601258 +H 0.232233 1.021504 1.586409 +H -0.851957 0.412826 -0.076544 +H -1.757184 -0.484156 -1.638566 +""", +) + +entry( + index = 3351, + label = "F + C3H2F4-2 <=> FH + C3HF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.35148e+06,'cm^3/(mol*s)'), n=2.1439, Ea=(2.7353,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.09718, dn = +|- 0.0121848, dEa = +|- 0.0663094 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCDCC(F)(F)F + [F] <=> F + FCD[C]C(F)(F)F +barrier = 6.879164 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.697064 0.299779 1.12703 +F -1.393771 0.794802 -0.941321 +F -1.448944 -1.273377 -0.326781 +F 2.55655 -0.921114 0.036596 +F 1.385206 1.995291 -0.008174 +C -1.034218 -0.04847 0.023247 +C 0.44072 -0.030204 0.244798 +C 1.248153 -1.03093 -0.055402 +H 0.883314 0.958354 0.652182 +H 0.910686 -2.014641 -0.358082 +""", +) + +entry( + index = 3352, + label = "CH3-2 + C2HF3O <=> CH4-2 + C2F3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.172248,'cm^3/(mol*s)'), n=3.74107, Ea=(11.918,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.8989, dn = +|- 0.084251, dEa = +|- 0.458491 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCC(F)(F)F + [CH3] <=> C + OD[C]C(F)(F)F +barrier = 35.081347 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.357089 0.092624 1.763635 +F -0.927606 -1.309607 0.224428 +F -1.954429 0.582782 0.395087 +O 0.080852 1.477989 -1.174429 +C -0.780506 -0.013543 0.503223 +C 0.292183 0.581911 -0.436746 +C 2.697925 -0.683536 -0.168118 +H 1.428432 -0.015088 -0.312752 +H 2.467922 -1.706841 -0.439718 +H 2.938884 -0.527552 0.8766 +H 3.318666 -0.144356 -0.873288 +""", +) + +entry( + index = 3353, + label = "CF3-2 + CH2Cl2 <=> CHF3-2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.90156e-05,'cm^3/(mol*s)'), n=5.31003, Ea=(15.6325,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.36798, dn = +|- 0.113254, dEa = +|- 0.616326 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + ClCCl <=> FC(F)F + Cl[CH]Cl +barrier = 37.723859 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.515797 -1.465855 -0.421582 +Cl -1.516558 1.469106 -0.407215 +F 2.230767 -1.083137 0.532849 +F 2.229175 1.080216 0.542352 +F 1.851889 0.006286 -1.297866 +C -0.983246 -0.002038 0.360721 +C 1.681735 0.000444 0.01124 +H 0.296701 -0.00121 0.267536 +H -1.237959 -0.007253 1.413581 +""", +) + +entry( + index = 3354, + label = "O + C2H5Cl <=> HO-2 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(22701.4,'cm^3/(mol*s)'), n=2.92354, Ea=(4.94648,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.34277, dn = +|- 0.0387227, dEa = +|- 0.210727 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + CCCl <=> [OH] + C[CH]Cl +barrier = 15.739037 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.265159 0.554956 -0.125461 +O 0.674807 -2.188635 0.250161 +C 1.441744 0.924573 -0.278701 +C 0.343714 0.284496 0.516473 +H 2.408188 0.649298 0.142788 +H 1.402174 0.598275 -1.316042 +H 1.34545 2.011229 -0.250894 +H 0.345968 0.479336 1.584517 +H 0.503811 -0.953491 0.436301 +""", +) + +entry( + index = 3355, + label = "C4H3-3 + CHCl3-2 <=> C4H4-3 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0990796,'cm^3/(mol*s)'), n=3.96996, Ea=(-0.352308,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14386, dn = +|- 0.0176581, dEa = +|- 0.0960949 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCC#C + ClC(Cl)Cl <=> C#CCDC + Cl[C](Cl)Cl +barrier = 8.849520 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 0.387359 -0.719574 -1.612664 +Cl 2.2787 0.701603 0.080936 +Cl 0.587285 -1.375268 1.217082 +C 0.733905 -0.13028 -0.002701 +C -2.350788 1.314813 0.549986 +C -2.735347 -0.030464 0.265527 +C -1.101527 1.735694 0.559085 +C -3.065672 -1.157532 0.02774 +H -0.114328 0.732198 0.256966 +H -3.155279 2.015146 0.769167 +H -0.695914 2.717629 0.7579 +H -3.347606 -2.160309 -0.184655 +""", +) + +entry( + index = 3356, + label = "C2H4Cl-4 + C3H6 <=> C2H5Cl-4 + C3H5", + degeneracy = 3.0, + kinetics = Arrhenius(A=(5.31277e-06,'cm^3/(mol*s)'), n=4.87312, Ea=(23.3871,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.1059, dn = +|- 0.0978447, dEa = +|- 0.532467 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCC + C[CH]Cl <=> [CH2]CDC + CCCl +barrier = 45.520440 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.385991 -0.545757 -1.038225 +C 0.628682 1.620616 0.446663 +C 0.952922 0.16241 0.508613 +C -2.101241 -0.705894 -0.400892 +C -1.484063 -0.903733 0.907673 +C -2.872881 0.334625 -0.723846 +H -0.193312 1.792564 -0.249112 +H 1.486866 2.209372 0.114961 +H 0.330709 1.971151 1.435557 +H -0.273906 -0.458971 0.802334 +H 1.644131 -0.166599 1.276307 +H -1.865917 -1.43876 -1.165238 +H -1.903544 -0.299457 1.708692 +H -1.320187 -1.936744 1.200323 +H -3.272666 0.454383 -1.720678 +H -3.13151 1.089411 0.009612 +""", +) + +entry( + index = 3357, + label = "C4H5-8 + CHCl3-2 <=> C4H6-8 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.138829,'cm^3/(mol*s)'), n=3.91672, Ea=(-0.469996,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.12821, dn = +|- 0.0158488, dEa = +|- 0.0862487 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCCDC + ClC(Cl)Cl <=> CDCCDC + Cl[C](Cl)Cl +barrier = 8.464377 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.435639 -0.864251 -0.173236 +Cl 0.719922 0.597815 1.66766 +Cl 0.887658 1.409967 -1.12305 +C 0.967953 0.077504 0.012487 +C -2.629969 0.255515 -0.153009 +C -2.267208 -1.108703 -0.525229 +C -3.888443 0.679161 -0.104098 +C -1.041159 -1.586281 -0.588534 +H 0.030442 -0.698856 -0.268096 +H -1.818374 0.932316 0.089436 +H -3.096167 -1.775286 -0.768339 +H -4.132027 1.694219 0.174689 +H -4.712066 0.017554 -0.343016 +H -0.675392 -2.569387 -0.84976 +""", +) + +entry( + index = 3358, + label = "C2BrF4 + C2H6 <=> C2HBrF4 + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.000361192,'cm^3/(mol*s)'), n=4.96396, Ea=(22.6327,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.96831, dn = +|- 0.0889672, dEa = +|- 0.484156 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC + F[C](F)C(F)(F)Br <=> C[CH2] + FC(F)C(F)(F)Br +barrier = 41.517834 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.04435 -0.458558 -0.146915 +F -0.123051 -0.766985 1.71989 +F 0.360945 -1.677263 -0.181636 +F 0.643937 0.80172 -1.302125 +F 0.190458 1.712037 0.626211 +C 3.217721 0.130505 0.568769 +C 3.709837 -0.409848 -0.746054 +C -0.183422 -0.602582 0.396937 +C 0.634609 0.614299 0.017976 +H 1.921651 0.380099 0.393098 +H 3.610619 1.099859 0.862752 +H 3.200524 -0.576724 1.394036 +H 3.595699 0.322507 -1.544231 +H 3.167395 -1.310966 -1.03089 +H 4.76975 -0.669308 -0.685259 +""", +) + +entry( + index = 3359, + label = "C2F5-2 + BrH <=> C2HF5-2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1874.3,'cm^3/(mol*s)'), n=2.66823, Ea=(-0.251981,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08013, dn = +|- 0.0101266, dEa = +|- 0.0551085 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Br + F[C](F)C(F)(F)F <=> [Br] + FC(F)C(F)(F)F +barrier = 5.512831 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 2.086009 -0.912218 0.031038 +F -0.61157 1.489245 1.063962 +F -0.602272 1.455397 -1.107249 +F -1.546579 -1.115729 -1.063572 +F -1.566812 -1.072803 1.098592 +F -2.898346 0.203456 -0.020865 +C -0.612453 0.74136 -0.010174 +C -1.684921 -0.343906 0.001522 +H 0.811037 -0.130946 0.011565 +""", +) + +entry( + index = 3360, + label = "F + C3H2BrF3 <=> FH + C3HBrF3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.9605e+07,'cm^3/(mol*s)'), n=2.02469, Ea=(-0.273529,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05469, dn = +|- 0.00699527, dEa = +|- 0.038068 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [F] + CDC(Br)C(F)(F)F <=> F + [CH]DC(Br)C(F)(F)F +barrier = 0.437455 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.665235 0.623283 0.18049 +F -1.941199 -1.143216 -0.266166 +F -0.390788 -1.614193 1.154619 +F 0.004052 -1.750372 -0.956265 +F -3.13463 1.316589 0.52554 +C -0.63952 -1.046484 -0.024155 +C -0.186781 0.396313 -0.030887 +C -0.993235 1.423929 -0.200919 +H -0.707012 2.46206 -0.134949 +H -2.104032 1.228784 -0.401076 +""", +) + +entry( + index = 3361, + label = "C2H3Cl2-4 + CH4O <=> C2H4Cl2-4 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.44798e-06,'cm^3/(mol*s)'), n=4.92006, Ea=(22.7787,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.09398, dn = +|- 0.0970985, dEa = +|- 0.528406 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + Cl[CH]CCl <=> [CH2]O + ClCCCl +barrier = 46.057940 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.1279 -1.195577 0.002518 +Cl -2.105157 -0.414401 0.099719 +O -0.224897 2.153436 -0.663714 +C 0.52081 -0.75834 0.559636 +C -0.512523 -1.008566 -0.493408 +C 0.403912 1.924984 0.547367 +H 0.520823 0.629216 0.708743 +H 0.313648 -1.191393 1.531964 +H -0.282683 -0.457452 -1.401733 +H -0.641869 -2.064618 -0.72165 +H -0.147809 2.270889 1.421567 +H 1.425864 2.289549 0.508078 +H -1.155522 1.92019 -0.58267 +""", +) + +entry( + index = 3362, + label = "C3HF4-4 + CHF3 <=> C3H2F4-4 + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00045842,'cm^3/(mol*s)'), n=4.84647, Ea=(11.1914,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.76678, dn = +|- 0.0747758, dEa = +|- 0.406927 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + FCD[C]C(F)(F)F <=> FCDCC(F)(F)F + F[C](F)F +barrier = 27.990544 kJ/mol + +Atom XYZ coordinates (angstrom) +F 2.867427 0.409503 -0.342636 +F 1.885477 -1.132914 0.803773 +F 1.636025 -1.062474 -1.329764 +F -1.761625 -1.880269 0.119523 +F -2.608535 -0.12083 -0.809964 +F -2.359915 -0.195278 1.335887 +F -0.6046 2.548698 0.135405 +C 1.738092 -0.304262 -0.234159 +C -1.851353 -0.564179 0.175539 +C 0.532703 1.877003 -0.02018 +C 0.553312 0.568742 -0.066755 +H -0.6892 -0.066178 0.057958 +H 1.402857 2.518385 -0.100303 +""", +) + +entry( + index = 3363, + label = "HO + C2H2F4-2 <=> H2O + C2HF4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(168.527,'cm^3/(mol*s)'), n=3.39716, Ea=(1.86489,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14562, dn = +|- 0.0178605, dEa = +|- 0.097196 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)F + [OH] <=> O + F[C](F)C(F)F +barrier = 12.569700 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.487563 -1.523453 -1.013384 +F 0.739602 0.548769 -1.631806 +F -0.894748 1.334807 0.435572 +F -1.257173 -0.765209 0.91346 +O 1.945489 0.342827 1.300832 +C 0.43595 -0.25471 -0.608934 +C -0.948929 0.085653 -0.077288 +H 1.239001 -0.082287 0.270836 +H -1.712901 0.045328 -0.8557 +H 1.383562 1.079826 1.594159 +""", +) + +entry( + index = 3364, + label = "CH3-2 + CH3Br <=> CH4-2 + CH2Br", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00504292,'cm^3/(mol*s)'), n=4.7148, Ea=(31.7665,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.06121, dn = +|- 0.0950263, dEa = +|- 0.517129 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + CBr <=> C + [CH2]Br +barrier = 55.456684 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -0.332598 0.046877 1.328885 +C 0.644793 0.775971 -0.139839 +C 3.052846 -0.373243 -0.004881 +H 1.84326 0.226354 -0.101491 +H 0.192899 0.486686 -1.080395 +H 0.780871 1.84304 -0.015799 +H 3.637642 0.019313 -0.828912 +H 2.819266 -1.428853 -0.085691 +H 3.40585 -0.074615 0.975737 +""", +) + +entry( + index = 3365, + label = "O + C2HBrF4-2 <=> HO-2 + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.32352,'cm^3/(mol*s)'), n=3.85055, Ea=(15.9019,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.20421, dn = +|- 0.103838, dEa = +|- 0.565085 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + FC(F)C(F)(F)Br <=> [OH] + F[C](F)C(F)(F)Br +barrier = 35.411744 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -1.723326 -0.138518 0.004352 +F 1.089578 -1.179209 1.085774 +F 1.078931 -1.19709 -1.087901 +F 0.210967 1.409146 1.063388 +F 0.200131 1.391126 -1.099686 +O 3.320761 0.776834 -0.027132 +C 1.125853 -0.439776 -0.007424 +C 0.046538 0.642773 -0.011044 +H 2.259632 0.203649 -0.018195 +""", +) + +entry( + index = 3366, + label = "O + C2H5F <=> HO-2 + C2H4F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(536.187,'cm^3/(mol*s)'), n=3.38735, Ea=(12.2733,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.65889, dn = +|- 0.0664982, dEa = +|- 0.361881 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [O] <=> [OH] + [CH2]CF +barrier = 27.556633 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.199628 -0.179321 1.333934 +O 1.811116 1.354563 0.821332 +C 0.450787 -0.402398 -0.327542 +C -0.954365 -0.008057 -0.014631 +H 1.204631 0.461251 0.282586 +H 0.764204 -1.351554 0.097731 +H 0.731375 -0.276217 -1.369693 +H -1.664562 -0.635507 -0.562248 +H -1.143558 1.037239 -0.261468 +""", +) + +entry( + index = 3367, + label = "HO + C2H2Cl4 <=> H2O + C2HCl4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(290.52,'cm^3/(mol*s)'), n=3.22364, Ea=(-2.30592,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05701, dn = +|- 0.00728429, dEa = +|- 0.0396408 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + ClCC(Cl)(Cl)Cl <=> O + Cl[CH]C(Cl)(Cl)Cl +barrier = 6.526486 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.065737 1.726031 -0.370713 +Cl 1.510935 -1.134114 -0.407962 +Cl 0.006319 0.069249 1.757701 +Cl -1.778789 -1.487845 -0.544142 +O -2.369606 1.879679 0.075363 +C 0.358031 0.144907 0.017995 +C -0.915921 0.007811 -0.798347 +H -0.704363 0.150321 -1.854611 +H -2.030544 1.829713 0.98524 +H -1.644798 0.889042 -0.479758 +""", +) + +entry( + index = 3368, + label = "HO + C2H3Cl3-2 <=> H2O + C2H2Cl3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(271.044,'cm^3/(mol*s)'), n=3.10018, Ea=(-3.2763,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03694, dn = +|- 0.00476512, dEa = +|- 0.0259316 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + ClCC(Cl)Cl <=> O + Cl[CH]C(Cl)Cl +barrier = 4.743890 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -2.25264 -0.216385 0.174343 +Cl 1.964147 0.532917 -0.145806 +Cl 0.561291 -2.013651 0.077316 +O -0.443817 2.796774 0.211802 +C -0.693512 0.347547 -0.39564 +C 0.453384 -0.267078 0.366099 +H -0.678716 1.503994 -0.175974 +H -0.60509 0.206743 -1.469134 +H 0.351845 -0.115242 1.43443 +H 0.514614 2.837842 0.055515 +""", +) + +entry( + index = 3369, + label = "C2ClF4 + C3H8-3 <=> C2HClF4 + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(3.34791e-05,'cm^3/(mol*s)'), n=5.09024, Ea=(24.3142,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.12511, dn = +|- 0.0990373, dEa = +|- 0.538957 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Cl + CCC <=> FC(F)C(F)(F)Cl + [CH2]CC +barrier = 43.799370 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.618863 -1.183376 -1.57927 +F 1.47207 -0.970328 0.951773 +F 2.444926 0.675783 -0.051827 +F -0.065273 1.246589 0.955311 +F -0.013042 1.325622 -1.220644 +C -2.964847 -0.46085 0.757794 +C -1.963027 -1.211249 -0.08006 +C -3.440955 0.820493 0.082879 +C 1.431207 -0.191223 -0.132527 +C 0.088503 0.524149 -0.160336 +H -2.528107 -0.231055 1.731922 +H -3.822132 -1.112519 0.956101 +H -0.924264 -0.41098 -0.18696 +H -1.532881 -2.102054 0.37133 +H -2.252598 -1.370759 -1.117113 +H -4.177823 1.339893 0.693413 +H -3.896308 0.601556 -0.88374 +H -2.608437 1.504241 -0.088804 +""", +) + +entry( + index = 3370, + label = "C4H5-8 + C2H4Cl2 <=> C4H6-8 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.00239311,'cm^3/(mol*s)'), n=4.53779, Ea=(9.21257,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.53347, dn = +|- 0.0561696, dEa = +|- 0.305673 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCCDC + ClCCCl <=> CDCCDC + Cl[CH]CCl +barrier = 25.115417 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.967133 1.531085 -0.885994 +Cl -2.297931 -1.882109 -0.467976 +C -0.699118 0.317416 -0.760342 +C -1.019317 -0.801232 0.17796 +C 2.791241 -0.357245 -0.302995 +C 2.533344 0.879502 0.429609 +C 3.955963 -0.996302 -0.275478 +C 1.378793 1.517648 0.449017 +H 0.28984 0.911056 -0.252617 +H -0.401409 -0.0023 -1.754357 +H -1.37232 -0.42354 1.133062 +H -0.135501 -1.416509 0.332739 +H 1.974667 -0.750098 -0.89994 +H 3.375625 1.28653 0.990368 +H 4.114196 -1.909128 -0.831445 +H 4.786842 -0.618493 0.307489 +H 1.098062 2.430805 0.955198 +""", +) + +entry( + index = 3371, + label = "CF3-2 + CH2F2 <=> CHF3-2 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(7.17589e-08,'cm^3/(mol*s)'), n=6.08849, Ea=(19.9441,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.72266, dn = +|- 0.172691, dEa = +|- 0.939779 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + F[C](F)F <=> FC(F)F + F[CH]F +barrier = 49.437747 kJ/mol + +Atom XYZ coordinates (angstrom) +F 1.768713 -0.385063 1.427325 +F 1.897065 1.133894 -0.133758 +F -1.685274 -1.259269 0.279016 +F -1.557818 0.246071 -1.268298 +F -1.595138 0.834905 0.812644 +C 1.520415 -0.116391 0.143529 +C -1.176352 -0.080328 -0.043262 +H 0.211885 -0.151755 0.001535 +H 2.005048 -0.835517 -0.516342 +""", +) + +entry( + index = 3372, + label = "HO + C2HCl2F3 <=> H2O + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(637.287,'cm^3/(mol*s)'), n=3.13583, Ea=(-2.38455,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04369, dn = +|- 0.0056186, dEa = +|- 0.0305762 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + FC(F)(F)C(Cl)Cl <=> O + FC(F)(F)[C](Cl)Cl +barrier = 5.251177 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -0.782643 1.504038 -0.932996 +Cl -0.84916 -1.405639 -1.187303 +F 1.860328 0.027693 -0.65372 +F 1.198531 -1.267636 0.934972 +F 1.183909 0.866835 1.21553 +O -1.681832 -0.066862 2.03166 +C 0.978022 -0.109473 0.326667 +C -0.463268 -0.038366 -0.179114 +H -1.146106 -0.109817 0.777011 +H -1.121258 0.606579 2.453274 +""", +) + +entry( + index = 3373, + label = "C2H3 + C2H4Cl2 <=> C2H4 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.00424327,'cm^3/(mol*s)'), n=4.49947, Ea=(9.11746,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.53467, dn = +|- 0.0562724, dEa = +|- 0.306232 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + ClCCCl <=> CDC + Cl[CH]CCl +barrier = 26.131004 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.736226 -1.262296 -0.04874 +Cl 2.433646 -0.196275 -0.079205 +C -0.158097 -0.647529 0.444665 +C 0.874069 -0.890754 -0.617042 +C -1.591937 2.349336 -0.164965 +C -0.462247 1.997018 0.399548 +H -0.282123 0.621865 0.541918 +H 0.1016 -1.027962 1.426931 +H 0.597359 -0.396586 -1.544652 +H 1.036125 -1.950526 -0.798432 +H -1.838623 3.392319 -0.346571 +H -2.327035 1.612275 -0.470135 +H 0.363017 2.603036 0.749543 +""", +) + +entry( + index = 3374, + label = "C2BrF4 + H2O2 <=> C2HBrF4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000165712,'cm^3/(mol*s)'), n=4.56635, Ea=(3.77626,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47188, dn = +|- 0.050784, dEa = +|- 0.276365 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Br + OO <=> FC(F)C(F)(F)Br + [O]O +barrier = 24.391866 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.98758 0.104325 0.302438 +F -0.417574 1.062584 1.052015 +F 0.073621 1.465272 -1.016114 +F -0.698708 -1.599045 0.46302 +F -0.257215 -1.172328 -1.624289 +O -3.017131 0.242056 -0.496196 +O -3.364885 -0.021275 0.812049 +C 0.136825 0.551648 -0.051993 +C -0.669897 -0.669603 -0.47427 +H -1.972954 -0.189623 -0.602093 +H -3.133729 0.795745 1.275881 +""", +) + +entry( + index = 3375, + label = "C6H5-2 + CHCl3-2 <=> C6H6-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(139.282,'cm^3/(mol*s)'), n=2.85817, Ea=(-0.488744,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.10636, dn = +|- 0.0132788, dEa = +|- 0.0722628 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [C]1DCCDCCDC1 + ClC(Cl)Cl <=> C1DCCDCCDC1 + Cl[C](Cl)Cl +barrier = 4.924999 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.131764 -0.447022 -1.64552 +Cl 2.056347 -1.002696 1.210701 +Cl 2.017706 1.751256 0.263703 +C 1.572706 0.087558 -0.073004 +C -3.815091 -0.039185 -0.237106 +C -3.084779 -1.193535 -0.489064 +C -3.171452 1.155419 0.058038 +C -1.692703 -1.162196 -0.447881 +C -1.77952 1.207492 0.10401 +C -1.097141 0.041795 -0.152574 +H 0.337117 0.066393 -0.111071 +H -3.594016 -2.120196 -0.717886 +H -4.895381 -0.071076 -0.271096 +H -3.747942 2.049834 0.253137 +H -1.108086 -2.052166 -0.641425 +H -1.262049 2.129971 0.331897 +""", +) + +entry( + index = 3376, + label = "C2BrF4 + BrH <=> C2HBrF4 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1195.35,'cm^3/(mol*s)'), n=2.65996, Ea=(-0.786561,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08592, dn = +|- 0.0108288, dEa = +|- 0.0589298 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Br + F[C](F)C(F)(F)Br <=> [Br] + FC(F)C(F)(F)Br +barrier = 5.050878 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 2.683547 -0.005039 0.001469 +Br -2.951894 -0.770738 0.00039 +F -0.0621 1.318421 -1.079992 +F -0.061066 1.314389 1.089956 +F 0.602546 -1.333257 -1.082824 +F 0.603365 -1.337335 1.082308 +C -0.10907 0.587872 0.003656 +C 0.832447 -0.601593 0.001031 +H -1.590004 -0.140865 0.002162 +""", +) + +entry( + index = 3377, + label = "C3HF4-5 + CHF3 <=> C3H2F4-5 + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.23788e-05,'cm^3/(mol*s)'), n=5.02847, Ea=(13.6708,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.00664, dn = +|- 0.0915013, dEa = +|- 0.497947 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + [CH]DC(F)C(F)(F)F <=> CDC(F)C(F)(F)F + F[C](F)F +barrier = 33.067102 kJ/mol + +Atom XYZ coordinates (angstrom) +F -2.812422 0.463008 1.092621 +F -2.814906 0.526536 -1.057214 +F -2.679117 -1.370874 -0.037581 +F -0.402589 1.286813 0.038258 +F 3.435767 -1.09126 -0.034799 +F 2.728606 0.610937 1.095839 +F 2.727228 0.672947 -1.06506 +C -2.296652 -0.097379 -0.000392 +C -0.790054 0.010408 0.001056 +C 0.051137 -0.988384 -0.029371 +C 2.563262 -0.097246 -0.005714 +H 1.376954 -0.580388 -0.018798 +H -0.165215 -2.042797 -0.060254 +""", +) + +entry( + index = 3378, + label = "Cl + C2HCl2F3 <=> ClH + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(358928,'cm^3/(mol*s)'), n=2.46348, Ea=(-1.00205,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.12109, dn = +|- 0.0150173, dEa = +|- 0.0817234 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + FC(F)(F)C(Cl)Cl <=> Cl + FC(F)(F)[C](Cl)Cl +barrier = 1.142691 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -0.044935 1.330104 1.456187 +Cl -0.045302 1.327757 -1.458301 +Cl -2.3307 -1.187297 0.000535 +F 0.988772 -1.418404 1.07826 +F 2.299289 -0.089959 -0.000167 +F 0.988552 -1.420119 -1.076201 +C 1.095812 -0.655533 0.000407 +C -0.004885 0.412617 -0.000331 +H -1.08744 -0.289451 0.000494 +""", +) + +entry( + index = 3379, + label = "C2H3 + C2H4Cl2-2 <=> C2H4 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.0045434,'cm^3/(mol*s)'), n=4.59758, Ea=(18.3602,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.68571, dn = +|- 0.0686053, dEa = +|- 0.373347 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + CC(Cl)Cl <=> CDC + [CH2]C(Cl)Cl +barrier = 35.464171 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.058043 0.820667 -0.585549 +Cl 0.577545 -1.648916 -0.054625 +C -0.410304 0.789088 0.545898 +C 0.425796 0.08114 -0.462941 +C -3.644829 0.332439 -0.405347 +C -2.787069 -0.388187 0.276916 +H -1.562418 0.202578 0.504405 +H -0.604342 1.824332 0.277882 +H -0.050458 0.674044 1.563792 +H 0.005463 0.123915 -1.460771 +H -4.6329 -0.040483 -0.659315 +H -3.403256 1.334846 -0.742375 +H -2.882374 -1.392125 0.66874 +""", +) + +entry( + index = 3380, + label = "C3HF4-6 + CHF3 <=> C3H2F4-6 + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.61034e-07,'cm^3/(mol*s)'), n=5.84404, Ea=(22.5218,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.40235, dn = +|- 0.16087, dEa = +|- 0.875451 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + F[C]DCC(F)(F)F <=> FCDCC(F)(F)F + F[C](F)F +barrier = 48.944628 kJ/mol + +Atom XYZ coordinates (angstrom) +F -2.856782 -0.758819 -1.263416 +F -2.709365 1.074564 -0.140384 +F -2.881348 -0.812737 0.885648 +F -0.168823 1.897686 -0.090689 +F 2.501012 -1.524215 -0.146379 +F 3.218783 0.173549 0.985902 +F 3.243268 0.228036 -1.175126 +C -2.328232 -0.199736 -0.167999 +C -0.840671 -0.366637 -0.155182 +C 0.041799 0.607204 -0.120659 +C 2.590797 -0.203222 -0.112053 +H -0.482564 -1.385995 -0.17667 +H 1.367114 0.275877 -0.113828 +""", +) + +entry( + index = 3381, + label = "CH2Br-2 + C2H6 <=> CH3Br-2 + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.00120598,'cm^3/(mol*s)'), n=4.79032, Ea=(36.5156,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.06602, dn = +|- 0.0953326, dEa = +|- 0.518796 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]Br + CC <=> CBr + C[CH2] +barrier = 58.849802 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -1.554895 0.027945 -0.035168 +C 3.306212 0.051703 -0.219622 +C 0.0437 1.037562 0.21803 +C 2.061288 -0.720745 0.128142 +H 4.17272 -0.608865 -0.304393 +H 3.198041 0.568576 -1.173295 +H 3.538613 0.795379 0.542786 +H 0.204504 1.717423 -0.609343 +H 0.054066 1.502422 1.19583 +H 1.06522 0.145362 0.193761 +H 2.056046 -1.176713 1.11481 +H 1.710649 -1.409964 -0.635889 +""", +) + +entry( + index = 3382, + label = "C2H2F3-6 + CH2O <=> C2H3F3-6 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0113618,'cm^3/(mol*s)'), n=4.21979, Ea=(7.67488,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.37854, dn = +|- 0.0421761, dEa = +|- 0.229521 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]C(F)(F)F + CDO <=> CC(F)(F)F + [CH]DO +barrier = 24.388333 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.996809 -0.745289 -1.041741 +F -2.302737 0.509054 0.127487 +F -0.753335 -0.630689 1.100244 +O 3.284585 0.008654 -0.481022 +C -1.030234 0.099272 0.004768 +C -0.059872 1.206284 -0.164755 +C 2.182866 -0.389444 -0.334315 +H -0.132488 1.725336 -1.111573 +H 0.074981 1.823053 0.714202 +H 1.21004 0.397915 -0.26582 +H 1.90767 -1.459364 -0.24567 +""", +) + +entry( + index = 3383, + label = "C6H5-2 + C2H5Cl <=> C6H6-2 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0270753,'cm^3/(mol*s)'), n=4.39392, Ea=(5.38839,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.3799, dn = +|- 0.0423055, dEa = +|- 0.230225 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [C]1DCCDCCDC1 + CCCl <=> C1DCCDCCDC1 + C[CH]Cl +barrier = 18.121490 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.68637 -0.86738 -0.102755 +C 2.097643 1.604252 -1.115672 +C -3.323104 -0.605758 0.031617 +C -2.984479 0.729011 0.213189 +C -2.333667 -1.573545 -0.086237 +C -1.645336 1.10585 0.278778 +C -0.990515 -1.210361 -0.022815 +C -0.68841 0.121218 0.159932 +C 1.919694 0.718844 0.08407 +H 1.575672 2.54791 -0.951568 +H 3.151707 1.817448 -1.297111 +H 1.682758 1.128594 -2.003372 +H -3.760279 1.477917 0.303986 +H -4.364399 -0.893233 -0.018634 +H -2.604665 -2.611484 -0.227868 +H -1.373225 2.144111 0.420652 +H -0.20769 -1.952429 -0.114255 +H 0.695523 0.467158 0.197138 +H 2.237352 1.145807 1.030113 +""", +) + +entry( + index = 3384, + label = "C2H4Cl-3 + C3H4 <=> C2H5Cl-3 + C3H3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.000298997,'cm^3/(mol*s)'), n=4.75289, Ea=(28.2983,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.0476, dn = +|- 0.0941558, dEa = +|- 0.512392 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCDC + [CH2]CCl <=> [CH]DCDC + CCCl +barrier = 49.005781 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -2.371854 -1.131054 0.277535 +C -0.604288 0.869483 -0.257643 +C -0.65668 -0.548974 0.184354 +C 3.194528 -0.982536 0.521451 +C 2.657174 0.151905 0.137562 +C 2.045184 1.212937 -0.227248 +H 0.745449 1.120653 -0.266098 +H -0.906179 1.051043 -1.283811 +H -0.996349 1.594103 0.448287 +H -0.152927 -1.214515 -0.510054 +H -0.240828 -0.685254 1.178038 +H 3.480306 -1.734386 -0.20174 +H 3.387968 -1.179505 1.567269 +H 2.419595 2.183044 -0.512042 +""", +) + +entry( + index = 3385, + label = "H + C2HBrF4-2 <=> H2 + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.90813,'cm^3/(mol*s)'), n=3.94265, Ea=(22.1002,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.84142, dn = +|- 0.137201, dEa = +|- 0.746641 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + FC(F)C(F)(F)Br <=> [H][H] + F[C](F)C(F)(F)Br +barrier = 47.737439 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.432572 -0.22663 -0.002455 +F -1.43962 -1.098843 1.087666 +F -1.442166 -1.095133 -1.088749 +F -0.401534 1.429563 -1.078795 +F -0.398974 1.42584 1.083919 +C -1.441091 -0.340537 0.000748 +C -0.293402 0.655922 0.001107 +H -2.566565 0.364962 0.003205 +H -3.415378 0.801834 0.00451 +""", +) + +entry( + index = 3386, + label = "C2H4Cl-4 + C3H4 <=> C2H5Cl-4 + C3H3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(7.37363e-05,'cm^3/(mol*s)'), n=4.9232, Ea=(30.5433,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.25747, dn = +|- 0.106976, dEa = +|- 0.582158 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCDC + C[CH]Cl <=> [CH]DCDC + CCCl +barrier = 52.470249 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -2.331252 -0.202471 -0.471385 +C -0.428468 1.732458 -0.084814 +C -1.032349 0.489462 0.487222 +C 3.203257 0.138994 -0.209275 +C 2.123548 -0.569184 0.039284 +C 1.029623 -1.17706 0.284953 +H -0.069405 1.548688 -1.097074 +H 0.417278 2.040205 0.531175 +H -1.15412 2.547519 -0.116602 +H -0.032319 -0.406033 0.439983 +H -1.322969 0.521659 1.531707 +H 3.483458 0.385399 -1.224412 +H 3.848019 0.468991 0.593885 +H 0.790621 -2.224386 0.374142 +""", +) + +entry( + index = 3387, + label = "CH3-2 + C2HBrF4-2 <=> CH4-2 + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00253506,'cm^3/(mol*s)'), n=4.77398, Ea=(22.3387,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.04046, dn = +|- 0.0936967, dEa = +|- 0.509894 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + FC(F)C(F)(F)Br <=> C + F[C](F)C(F)(F)Br +barrier = 45.061144 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.803179 0.167704 -0.106872 +F -0.838395 -1.434807 -0.906583 +F -0.770405 -1.142095 1.252026 +F -0.381403 1.232582 -1.274336 +F -0.313917 1.523346 0.867443 +C -0.986646 -0.551063 0.078477 +C -0.077562 0.648692 -0.112966 +C -3.545275 0.261908 0.048643 +H -2.235073 -0.115903 0.058847 +H -3.49221 1.340913 -0.039639 +H -3.919552 -0.09752 0.999873 +H -3.947558 -0.245126 -0.820365 +""", +) + +entry( + index = 3388, + label = "H + C2HCl2F3 <=> H2 + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(26.1997,'cm^3/(mol*s)'), n=3.62444, Ea=(16.9611,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.34564, dn = +|- 0.112009, dEa = +|- 0.60955 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + FC(F)(F)C(Cl)Cl <=> [H][H] + FC(F)(F)[C](Cl)Cl +barrier = 40.262102 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.277325 -1.458625 -0.296967 +Cl 1.274286 1.461125 -0.304223 +F -1.515551 -1.076062 0.617584 +F -1.517779 1.077298 0.612294 +F -1.291325 -0.003705 -1.238994 +C -0.97506 -0.000206 0.052017 +C 0.532828 0.00191 0.2758 +H 0.644948 0.005179 1.565992 +H 0.688982 0.00759 2.541484 +""", +) + +entry( + index = 3389, + label = "CH3-2 + BrHO-2 <=> CH4-2 + BrO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.061911,'cm^3/(mol*s)'), n=4.18155, Ea=(7.41213,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.38956, dn = +|- 0.0432225, dEa = +|- 0.235215 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OBr + [CH3] <=> [O]Br + C +barrier = 29.766603 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 2.541551 0.39 -0.34592 +O 1.255479 -0.487155 -1.218299 +C -0.872934 0.016404 -0.004401 +H 0.204904 -0.263004 -0.651715 +H -1.644799 -0.519603 -0.544667 +H -0.9364 1.096359 -0.075303 +H -0.672901 -0.35952 0.992597 +""", +) + +entry( + index = 3390, + label = "C2H3 + CHBrF2-2 <=> C2H4 + CBrF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00276522,'cm^3/(mol*s)'), n=4.56327, Ea=(8.02108,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.57119, dn = +|- 0.0593616, dEa = +|- 0.323044 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)Br + [CH]DC <=> F[C](F)Br + CDC +barrier = 25.042886 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 0.49538 0.577601 1.320789 +F 0.529972 -0.506047 -1.159268 +F -0.181222 -1.860002 0.358237 +C -2.703766 0.148832 -0.561085 +C -3.105081 1.166515 0.159447 +C -0.193595 -0.596698 -0.049835 +H -1.408953 -0.249174 -0.309335 +H -3.219629 -0.427255 -1.317412 +H -4.106478 1.575811 0.055336 +H -2.455292 1.640222 0.887147 +""", +) + +entry( + index = 3391, + label = "C2H2F3-5 + H2O2 <=> C2H3F3-5 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000180998,'cm^3/(mol*s)'), n=4.36959, Ea=(2.75471,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.38312, dn = +|- 0.0426124, dEa = +|- 0.231895 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]C(F)F + OO <=> FCC(F)F + [O]O +barrier = 24.300280 kJ/mol + +Atom XYZ coordinates (angstrom) +F -2.207186 -0.501795 -0.428337 +F -1.409016 1.415388 0.259146 +F 0.260701 -1.661336 0.245985 +O 1.946668 0.794484 0.39106 +O 2.106588 0.364051 -0.913999 +C -1.067527 0.217336 -0.263933 +C -0.164892 -0.474852 0.717116 +H -0.600875 0.360252 -1.238444 +H -0.525883 -0.536286 1.741562 +H 0.949234 0.310579 0.716071 +H 2.637006 -0.439456 -0.824601 +""", +) + +entry( + index = 3392, + label = "C2H3 + C2HBrF4-2 <=> C2H4 + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00214662,'cm^3/(mol*s)'), n=4.6113, Ea=(9.91419,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.63546, dn = +|- 0.0646291, dEa = +|- 0.351709 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + FC(F)C(F)(F)Br <=> CDC + F[C](F)C(F)(F)Br +barrier = 27.110565 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.00888 -0.153612 -0.44312 +F 0.742539 1.457115 -0.518266 +F 0.243433 0.908143 1.532287 +F -0.12367 -1.684978 0.726054 +F 0.355339 -1.118584 -1.305788 +C 0.69279 0.457494 0.362832 +C -0.16424 -0.684825 -0.156175 +C 3.848312 0.011555 -0.625915 +C 3.250768 -0.288828 0.500136 +H 1.903955 0.017237 0.518291 +H 4.907732 -0.17742 -0.774753 +H 3.310076 0.460601 -1.453484 +H 3.628128 -0.734263 1.410479 +""", +) + +entry( + index = 3393, + label = "C2ClF4 + C3H8 <=> C2HClF4 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(7.58888e-05,'cm^3/(mol*s)'), n=4.89862, Ea=(15.0701,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.84642, dn = +|- 0.0805685, dEa = +|- 0.438451 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Cl + CCC <=> FC(F)C(F)(F)Cl + C[CH]C +barrier = 32.324947 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -0.848239 1.129043 1.3001 +F -0.565813 -1.400321 1.289023 +F -2.28899 -0.664512 0.216709 +F -0.534325 0.5244 -1.626211 +F -0.268126 -1.624958 -1.392798 +C -1.000212 -0.429281 0.481235 +C -0.1576 -0.439937 -0.784817 +C 2.618346 1.484527 -0.447722 +C 2.663077 -0.456999 1.212861 +C 2.443356 0.007022 -0.204953 +H 1.197334 -0.234608 -0.459559 +H 3.657208 1.778644 -0.272092 +H 2.361364 1.761064 -1.469457 +H 1.993736 2.065152 0.232783 +H 2.037664 0.10599 1.907723 +H 2.439834 -1.516328 1.332788 +H 3.704765 -0.298328 1.50645 +H 2.939646 -0.617464 -0.947122 +""", +) + +entry( + index = 3394, + label = "H + C2HClF4-2 <=> H2 + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.45408,'cm^3/(mol*s)'), n=3.92342, Ea=(24.2602,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.85465, dn = +|- 0.137811, dEa = +|- 0.749962 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + FC(F)C(F)(F)Cl <=> [H][H] + F[C](F)C(F)(F)Cl +barrier = 49.608463 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.478339 0.864058 -0.002965 +F -1.396512 0.764785 1.087487 +F -1.398044 0.759958 -1.08884 +F 0.485337 -1.217372 -1.078954 +F 0.486877 -1.212534 1.083743 +C -1.127492 0.055273 0.000702 +C 0.306752 -0.455785 0.000824 +H -1.926394 -1.013614 0.003652 +H -2.551383 -1.727701 0.005801 +""", +) + +entry( + index = 3395, + label = "CH2Br-2 + CH2O <=> CH3Br-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00021424,'cm^3/(mol*s)'), n=4.78244, Ea=(11.2219,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.88805, dn = +|- 0.083498, dEa = +|- 0.454393 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]Br + CDO <=> CBr + [CH]DO +barrier = 35.047115 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.382092 -0.019348 -0.022052 +O -3.345883 -0.171985 -0.174401 +C -0.074161 1.197253 0.059097 +C -2.209865 -0.498495 -0.174741 +H -0.094781 1.857514 -0.797967 +H -0.147709 1.672338 1.028536 +H -1.256315 0.345003 -0.061561 +H -1.868472 -1.551651 -0.271789 +""", +) + +entry( + index = 3396, + label = "CH3O-3 + C2H4Cl2 <=> CH4O-3 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.00524535,'cm^3/(mol*s)'), n=4.34499, Ea=(9.84972,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.51192, dn = +|- 0.0543098, dEa = +|- 0.295552 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[O] + ClCCCl <=> CO + Cl[CH]CCl +barrier = 27.913781 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 0.26001 0.596676 1.494989 +Cl -2.347919 0.344415 -0.734289 +O 2.128655 -1.591647 -0.348814 +C -0.096552 -0.710011 0.383569 +C -0.673848 -0.267089 -0.923682 +C 3.031343 -0.62786 0.096003 +H 0.983992 -1.230569 0.082177 +H -0.66373 -1.483446 0.892475 +H -0.716316 -1.111405 -1.606579 +H -0.084398 0.532368 -1.362715 +H 3.089924 -0.578265 1.186454 +H 4.010654 -0.942331 -0.283364 +H 2.819455 0.365719 -0.310937 +""", +) + +entry( + index = 3397, + label = "CH2Cl-2 + C2H6O2-2 <=> CH3Cl-2 + C2H5O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00132148,'cm^3/(mol*s)'), n=3.9594, Ea=(-0.343464,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15253, dn = +|- 0.0186503, dEa = +|- 0.101494 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCOO + [CH2]Cl <=> CCO[O] + CCl +barrier = 19.452495 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.584392 -1.018062 -0.106182 +O -0.97932 0.691837 -0.622532 +O -0.245859 1.767911 -0.183425 +C -1.67874 0.127329 0.482762 +C -2.434336 -1.069732 -0.043601 +C 1.909442 0.59593 0.420187 +H -0.949639 -0.161806 1.244794 +H -2.342405 0.88612 0.900806 +H -3.130693 -0.770249 -0.825009 +H -2.997587 -1.534031 0.76435 +H -1.742537 -1.803671 -0.454011 +H 0.758418 1.306864 0.109493 +H 2.680984 1.075667 -0.168779 +H 2.010012 0.670507 1.495664 +""", +) + +entry( + index = 3398, + label = "C2HO-2 + CHCl3-2 <=> C2H2O-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0125564,'cm^3/(mol*s)'), n=4.51739, Ea=(9.40405,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.54352, dn = +|- 0.0570279, dEa = +|- 0.310344 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCDO + ClC(Cl)Cl <=> CDCDO + Cl[C](Cl)Cl +barrier = 25.976393 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 0.011433 1.169687 1.189937 +Cl 1.375693 -1.373907 0.802095 +Cl 1.687501 0.756756 -1.152861 +O -3.383654 0.307731 -0.089285 +C 0.653382 0.022397 0.043546 +C -1.522467 -0.914782 -1.112766 +C -2.526671 -0.325491 -0.551876 +H -0.342916 -0.382683 -0.580745 +H -1.343389 -1.919466 -1.442336 +""", +) + +entry( + index = 3399, + label = "CHF2-2 + CHCl3-2 <=> CH2F2-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.32774e-05,'cm^3/(mol*s)'), n=5.16588, Ea=(16.2547,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.3066, dn = +|- 0.109804, dEa = +|- 0.597551 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClC(Cl)Cl + F[CH]F <=> Cl[C](Cl)Cl + FCF +barrier = 38.059673 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.135704 -0.670711 1.663531 +Cl -1.343793 -1.027586 -1.219527 +Cl -1.05488 1.645102 -0.099811 +F 2.222881 0.454133 -1.272647 +F 2.366314 0.698033 0.88959 +C 1.963273 -0.106815 -0.092535 +C -0.706404 -0.053912 0.08512 +H 0.594982 -0.161768 0.005361 +H 2.39606 -1.103577 -0.008816 +""", +) + +entry( + index = 3400, + label = "C2ClF4 + BrH <=> C2HClF4 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1629.81,'cm^3/(mol*s)'), n=2.66452, Ea=(-0.86615,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08369, dn = +|- 0.0105588, dEa = +|- 0.0574605 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Br + F[C](F)C(F)(F)Cl <=> [Br] + FC(F)C(F)(F)Cl +barrier = 4.931924 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.410777 -0.853552 0.005144 +Cl 3.021123 0.139242 0.000616 +F 0.379963 1.384801 -1.086919 +F 0.377764 1.386312 1.08311 +F 1.168952 -1.22981 1.083383 +F 1.17015 -1.232102 -1.08133 +C 0.360696 0.655197 -0.001399 +C 1.365983 -0.486471 0.000364 +H -1.090044 -0.145645 -0.001965 +""", +) + +entry( + index = 3401, + label = "C2H4Cl-4 + C2H4O <=> C2H5Cl-4 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00010686,'cm^3/(mol*s)'), n=4.85315, Ea=(12.9131,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97081, dn = +|- 0.0891341, dEa = +|- 0.485064 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + C[CH]Cl <=> C[C]DO + CCCl +barrier = 34.078962 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.703535 -0.931422 -0.293296 +O -2.354081 1.050935 -0.054549 +C 1.231503 1.768066 -0.188903 +C 0.998451 0.468572 0.513328 +C -2.082333 -1.344998 -0.055786 +C -1.672281 0.090546 0.098725 +H 0.850802 1.727235 -1.209508 +H 0.70943 2.565326 0.341006 +H 2.294379 2.016984 -0.232362 +H -0.416593 0.242722 0.398906 +H 1.221228 0.430463 1.573784 +H -1.465999 -1.796227 -0.834222 +H -3.138801 -1.420712 -0.304706 +H -1.862592 -1.875878 0.870842 +""", +) + +entry( + index = 3402, + label = "HO + CHClO <=> H2O + CClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(11337,'cm^3/(mol*s)'), n=2.83608, Ea=(-3.6811,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04734, dn = +|- 0.00607676, dEa = +|- 0.0330695 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + ODCCl <=> O + OD[C]Cl +barrier = 1.991539 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.483983 -0.385421 0.226847 +O -0.122271 1.666657 0.058633 +O -2.186517 -0.96793 0.025418 +C -0.032583 0.500087 0.104466 +H -0.905528 -0.252433 0.077835 +H -2.804575 -0.220044 -0.037764 +""", +) + +entry( + index = 3403, + label = "C2BrF4 + C3H8 <=> C2HBrF4 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9.28371e-05,'cm^3/(mol*s)'), n=4.95414, Ea=(18.2351,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.93149, dn = +|- 0.0864862, dEa = +|- 0.470655 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Br + CCC <=> FC(F)C(F)(F)Br + C[CH]C +barrier = 35.648481 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -1.442688 -1.145743 -0.482224 +F -0.453466 0.038073 1.724482 +F -1.821575 1.286061 0.613716 +F 0.862733 2.034984 0.506008 +F 0.061903 1.44295 -1.431353 +C 2.404685 -0.762023 -0.354646 +C 3.609638 0.127235 -0.527682 +C 2.336555 -1.533902 0.93877 +C -0.822127 0.407235 0.495496 +C 0.379839 1.012922 -0.210173 +H 1.396198 0.043444 -0.317132 +H 2.174411 -1.363458 -1.233398 +H 3.552125 0.713668 -1.443974 +H 4.523444 -0.472222 -0.571646 +H 3.70862 0.81391 0.314352 +H 3.163534 -2.24689 1.001743 +H 2.41547 -0.862757 1.795672 +H 1.40498 -2.092396 1.027322 +""", +) + +entry( + index = 3404, + label = "C6H5-2 + C2H4Cl2-2 <=> C6H6-2 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00369907,'cm^3/(mol*s)'), n=4.5789, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.56622, dn = +|- 0.0589455, dEa = +|- 0.320779 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [C]1DCCDCCDC1 + CC(Cl)Cl <=> C1DCCDCCDC1 + [CH2]C(Cl)Cl +barrier = 26.570763 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 3.674007 -1.017047 0.18116 +Cl 1.994764 1.310934 -0.384647 +C 1.127368 -0.778725 1.089964 +C 1.991036 -0.446865 -0.078073 +C -3.922974 0.321828 -0.497485 +C -3.552251 -0.959397 -0.110623 +C -3.002539 1.361789 -0.464382 +C -2.249863 -1.208191 0.314277 +C -1.696553 1.127582 -0.042172 +C -1.361952 -0.15476 0.335671 +H -0.063582 -0.430638 0.763121 +H 1.067238 -1.849328 1.268691 +H 1.377626 -0.216476 1.984539 +H 1.657198 -0.916617 -0.995724 +H -4.273719 -1.76522 -0.138247 +H -4.935294 0.511337 -0.827136 +H -3.298572 2.357219 -0.767985 +H -1.949399 -2.202477 0.619704 +H -0.968338 1.927036 -0.015651 +""", +) + +entry( + index = 3405, + label = "BrO + CH2O <=> BrHO + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(126.154,'cm^3/(mol*s)'), n=3.23701, Ea=(-3.70566,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.07082, dn = +|- 0.00898983, dEa = +|- 0.0489223 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]Br + CDO <=> OBr + [CH]DO +barrier = 4.195779 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.012363 -0.280996 0.160877 +O 0.166052 1.261043 0.11433 +O -2.195335 -0.842239 -0.040574 +C -2.204735 0.337583 -0.036162 +H -1.146389 0.941943 0.032012 +H -3.128852 0.945946 -0.090741 +""", +) + +entry( + index = 3406, + label = "C2ClF4 + C2H6O <=> C2HClF4 + C2H5O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000532456,'cm^3/(mol*s)'), n=4.5144, Ea=(5.9574,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47108, dn = +|- 0.0507125, dEa = +|- 0.275976 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCO + F[C](F)C(F)(F)Cl <=> C[CH]O + FC(F)C(F)(F)Cl +barrier = 20.942530 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.437041 -0.412347 -0.501967 +F 0.479602 1.997273 -0.124321 +F 0.475876 0.644987 1.586354 +F 0.152025 -1.47606 -0.139394 +F 0.2783 -0.111606 -1.814188 +O -2.601958 -0.730293 1.333622 +C 0.10756 0.796039 0.316149 +C 0.673208 -0.308226 -0.553227 +C -2.942169 -0.186742 -1.025981 +C -2.554967 0.250598 0.361233 +H -1.330066 0.639554 0.278286 +H -2.316973 -1.018063 -1.357904 +H -3.98421 -0.511495 -1.044064 +H -2.817635 0.631275 -1.734292 +H -3.082027 1.127901 0.729576 +H -2.207135 -1.539952 0.993568 +""", +) + +entry( + index = 3407, + label = "HO + C2HBrF4-2 <=> H2O + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(155.485,'cm^3/(mol*s)'), n=3.38049, Ea=(1.94052,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13802, dn = +|- 0.0169857, dEa = +|- 0.0924358 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + FC(F)C(F)(F)Br <=> O + F[C](F)C(F)(F)Br +barrier = 11.899529 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.731636 0.115589 0.140061 +F -0.903341 -1.452198 0.831736 +F -0.805081 -1.174709 -1.32522 +F -0.308599 1.478885 -0.9671 +F -0.490421 1.236396 1.17356 +O -3.344575 0.408511 0.074618 +C -1.04248 -0.580338 -0.162515 +C -0.125447 0.628316 0.038592 +H -2.16809 -0.16376 -0.156898 +H -3.155017 0.860419 0.914215 +""", +) + +entry( + index = 3408, + label = "C2H4Cl-4 + CH4O2-3 <=> C2H5Cl-4 + CH3O2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000183916,'cm^3/(mol*s)'), n=4.15466, Ea=(-0.172393,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.2228, dn = +|- 0.0264261, dEa = +|- 0.14381 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: COO + C[CH]Cl <=> CO[O] + CCCl +barrier = 19.523997 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.392622 -0.224306 -1.27342 +O -2.227067 0.164795 0.42364 +O -1.397789 -0.88665 0.740658 +C 0.475005 1.622606 0.531305 +C 0.834831 0.184549 0.336757 +C -2.539065 0.089886 -0.957245 +H 1.358855 2.257633 0.434726 +H 0.047546 1.758854 1.52427 +H -0.25984 1.942611 -0.206396 +H -0.314259 -0.481874 0.518578 +H 1.488665 -0.262671 1.078545 +H -3.008729 -0.866186 -1.185392 +H -3.230972 0.9083 -1.145663 +H -1.635197 0.212983 -1.55781 +""", +) + +entry( + index = 3409, + label = "O + BrH <=> HO-2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.1265e+08,'cm^3/(mol*s)'), n=1.57315, Ea=(2.64349,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08664, dn = +|- 0.010916, dEa = +|- 0.0594047 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + Br <=> [OH] + [Br] +barrier = 8.448009 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -1.38815 -0.152428 0.0 +O 1.348552 -0.179477 0.0 +H 0.039698 0.331906 0.0 +""", +) + +entry( + index = 3410, + label = "HO + C2HFO <=> H2O + C2FO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(48.5972,'cm^3/(mol*s)'), n=3.46412, Ea=(4.30463,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.24936, dn = +|- 0.0292498, dEa = +|- 0.159176 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCDCF + [OH] <=> O + ODCD[C]F +barrier = 19.213437 kJ/mol + +Atom XYZ coordinates (angstrom) +F 0.493663 1.534143 -0.293754 +O -2.126841 -0.607593 0.074958 +O 1.562449 -1.448307 0.070953 +C 0.122946 0.404888 0.311882 +C -1.089619 -0.116061 0.086064 +H 0.966718 -0.392789 0.59686 +H 1.908488 -1.160841 -0.786397 +""", +) + +entry( + index = 3411, + label = "Cl + C2H5Cl-2 <=> ClH + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(340933,'cm^3/(mol*s)'), n=2.67501, Ea=(-2.60725,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.16248, dn = +|- 0.0197805, dEa = +|- 0.107645 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + CCCl <=> Cl + [CH2]CCl +barrier = 0.478135 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.715076 -0.713043 -0.099259 +Cl 2.173287 -0.483396 -0.10464 +C 0.002375 1.368045 -0.380768 +C -0.99599 0.784105 0.553214 +H 1.10148 0.434478 -0.337741 +H -0.226151 1.340066 -1.440067 +H 0.524983 2.251757 -0.028878 +H -0.551266 0.540529 1.515353 +H -1.819243 1.481861 0.718227 +""", +) + +entry( + index = 3412, + label = "C2H3Cl2-3 + CH4O <=> C2H4Cl2-3 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(9.4987e-06,'cm^3/(mol*s)'), n=4.55596, Ea=(13.1021,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.69426, dn = +|- 0.0692696, dEa = +|- 0.376963 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + [CH2]C(Cl)Cl <=> [CH2]O + CC(Cl)Cl +barrier = 35.012016 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 0.141202 1.461059 -0.18388 +Cl 2.308788 -0.461206 0.221535 +O -2.571337 0.069864 0.990393 +C -0.126678 -1.157092 -0.793988 +C 0.517646 -0.257093 0.187365 +C -2.680637 -0.45867 -0.283832 +H -1.505182 -0.864188 -0.651645 +H 0.10709 -0.935507 -1.829913 +H -0.046726 -2.207414 -0.532715 +H 0.181643 -0.42508 1.203737 +H -3.30011 -1.350213 -0.26139 +H -2.982296 0.255205 -1.050279 +H -2.136847 0.927396 0.937299 +""", +) + +entry( + index = 3413, + label = "CH2Cl-2 + C3H6O-4 <=> CH3Cl-2 + C3H5O-4", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.00191243,'cm^3/(mol*s)'), n=4.50187, Ea=(30.3145,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.76787, dn = +|- 0.0748569, dEa = +|- 0.407368 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(C)DO + [CH2]Cl <=> [CH2]C(C)DO + CCl +barrier = 51.451723 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.378934 2.155314 0.472848 +O -2.201628 -0.307539 1.208157 +C -2.282222 1.251478 -0.594741 +C 1.417124 0.466851 0.895415 +C -1.748932 0.04767 0.141468 +C -0.597603 -0.658285 -0.467711 +H -1.466181 1.942485 -0.812254 +H -2.706564 0.938597 -1.550313 +H -3.042904 1.744364 0.002958 +H 0.41796 -0.125776 0.157831 +H 2.337154 -0.012303 0.586073 +H 1.108526 0.294191 1.918851 +H -0.521223 -1.701677 -0.181251 +H -0.393564 -0.452238 -1.513721 +""", +) + +entry( + index = 3414, + label = "C2H4Cl-4 + C2H4O-2 <=> C2H5Cl-4 + C2H3O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(8.36757e-05,'cm^3/(mol*s)'), n=4.45147, Ea=(28.6456,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.66787, dn = +|- 0.0672075, dEa = +|- 0.365741 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + C[CH]Cl <=> [CH2]CDO + CCCl +barrier = 47.484266 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.526805 0.324724 -1.610237 +O 2.321074 1.017318 -1.055362 +C -0.742313 1.793871 0.561627 +C -1.101136 0.421613 0.086451 +C 1.294228 -0.761486 0.103864 +C 1.848701 -0.098224 -1.078813 +H -1.592798 2.472016 0.467365 +H -0.447073 1.751721 1.610279 +H 0.08812 2.192462 -0.020771 +H 0.064551 -0.283401 0.138929 +H -1.801436 -0.152592 0.683108 +H 1.147138 -1.833702 0.032613 +H 1.69398 -0.405108 1.047877 +H 1.771496 -0.648923 -2.031999 +""", +) + +entry( + index = 3415, + label = "HO + C2H3Cl <=> H2O + C2H2Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.04141,'cm^3/(mol*s)'), n=3.84109, Ea=(3.79449,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.35625, dn = +|- 0.0400345, dEa = +|- 0.217866 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CDCCl <=> O + [CH]DCCl +barrier = 19.984082 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.238627 -0.513725 0.260862 +O 2.090599 -0.918853 -0.087888 +C 0.820614 1.191698 -0.010401 +C -0.471991 1.03659 0.133966 +H 1.561922 0.211845 -0.062987 +H 1.334532 2.139216 -0.092842 +H -1.172396 1.858896 0.186544 +H 1.292641 -1.462418 0.014141 +""", +) + +entry( + index = 3416, + label = "C3HF4-6 + H2-2 <=> C3H2F4-6 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(162.357,'cm^3/(mol*s)'), n=3.17738, Ea=(19.3477,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.22966, dn = +|- 0.027161, dEa = +|- 0.147809 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + F[C]DCC(F)(F)F <=> FCDCC(F)(F)F + [H] +barrier = 37.417193 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.763667 1.327494 -0.036609 +F -1.562307 -0.318546 1.103778 +F -1.546867 -0.41127 -1.042119 +F 2.817826 -0.491377 0.06764 +C -0.84016 -0.003872 0.02037 +C 0.497163 -0.658428 0.058276 +C 1.615631 0.029992 0.036473 +H 0.505276 -1.740734 0.105163 +H 1.708584 1.453121 -0.024418 +H 1.84053 2.310671 -0.060353 +""", +) + +entry( + index = 3417, + label = "CF3-2 + C2HBrF4-2 <=> CHF3-2 + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.48731e-07,'cm^3/(mol*s)'), n=5.87205, Ea=(22.9722,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.44549, dn = +|- 0.162526, dEa = +|- 0.88446 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + FC(F)C(F)(F)Br <=> FC(F)F + F[C](F)C(F)(F)Br +barrier = 49.012539 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.61675 0.256648 -0.114216 +F -0.034754 -1.289881 -1.194857 +F -0.077276 -1.348672 0.981497 +F -0.400694 1.414565 -1.121415 +F -0.442859 1.356002 1.040016 +F 3.478288 -0.896035 -0.02952 +F 2.998974 0.955184 -1.040787 +F 2.94715 0.858254 1.119266 +C 0.134587 -0.586571 -0.083181 +C -0.727167 0.66734 -0.066119 +C 2.732218 0.19174 0.001372 +H 1.398557 -0.17692 -0.0462 +""", +) + +entry( + index = 3418, + label = "C2BrF4 + HO2-4 <=> C2HBrF4 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(19.5336,'cm^3/(mol*s)'), n=3.31378, Ea=(-4.31902,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.07889, dn = +|- 0.00997637, dEa = +|- 0.054291 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Br + [O]O <=> FC(F)C(F)(F)Br + [O][O] +barrier = 0.390027 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.055556 -0.074459 0.225425 +F -0.254737 1.583268 -0.904309 +F 0.134649 1.170789 1.184948 +F 0.488343 -0.967038 -1.551218 +F 0.883916 -1.379369 0.544964 +O 3.134118 0.72697 -0.184094 +O 3.503851 0.272953 0.955137 +C -0.259539 0.638416 0.032928 +C 0.719302 -0.451547 -0.365627 +H 2.182774 0.340128 -0.375476 +""", +) + +entry( + index = 3419, + label = "HO + C2H4Cl2-5 <=> H2O + C2H3Cl2-5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5061.21,'cm^3/(mol*s)'), n=2.9195, Ea=(-4.0032,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04616, dn = +|- 0.00592845, dEa = +|- 0.0322624 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CC(Cl)Cl <=> O + C[C](Cl)Cl +barrier = 1.521182 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 1.489483 -0.433064 -0.803409 +Cl -1.424346 -0.279671 -0.737131 +O -0.132486 2.090314 1.26702 +C 0.035399 -1.223152 1.359098 +C 0.06746 -0.238559 0.222512 +H -0.034077 -2.238396 0.970935 +H -0.8269 -1.014313 1.989355 +H 0.945819 -1.122315 1.946895 +H 0.135337 0.831653 0.645191 +H -0.931679 2.306707 0.75811 +""", +) + +entry( + index = 3420, + label = "CHCl2-2 + C3H6 <=> CH2Cl2-2 + C3H5", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.4076e-05,'cm^3/(mol*s)'), n=4.97969, Ea=(21.8376,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.16769, dn = +|- 0.101644, dEa = +|- 0.553143 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCC + Cl[CH]Cl <=> [CH2]CDC + ClCCl +barrier = 43.707210 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -1.409324 1.50495 -0.035304 +Cl -1.278099 -1.387427 -0.469903 +C -1.186536 -0.071241 0.663136 +C 1.988327 0.554591 0.089696 +C 1.432254 -0.093121 1.273405 +C 2.350991 -0.098438 -1.016734 +H 0.160254 -0.069997 1.10639 +H -1.832899 -0.229238 1.51673 +H 2.052468 1.637115 0.105696 +H 1.568801 0.432079 2.213983 +H 1.625686 -1.160521 1.347866 +H 2.717108 0.425496 -1.888057 +H 2.290505 -1.178526 -1.073428 +""", +) + +entry( + index = 3421, + label = "C2H3 + CH3Br <=> C2H4 + CH2Br", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00135881,'cm^3/(mol*s)'), n=4.62338, Ea=(15.0779,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.699, dn = +|- 0.0696366, dEa = +|- 0.37896 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CBr + [CH]DC <=> [CH2]Br + CDC +barrier = 34.153272 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.082924 -0.266195 0.153651 +C -2.508324 0.383525 0.008461 +C -2.565508 -0.924665 -0.058828 +C -0.007548 1.302273 0.175908 +H -1.234943 0.910795 0.096781 +H -3.314182 1.10638 0.004735 +H -1.66668 -1.531934 -0.044802 +H -3.513187 -1.452034 -0.131106 +H 0.193032 1.911028 -0.697071 +H 0.103833 1.82322 1.118835 +""", +) + +entry( + index = 3422, + label = "HO + C2HF3O <=> H2O + C2F3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8005.8,'cm^3/(mol*s)'), n=2.84104, Ea=(-4.23447,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04634, dn = +|- 0.00595144, dEa = +|- 0.0323875 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCC(F)(F)F + [OH] <=> O + OD[C]C(F)(F)F +barrier = 1.218227 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.73671 -0.927477 -0.954151 +F -1.73532 0.429684 0.395876 +F -0.189132 -0.888966 1.133119 +O 0.315163 2.052944 -0.347498 +O 2.701962 -0.529844 -0.070801 +C -0.581318 -0.133601 0.101187 +C 0.52436 0.902545 -0.195238 +H 1.576572 0.409054 -0.243329 +H 2.355235 -1.119823 0.620166 +""", +) + +entry( + index = 3423, + label = "C2ClF4 + C2H6O-2 <=> C2HClF4 + C2H5O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.44694e-05,'cm^3/(mol*s)'), n=4.97497, Ea=(22.171,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97479, dn = +|- 0.0893991, dEa = +|- 0.486507 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCO + F[C](F)C(F)(F)Cl <=> [CH2]CO + FC(F)C(F)(F)Cl +barrier = 41.539294 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -2.597824 -0.43561 0.508042 +F 0.301788 -1.391801 0.17836 +F -0.475628 -0.646286 -1.718475 +F -1.395582 1.595666 -0.443344 +F -0.60363 0.852368 1.427691 +O 3.333246 -0.855291 0.331581 +C 2.947442 0.468181 0.639631 +C -0.057451 -0.296547 -0.507708 +C -1.11517 0.488384 0.246859 +C 2.216541 1.133418 -0.49378 +H 2.346612 0.503907 1.554473 +H 3.873016 1.011834 0.844972 +H 1.060592 0.48255 -0.597055 +H 1.8946 2.154757 -0.303211 +H 2.675349 0.995908 -1.469228 +H 2.554923 -1.418824 0.337362 +""", +) + +entry( + index = 3424, + label = "C2F5-2 + C3H8-3 <=> C2HF5-2 + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(3.02384e-05,'cm^3/(mol*s)'), n=4.98693, Ea=(18.7588,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97225, dn = +|- 0.08923, dEa = +|- 0.485586 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)F + CCC <=> FC(F)C(F)(F)F + [CH2]CC +barrier = 37.846913 kJ/mol + +Atom XYZ coordinates (angstrom) +F 1.573191 0.041977 -1.576302 +F 0.720532 -1.60597 -0.468015 +F 2.480315 -0.600845 0.273432 +F 0.118439 0.079208 1.597892 +F 0.983497 1.742638 0.482798 +C -2.950892 0.251669 0.108829 +C -1.967731 0.885444 -0.839941 +C -2.778865 -1.259756 0.204851 +C 1.320968 -0.423403 -0.356151 +C 0.407681 0.543902 0.379194 +H -3.966376 0.485109 -0.228218 +H -2.851053 0.704391 1.097707 +H -0.774375 0.689919 -0.314005 +H -1.883647 0.399605 -1.810681 +H -2.012805 1.968453 -0.922685 +H -1.788613 -1.516729 0.581944 +H -3.516182 -1.699934 0.874326 +H -2.892671 -1.724107 -0.775562 +""", +) + +entry( + index = 3425, + label = "CF3-2 + C2HClF4-2 <=> CHF3-2 + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.91022e-07,'cm^3/(mol*s)'), n=5.92986, Ea=(24.0931,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.59062, dn = +|- 0.167946, dEa = +|- 0.913957 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + FC(F)C(F)(F)Cl <=> FC(F)F + F[C](F)C(F)(F)Cl +barrier = 50.634821 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.952376 0.045726 0.049997 +F 0.466339 -1.440214 1.098217 +F 0.471963 -1.382832 -1.078567 +F 0.997304 1.235763 1.164103 +F 0.997849 1.295802 -0.997516 +F -3.038062 -0.782952 0.043964 +F -2.429651 1.003388 1.101412 +F -2.427808 0.973606 -1.061232 +C 0.318302 -0.66916 0.02905 +C 1.258842 0.529674 0.062986 +C -2.229374 0.259697 0.030302 +H -0.923836 -0.185954 0.036495 +""", +) + +entry( + index = 3426, + label = "C2H4Cl-3 + CH4O2-3 <=> C2H5Cl-3 + CH3O2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00391721,'cm^3/(mol*s)'), n=4.05928, Ea=(0.593929,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.17396, dn = +|- 0.0210707, dEa = +|- 0.114666 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: COO + [CH2]CCl <=> CO[O] + CCCl +barrier = 18.534272 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.705845 -0.45097 0.53423 +O -2.122487 -0.364443 0.815192 +O -1.958358 0.966966 0.493734 +C 0.490287 0.961572 -0.097849 +C 0.917347 -0.214304 0.70674 +C -2.498626 -1.062209 -0.357178 +H -0.847028 1.04213 0.169404 +H 0.546137 0.843977 -1.175326 +H 0.842148 1.925213 0.256721 +H 0.459519 -1.139513 0.372188 +H 0.727001 -0.080985 1.766556 +H -1.69431 -1.022688 -1.096804 +H -3.407816 -0.634651 -0.777738 +H -2.669603 -2.090646 -0.045723 +""", +) + +entry( + index = 3427, + label = "C2H5O-7 + C2HClF4-2 <=> C2H6O-7 + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.14746e-08,'cm^3/(mol*s)'), n=5.9937, Ea=(10.7027,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.04066, dn = +|- 0.0937098, dEa = +|- 0.509965 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC[O] + FC(F)C(F)(F)Cl <=> CCO + F[C](F)C(F)(F)Cl +barrier = 35.478233 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl 2.603891 0.673837 -0.355691 +F -0.093709 1.345637 0.901005 +F -0.341751 0.817753 -1.195624 +F 1.43853 -0.904314 1.263838 +F 1.202773 -1.395273 -0.82941 +O -1.944104 -1.236514 0.409765 +C -3.525097 0.556654 -0.0732 +C -2.914506 -0.767938 -0.487632 +C -0.076642 0.350969 0.022484 +C 1.257553 -0.394797 0.047265 +H -4.326133 0.839331 -0.7558 +H -2.774323 1.34772 -0.089422 +H -3.929344 0.486514 0.935255 +H -3.672281 -1.561166 -0.489903 +H -2.510737 -0.725941 -1.504956 +H -0.989781 -0.505243 0.330199 +""", +) + +entry( + index = 3428, + label = "C4H3-3 + CH2Cl2 <=> C4H4-3 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0161221,'cm^3/(mol*s)'), n=4.28364, Ea=(2.95395,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.30697, dn = +|- 0.0351724, dEa = +|- 0.191407 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCC#C + ClCCl <=> C#CCDC + Cl[CH]Cl +barrier = 16.467879 kJ/mol + +Atom XYZ coordinates (angstrom) +Cl -0.700298 -1.813573 -0.275901 +Cl -2.388663 0.224599 0.99568 +C -0.76414 -0.340324 0.662891 +C 1.879871 1.303237 -0.617858 +C 2.4547 0.261036 0.173849 +C 0.57963 1.490024 -0.742097 +C 2.948769 -0.611498 0.831206 +H -0.20764 0.545864 -0.013364 +H -0.201804 -0.451998 1.581728 +H 2.57788 1.958691 -1.135031 +H 0.043538 2.238039 -1.309084 +H 3.386246 -1.389463 1.408844 +""", +) + +entry( + index = 3429, + label = "HO + CHBrF2-2 <=> H2O + CBrF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1011.78,'cm^3/(mol*s)'), n=3.18113, Ea=(1.47469,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06636, dn = +|- 0.00844133, dEa = +|- 0.0459374 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + FC(F)Br <=> O + F[C](F)Br +barrier = 9.454255 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -1.19752 -0.375599 -0.142965 +F 0.822152 0.697547 1.296229 +F 0.792217 1.342728 -0.760963 +O 2.403358 -1.380579 -0.333146 +C 0.587364 0.312009 0.045095 +H 1.32467 -0.563699 -0.233862 +H 2.940401 -1.065237 0.41253 +""", +) + +entry( + index = 3430, + label = "Cl + C2HBrF4-2 <=> ClH + C2BrF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(58243.4,'cm^3/(mol*s)'), n=2.82461, Ea=(5.49137,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.27957, dn = +|- 0.0323888, dEa = +|- 0.176258 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + FC(F)C(F)(F)Br <=> Cl + F[C](F)C(F)(F)Br +barrier = 11.507958 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.081884 0.040481 -0.000292 +Cl 3.312359 -0.541014 0.004185 +F 0.636382 1.348214 1.084595 +F 0.63789 1.345229 -1.084907 +F -0.015567 -1.3074 1.084782 +F -0.01402 -1.310433 -1.078622 +C 0.716808 0.612765 0.000916 +C -0.244679 -0.574498 0.001888 +H 1.960413 0.025412 0.002563 +""", +) + +entry( + index = 3431, + label = "C2BrF4 + CH3F <=> C2HBrF4 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(5.1075e-06,'cm^3/(mol*s)'), n=5.50516, Ea=(28.7521,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.80761, dn = +|- 0.135628, dEa = +|- 0.738084 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[C](F)C(F)(F)Br <=> [CH2]F + FC(F)C(F)(F)Br +barrier = 53.227438 kJ/mol + +Atom XYZ coordinates (angstrom) +Br -2.114153 0.256151 -0.328702 +F 0.193735 -1.331739 1.212859 +F 0.441373 -1.555815 -0.940122 +F 0.0058 1.374754 0.904288 +F 0.261277 1.155419 -1.233531 +F 3.237687 1.250625 0.341091 +C 0.564562 -0.722558 0.090029 +C -0.205696 0.564809 -0.132881 +C 3.186551 -0.099521 0.315405 +H 1.887348 -0.408182 0.203769 +H 3.508614 -0.530058 1.259641 +H 3.659414 -0.501295 -0.576622 +""", +) + +entry( + index = 3432, + label = "C2H3 + C2H3F3-2 <=> C2H4 + C2H2F3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000433541,'cm^3/(mol*s)'), n=4.66102, Ea=(10.7726,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.6862, dn = +|- 0.0686432, dEa = +|- 0.373554 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [CH]DC <=> CDC + F[CH]C(F)F +barrier = 29.220215 kJ/mol +T1 = 0.016389483 + +Atom XYZ coordinates (angstrom) +F 2.380415 0.563285 -0.209219 +F 1.47099 -1.387706 0.175855 +F -0.23131 1.675719 0.127127 +C 1.216442 -0.132813 -0.270465 +C 0.178842 0.477191 0.623518 +C -2.033347 -0.93342 0.208687 +C -2.863006 -0.180449 -0.472903 +H 0.901107 -0.178426 -1.313396 +H 0.490979 0.564247 1.662456 +H -2.126366 -1.963864 0.525616 +H -0.847688 -0.306653 0.553094 +H -3.824588 -0.553714 -0.81431 +H -2.621446 0.848154 -0.718151 +""", +) + +entry( + index = 3433, + label = "CHF2-2 + CH2O <=> CH2F2-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.13664e-05,'cm^3/(mol*s)'), n=5.34976, Ea=(13.4207,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.4558, dn = +|- 0.118039, dEa = +|- 0.642362 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDO + F[CH]F <=> FCF + [CH]DO +barrier = 38.707554 kJ/mol +T1 = 0.021200572 + +Atom XYZ coordinates (angstrom) +F 1.282773 -1.30817 0.064719 +F 1.748037 0.816943 -0.111644 +O -2.474084 0.645008 0.209931 +C 0.959917 -0.08125 0.491457 +C -1.564187 0.386801 -0.499119 +H -0.385659 0.171113 -0.004963 +H -1.645738 0.311719 -1.603864 +H 1.019375 -0.004227 1.576477 +""", +) + +entry( + index = 3434, + label = "F + H2O-2 <=> FH + HO-3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.36508e+08,'cm^3/(mol*s)'), n=1.74742, Ea=(-2.25003,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04919, dn = +|- 0.00630874, dEa = +|- 0.0343319 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: O + [F] <=> F + [OH] +barrier = 4.680088 kJ/mol +T1 = 0.048771759000000005 + +Atom XYZ coordinates (angstrom) +F -1.059202 -0.079831 -0.079278 +O 1.010358 0.105709 -0.07236 +H 0.11322 0.351208 0.36238 +H 1.119449 -0.839126 0.106859 +""", +) + +entry( + index = 3435, + label = "C2HF2-3 + H2-2 <=> C2H2F2-3 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(30596.9,'cm^3/(mol*s)'), n=2.56276, Ea=(16.6942,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08854, dn = +|- 0.0111454, dEa = +|- 0.0606527 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + [CH]DC(F)F <=> CDC(F)F + [H] +barrier = 28.212325 kJ/mol +T1 = 0.018941088999999998 + +Atom XYZ coordinates (angstrom) +F -0.237226 1.224558 -0.022996 +F -1.360894 -0.607545 -0.008964 +C 0.97052 -0.762603 0.006447 +C -0.146128 -0.088503 -0.007714 +H 2.175057 0.115296 0.002428 +H 1.141002 -1.822754 0.018886 +H 2.824955 0.633925 0.011983 +""", +) + +entry( + index = 3436, + label = "CCl3 + C3H6 <=> CHCl3 + C3H5", + degeneracy = 3.0, + kinetics = Arrhenius(A=(4.56908e-05,'cm^3/(mol*s)'), n=5.10036, Ea=(23.4118,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.21444, dn = +|- 0.104447, dEa = +|- 0.568398 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCC + Cl[C](Cl)Cl <=> [CH2]CDC + ClC(Cl)Cl +barrier = 44.015464 kJ/mol +T1 = 0.016466792 + +Atom XYZ coordinates (angstrom) +Cl -0.302603 0.993931 1.497558 +Cl -0.74834 1.097746 -1.374126 +Cl -1.979563 -1.011952 0.212894 +C -0.639966 0.091261 0.04488 +C 2.54974 -0.255213 -0.829887 +C 1.6415 -1.274052 -0.319563 +C 3.33277 0.500513 -0.055292 +H 0.509367 -0.682003 -0.168562 +H 2.540849 -0.079042 -1.899941 +H 1.844021 -1.614365 0.69301 +H 1.385989 -2.079894 -1.001163 +H 3.964307 1.272222 -0.471507 +H 3.360855 0.358594 1.018266 +""", +) + +entry( + index = 3437, + label = "F + ClH-2 <=> FH + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.19129e+09,'cm^3/(mol*s)'), n=1.2595, Ea=(0.0723515,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01896, dn = +|- 0.00246797, dEa = +|- 0.0134306 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [F] + Cl <=> F + [Cl] +barrier = 3.647117 kJ/mol +T1 = 0.03771802 + +Atom XYZ coordinates (angstrom) +Cl 1.145885 -0.246836 0.0 +F -1.205894 -0.26627 -0.0 +H 0.06001 0.513106 -0.0 +""", +) + +entry( + index = 3438, + label = "CH3-2 + C2H4F2-3 <=> CH4-2 + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.00035096,'cm^3/(mol*s)'), n=4.97632, Ea=(28.0107,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.38451, dn = +|- 0.114168, dEa = +|- 0.6213 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + [CH3] <=> C + F[CH]CF +barrier = 53.008928 kJ/mol +T1 = 0.015750603999999998 + +Atom XYZ coordinates (angstrom) +F 0.608257 1.633734 0.144902 +F 0.590633 -1.075173 -0.862085 +C 0.115229 0.538389 0.794216 +C 0.863217 -0.702524 0.44244 +C -2.344211 0.332307 -0.254126 +H -1.112659 0.395861 0.352723 +H 0.055231 0.731797 1.864108 +H 1.942254 -0.548452 0.520259 +H 0.557254 -1.515834 1.102 +H -2.476168 1.334466 -0.645155 +H -3.033069 0.065393 0.539351 +H -2.207924 -0.429846 -1.01204 +""", +) + +entry( + index = 3439, + label = "C2F5-2 + C2H6O <=> C2HF5-2 + C2H5O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8.85099e-05,'cm^3/(mol*s)'), n=4.65307, Ea=(9.19787,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.61554, dn = +|- 0.0630191, dEa = +|- 0.342947 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCO + F[C](F)C(F)(F)F <=> C[CH]O + FC(F)C(F)(F)F +barrier = 25.761630 kJ/mol +T1 = 0.015731762 + +Atom XYZ coordinates (angstrom) +F 0.329872 -1.855892 -0.17951 +F 1.119856 -0.886042 1.609385 +F 2.296838 -0.055537 -0.852926 +F 0.326289 0.589238 -1.454306 +F 1.277267 1.472798 0.27611 +O -2.065939 1.533903 0.276717 +C 0.437774 -0.697447 0.481125 +C 1.112176 0.342224 -0.396126 +C -2.775302 -0.701782 -0.414733 +C -2.127066 0.19224 0.607831 +H -0.923813 -0.232029 0.711589 +H -2.754927 -1.739121 -0.083945 +H -3.813056 -0.404805 -0.577068 +H -2.244911 -0.642013 -1.367677 +H -2.526816 0.103993 1.615596 +H -1.817759 1.627322 -0.648849 +""", +) + +entry( + index = 3440, + label = "C2H5-2 + C2H5Cl <=> C2H6-2 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.81309e-05,'cm^3/(mol*s)'), n=4.72483, Ea=(24.7748,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.98091, dn = +|- 0.0898055, dEa = +|- 0.488718 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH2] + CCCl <=> CC + C[CH]Cl +barrier = 46.357337 kJ/mol +T1 = 0.0142656 + +Atom XYZ coordinates (angstrom) +Cl 1.217223 -0.897785 -0.550743 +C 0.405509 1.656746 -0.007798 +C 0.50062 0.273528 0.563129 +C -2.522335 -0.256139 -0.654678 +C -2.011059 -0.629261 0.71101 +H -0.155303 1.647028 -0.942011 +H 1.393236 2.075866 -0.208729 +H -0.108306 2.308586 0.700371 +H -0.739044 -0.170032 0.752238 +H 0.994338 0.191964 1.525844 +H -1.846171 -0.612073 -1.433676 +H -3.504498 -0.694966 -0.849536 +H -2.622537 0.824192 -0.760494 +H -1.861792 -1.693202 0.874681 +H -2.505436 -0.146707 1.549756 +""", +) + +entry( + index = 3441, + label = "HO + CHClF2-2 <=> H2O + CClF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(502.407,'cm^3/(mol*s)'), n=3.25283, Ea=(1.13512,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08685, dn = +|- 0.0109416, dEa = +|- 0.0595439 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + FC(F)Cl <=> O + F[C](F)Cl +barrier = 9.897813 kJ/mol +T1 = 0.022341662999999998 + +Atom XYZ coordinates (angstrom) +Cl -1.460687 -0.542725 -0.355541 +F 0.205626 0.230222 1.413842 +F 0.110613 1.464068 -0.354166 +O 2.083 -1.043052 -0.657441 +C 0.050381 0.217668 0.091936 +H 0.930574 -0.414813 -0.38976 +H 2.525941 -0.9721 0.204298 +""", +) + +entry( + index = 3442, + label = "C2H3F2-6 + H2O2 <=> C2H4F2-6 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00016016,'cm^3/(mol*s)'), n=4.25875, Ea=(3.34015,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.34231, dn = +|- 0.038677, dEa = +|- 0.210479 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]C(F)F + OO <=> CC(F)F + [O]O +barrier = 24.547014 kJ/mol +T1 = 0.019308315 + +Atom XYZ coordinates (angstrom) +F -2.169743 0.025356 0.314343 +F -0.518363 1.134237 -0.590887 +O 2.135755 -0.530397 -0.495392 +O 2.135251 0.529525 0.39868 +C -0.810775 0.074421 0.218627 +C -0.291458 -1.180376 -0.392639 +H -0.40824 0.287688 1.207327 +H -0.343099 -2.058928 0.239618 +H -0.574764 -1.32458 -1.429995 +H 1.077737 -0.920491 -0.47478 +H 1.92385 1.289969 -0.160911 +""", +) + +entry( + index = 3443, + label = "HO + ClH-2 <=> H2O + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(327231,'cm^3/(mol*s)'), n=2.37899, Ea=(-0.869779,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02379, dn = +|- 0.00308867, dEa = +|- 0.0168084 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + [OH] <=> [Cl] + O +barrier = 10.123873 kJ/mol +T1 = 0.04924264 + +Atom XYZ coordinates (angstrom) +Cl -0.91511 0.089366 0.117885 +O 1.696943 -0.080428 0.236955 +H 0.390108 -0.325204 -0.058688 +H 1.841456 0.835553 -0.058868 +""", +) + +entry( + index = 3444, + label = "C2H3 + C2H5F-2 <=> C2H4 + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000695561,'cm^3/(mol*s)'), n=4.68311, Ea=(9.84209,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.69151, dn = +|- 0.0690559, dEa = +|- 0.3758 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [CH]DC <=> CDC + C[CH]F +barrier = 28.950982 kJ/mol +T1 = 0.016913615 + +Atom XYZ coordinates (angstrom) +F 0.777074 1.310111 0.099946 +C 1.757522 -0.814807 0.482543 +C 0.986874 0.067926 -0.447795 +C -2.239259 0.147082 0.233829 +C -1.552631 -0.734964 -0.453987 +H 2.74197 -0.394311 0.694954 +H 1.889014 -1.79821 0.03215 +H 1.217104 -0.931662 1.421538 +H -0.183321 -0.418617 -0.584839 +H 1.402807 0.187301 -1.447296 +H -1.765193 1.033782 0.641117 +H -3.303571 0.029387 0.420114 +H -1.893728 -1.65373 -0.914889 +""", +) + +entry( + index = 3445, + label = "CHF2-2 + CH4O <=> CH2F2-2 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(5.77628e-07,'cm^3/(mol*s)'), n=5.51109, Ea=(23.2113,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.95723, dn = +|- 0.142449, dEa = +|- 0.775204 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + F[CH]F <=> FCF + [CH2]O +barrier = 50.078244 kJ/mol +T1 = 0.017557029 + +Atom XYZ coordinates (angstrom) +F 0.876631 -1.384401 0.250852 +F 2.020771 0.399545 -0.281154 +O -2.076354 -0.489609 0.220715 +C -1.366055 0.583457 -0.28902 +C 1.07823 -0.082612 0.541558 +H -0.146251 0.495925 0.177733 +H -1.775989 1.512265 0.095046 +H -1.248937 0.583278 -1.373408 +H 1.363031 0.040783 1.58548 +H -1.723084 -1.307681 -0.139864 +""", +) + +entry( + index = 3446, + label = "C2H4Cl-4 + H2O2 <=> C2H5Cl-4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.48911e-05,'cm^3/(mol*s)'), n=4.50939, Ea=(4.35418,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.53545, dn = +|- 0.0563392, dEa = +|- 0.306596 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + C[CH]Cl <=> [O]O + CCCl +barrier = 28.528292 kJ/mol +T1 = 0.02014735 + +Atom XYZ coordinates (angstrom) +Cl 1.102537 -0.754067 -0.621473 +O -2.142533 -0.522938 -0.900339 +O -1.981999 -0.693054 0.460526 +C 0.084791 1.672397 0.120264 +C 0.317524 0.265104 0.56794 +H -0.52548 1.681975 -0.782513 +H 1.03058 2.174832 -0.094036 +H -0.435335 2.222591 0.903599 +H -0.896676 -0.273583 0.658232 +H 0.765405 0.110142 1.543956 +H -1.780177 -1.337426 -1.275863 +""", +) + +entry( + index = 3447, + label = "C2HO-2 + C2H4Cl2 <=> C2H2O-2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.0476909,'cm^3/(mol*s)'), n=4.28103, Ea=(11.1314,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.37529, dn = +|- 0.0418661, dEa = +|- 0.227834 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCDO + ClCCCl <=> CDCDO + Cl[CH]CCl +barrier = 25.080253 kJ/mol +T1 = 0.017343786 + +Atom XYZ coordinates (angstrom) +Cl 0.724364 1.911323 -0.300613 +Cl -2.520218 -0.897919 -0.056483 +O 3.195984 -0.76118 0.705102 +C -0.382312 0.605188 -0.65852 +C -1.500443 0.514894 0.336958 +C 1.023039 -1.541442 -0.111975 +C 2.166856 -1.170607 0.344566 +H 0.30822 -0.439044 -0.524691 +H -0.68464 0.619257 -1.700656 +H -2.134494 1.397925 0.302493 +H -1.11141 0.37788 1.342014 +H 0.419659 -2.424854 -0.085102 +""", +) + +entry( + index = 3448, + label = "C2H3 + C2H4F2-3 <=> C2H4 + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.00124041,'cm^3/(mol*s)'), n=4.65936, Ea=(9.99105,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.67817, dn = +|- 0.0680162, dEa = +|- 0.370142 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + [CH]DC <=> CDC + F[CH]CF +barrier = 28.493706 kJ/mol +T1 = 0.01673583 + +Atom XYZ coordinates (angstrom) +F 0.247853 -1.418844 -0.201538 +F 2.634709 0.260903 -0.124772 +C 0.445535 -0.316449 0.581037 +C 1.317943 0.690885 -0.085445 +C -2.628985 0.059256 -0.515584 +C -2.025139 0.675127 0.472648 +H -0.708948 0.234574 0.685907 +H 0.765787 -0.620962 1.575751 +H 1.284941 1.629589 0.469827 +H 0.985989 0.85658 -1.110915 +H -3.650774 0.296003 -0.7996 +H -2.129436 -0.718358 -1.083587 +H -2.389658 1.457938 1.125477 +""", +) + +entry( + index = 3449, + label = "HO + C2H4Cl2-2 <=> H2O + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(456.058,'cm^3/(mol*s)'), n=3.11779, Ea=(-4.27792,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04221, dn = +|- 0.00543185, dEa = +|- 0.0295599 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CC(Cl)Cl <=> O + [CH2]C(Cl)Cl +barrier = 4.233371 kJ/mol +T1 = 0.019550792 + +Atom XYZ coordinates (angstrom) +Cl 0.193922 1.447057 -0.286777 +Cl -1.928989 -0.508598 0.182615 +O 2.939075 -0.400146 0.396219 +C -0.19709 -0.147876 0.416149 +C 0.641123 -1.221357 -0.20652 +H -0.038093 -0.05863 1.483785 +H 0.459692 -2.191522 0.250627 +H 0.548092 -1.250738 -1.288658 +H 2.744901 0.497962 0.079675 +H 1.781947 -0.971371 0.041903 +""", +) + +entry( + index = 3450, + label = "C2H3Cl2-4 + C2H6O2-2 <=> C2H4Cl2-4 + C2H5O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000175537,'cm^3/(mol*s)'), n=4.32289, Ea=(3.03755,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.33942, dn = +|- 0.0383938, dEa = +|- 0.208937 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCOO + Cl[CH]CCl <=> CCO[O] + ClCCCl +barrier = 22.761223 kJ/mol +T1 = 0.019752596 + +Atom XYZ coordinates (angstrom) +Cl -0.257078 1.349129 -0.120761 +Cl -3.468848 0.051666 0.048384 +O 1.908824 -0.92622 -0.486272 +O 1.129117 -1.655884 0.372236 +C 2.874846 -0.194317 0.268171 +C 3.665848 0.628194 -0.720544 +C -0.820802 -0.086724 0.677616 +C -1.899382 -0.82633 -0.034267 +H 2.346842 0.43621 0.987237 +H 3.499998 -0.904624 0.811412 +H 3.011461 1.321597 -1.246444 +H 4.42971 1.198996 -0.195046 +H 4.154248 -0.014739 -1.450805 +H 0.238304 -0.949413 0.602136 +H -0.972075 0.08595 1.737719 +H -1.659813 -0.956956 -1.084973 +H -2.058361 -1.793941 0.433968 +""", +) + +entry( + index = 3451, + label = "HO + CH3F <=> H2O + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1339.5,'cm^3/(mol*s)'), n=3.1719, Ea=(3.53251,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06757, dn = +|- 0.00859005, dEa = +|- 0.0467467 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + [OH] <=> O + [CH2]F +barrier = 13.552804 kJ/mol +T1 = 0.024039924 + +Atom XYZ coordinates (angstrom) +F -1.255693 -0.567278 -0.107185 +O 1.726295 -0.014377 0.233778 +C -0.68588 0.671909 -0.077585 +H 0.474577 0.531813 0.069758 +H -1.053523 1.235028 0.777347 +H -0.831373 1.176069 -1.030344 +H 1.447922 -0.944588 0.223487 +""", +) + +entry( + index = 3452, + label = "F + H2-2 <=> FH + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8.02387e+10,'cm^3/(mol*s)'), n=1.18301, Ea=(0.0691356,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.00957, dn = +|- 0.00125137, dEa = +|- 0.0068099 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + [F] <=> F + [H] +barrier = 3.746718 kJ/mol +T1 = 0.029598718 + +Atom XYZ coordinates (angstrom) +F 1.16914 -0.098429 0.0 +H -0.899534 -0.176722 -0.0 +H -0.269606 0.27505 -0.0 +""", +) + +entry( + index = 3453, + label = "C2H3 + C2H3F3 <=> C2H4 + C2H2F3", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00407211,'cm^3/(mol*s)'), n=4.61293, Ea=(19.8457,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.70458, dn = +|- 0.0700676, dEa = +|- 0.381305 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)(F)F + [CH]DC <=> CDC + [CH2]C(F)(F)F +barrier = 37.534566 kJ/mol +T1 = 0.015545248000000001 + +Atom XYZ coordinates (angstrom) +F -1.872632 -0.373662 -1.066619 +F -0.230064 -1.475709 -0.213545 +F 0.026772 -0.423675 -2.0812 +C -0.098674 0.862212 -0.126057 +C -0.541982 -0.346759 -0.871075 +C 2.87006 -0.644922 0.65534 +C 2.531243 0.500106 0.113212 +H 1.215692 0.737199 -0.014372 +H -0.483666 0.889128 0.886926 +H -0.262796 1.775647 -0.686345 +H 3.911726 -0.91883 0.794162 +H 2.126088 -1.363449 0.978583 +H 3.162008 1.296652 -0.259165 +""", +) + +entry( + index = 3454, + label = "H + C2H5Cl <=> H2 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6949.16,'cm^3/(mol*s)'), n=3.04431, Ea=(14.4548,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.65199, dn = +|- 0.0659502, dEa = +|- 0.358898 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + CCCl <=> [H][H] + C[CH]Cl +barrier = 31.478753 kJ/mol +T1 = 0.01600806 + +Atom XYZ coordinates (angstrom) +Cl -1.144159 -0.247566 -0.040048 +C 1.582043 -0.478061 -0.089528 +C 0.44652 0.415168 0.308671 +H 1.522877 -0.723299 -1.148727 +H 1.561937 -1.408092 0.480449 +H 2.529043 0.02695 0.102019 +H 0.542596 1.496241 -0.424188 +H 0.467057 0.790573 1.326215 +H 0.626448 2.259785 -1.001702 +""", +) + +entry( + index = 3455, + label = "HO + CHCl2F <=> H2O + CCl2F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1558.17,'cm^3/(mol*s)'), n=2.99725, Ea=(-4.06675,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03792, dn = +|- 0.00489034, dEa = +|- 0.0266131 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + FC(Cl)Cl <=> O + F[C](Cl)Cl +barrier = 1.638228 kJ/mol +T1 = 0.021993772 + +Atom XYZ coordinates (angstrom) +Cl -0.551628 1.556059 0.005426 +Cl 1.630389 -0.334274 -0.439215 +F -0.110742 -0.520759 1.403811 +O -1.612726 -1.695892 -0.968825 +C -0.003627 -0.099093 0.136851 +H -0.706417 -0.754076 -0.527372 +H -1.827356 -2.141362 -0.132301 +""", +) + +entry( + index = 3456, + label = "C2H3Cl2-3 + C3H6O-4 <=> C2H4Cl2-3 + C3H5O-4", + degeneracy = 6.0, + kinetics = Arrhenius(A=(1.65295e-05,'cm^3/(mol*s)'), n=4.34184, Ea=(17.6838,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.53565, dn = +|- 0.0563562, dEa = +|- 0.306689 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(C)DO + [CH2]C(Cl)Cl <=> [CH2]C(C)DO + CC(Cl)Cl +barrier = 36.531400 kJ/mol +T1 = 0.015494612 + +Atom XYZ coordinates (angstrom) +Cl -4.233052 0.577319 0.65031 +Cl -2.311024 -1.546616 1.26153 +O 0.196244 0.71377 2.489209 +C -1.737763 0.513355 -0.375897 +C -2.490374 0.183829 0.860815 +C 1.078922 -1.49526 2.324207 +C 0.66417 -0.153489 1.780752 +C 0.814769 0.075379 0.321921 +H -0.415609 0.200143 -0.076983 +H -1.692727 1.575558 -0.592363 +H -1.968583 -0.114933 -1.229842 +H -2.1497 0.739465 1.72629 +H 0.646024 -2.29256 1.719781 +H 2.165 -1.58771 2.259846 +H 0.762161 -1.59103 3.358499 +H 1.198366 1.061585 0.080108 +H 1.248877 -0.729425 -0.261784 +""", +) + +entry( + index = 3457, + label = "HO + CHFO <=> H2O + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(116.569,'cm^3/(mol*s)'), n=3.32535, Ea=(3.3921,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13659, dn = +|- 0.0168206, dEa = +|- 0.0915369 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCF + [OH] <=> O + OD[C]F +barrier = 14.096212 kJ/mol +T1 = 0.028242741000000002 + +Atom XYZ coordinates (angstrom) +F -0.624262 -1.185191 -0.031048 +O -1.434975 0.862044 0.166833 +O 1.977842 0.386793 0.10157 +C -0.523296 0.137 0.092993 +H 0.631855 0.42862 0.113564 +H 2.132099 -0.568433 0.011487 +""", +) + +entry( + index = 3458, + label = "H + CHClO <=> H2 + CClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4369.24,'cm^3/(mol*s)'), n=3.03133, Ea=(4.90657,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.52821, dn = +|- 0.055718, dEa = +|- 0.303215 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + ODCCl <=> [H][H] + OD[C]Cl +barrier = 23.569049 kJ/mol +T1 = 0.023959234 + +Atom XYZ coordinates (angstrom) +Cl -1.071491 -0.170514 -0.083643 +O 1.526709 -0.553368 -0.095681 +C 0.655619 0.217592 -0.029467 +H 0.795061 1.467199 0.094196 +H 0.909401 2.491074 0.196626 +""", +) + +entry( + index = 3459, + label = "C2H3Cl2-4 + HO2-4 <=> C2H4Cl2-4 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.07576,'cm^3/(mol*s)'), n=3.2809, Ea=(-5.6594,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13142, dn = +|- 0.0162217, dEa = +|- 0.0882777 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]O + Cl[CH]CCl <=> [O][O] + ClCCCl +barrier = 0.898672 kJ/mol +T1 = 0.025516287999999998 + +Atom XYZ coordinates (angstrom) +Cl 0.252948 1.665492 -0.331192 +Cl -2.396722 -0.590045 -0.147353 +O 2.435021 -0.694884 0.600548 +O 2.515664 -0.875856 -0.660087 +C 0.026839 0.301612 0.683919 +C -0.629185 -0.880308 0.076174 +H 1.471052 -0.242224 0.785621 +H -0.212514 0.565018 1.707589 +H -0.538769 -1.743823 0.72955 +H -0.215128 -1.102408 -0.903088 +""", +) + +entry( + index = 3460, + label = "C2H3 + C2H5F <=> C2H4 + C2H4F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00398332,'cm^3/(mol*s)'), n=4.63777, Ea=(18.573,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.71738, dn = +|- 0.0710501, dEa = +|- 0.386652 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [CH]DC <=> CDC + [CH2]CF +barrier = 36.514769 kJ/mol +T1 = 0.015995557 + +Atom XYZ coordinates (angstrom) +F -1.776067 -0.925085 0.020328 +C -0.440728 0.891964 0.702028 +C -1.501637 0.412275 -0.236263 +C 2.720644 0.037807 -0.344637 +C 1.659477 -0.620831 0.058696 +H 0.584182 0.14227 0.467597 +H -0.680807 0.743799 1.751414 +H -0.101288 1.903098 0.491055 +H -2.439776 0.960363 -0.1183 +H -1.177888 0.485673 -1.27573 +H 2.750695 1.122188 -0.339958 +H 3.613653 -0.470507 -0.697316 +H 1.494219 -1.689519 0.102109 +""", +) + +entry( + index = 3461, + label = "CH3O-3 + CH3Cl <=> CH4O-3 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000355357,'cm^3/(mol*s)'), n=4.67761, Ea=(11.3574,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.80649, dn = +|- 0.0776961, dEa = +|- 0.422819 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[O] + CCl <=> CO + [CH2]Cl +barrier = 33.758907 kJ/mol +T1 = 0.022518145 + +Atom XYZ coordinates (angstrom) +Cl 1.357833 -0.507611 0.49294 +O -1.771251 0.687526 -0.156908 +C -1.92672 -0.681352 0.056034 +C 0.684351 1.061061 0.127035 +H -1.388926 -1.285197 -0.680494 +H -1.637065 -0.985324 1.065995 +H -2.997817 -0.880493 -0.061971 +H 1.058772 1.435152 -0.818502 +H 0.806283 1.741855 0.961197 +H -0.552052 0.929817 -0.025755 +""", +) + +entry( + index = 3462, + label = "HO + C3H2F4-2 <=> H2O + C3HF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.263909,'cm^3/(mol*s)'), n=4.11505, Ea=(11.2863,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.62511, dn = +|- 0.0637949, dEa = +|- 0.34717 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCDCC(F)(F)F + [OH] <=> O + FCD[C]C(F)(F)F +barrier = 28.964692 kJ/mol +T1 = 0.018247494 + +Atom XYZ coordinates (angstrom) +F 1.700283 0.491692 0.983286 +F 1.659539 0.22556 -1.148544 +F 1.421254 -1.478942 0.151721 +F -2.563501 -0.649428 0.124853 +O -1.442293 2.192346 -0.249689 +C 1.110507 -0.18407 -0.003989 +C -0.362936 0.018387 -0.001147 +C -1.259796 -0.927001 0.134516 +H -0.757618 1.21016 -0.143015 +H -1.045615 -1.98028 0.262225 +H -2.329643 1.803611 -0.184789 +""", +) + +entry( + index = 3463, + label = "O + C2HCl2F3 <=> HO-2 + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(94.129,'cm^3/(mol*s)'), n=3.46465, Ea=(9.66283,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.76683, dn = +|- 0.0747796, dEa = +|- 0.406948 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + FC(F)(F)C(Cl)Cl <=> [OH] + FC(F)(F)[C](Cl)Cl +barrier = 26.000155 kJ/mol +T1 = 0.02030274 + +Atom XYZ coordinates (angstrom) +Cl 1.394932 -0.678799 -1.131361 +Cl 0.863041 1.687967 0.493618 +F -1.433751 0.570828 -1.254087 +F -1.763463 0.369392 0.866358 +F -1.370996 -1.376655 -0.332807 +O 0.738841 -1.303572 2.178356 +C -1.067948 -0.095817 -0.163676 +C 0.431 0.057033 0.104492 +H 0.631887 -0.616515 1.151045 +""", +) + +entry( + index = 3464, + label = "C2H4Cl-4 + CH4O <=> C2H5Cl-4 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(8.49816e-07,'cm^3/(mol*s)'), n=4.98955, Ea=(27.9002,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.27236, dn = +|- 0.107839, dEa = +|- 0.586858 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + C[CH]Cl <=> [CH2]O + CCCl +barrier = 52.749631 kJ/mol +T1 = 0.016299718 + +Atom XYZ coordinates (angstrom) +Cl -0.740104 -1.085417 0.80013 +O 1.974885 -0.392589 -0.957657 +C -0.891841 1.396459 -0.345062 +C -0.357009 0.645087 0.833465 +C 2.205656 0.296368 0.220718 +H -0.46924 0.999433 -1.26844 +H -0.61303 2.447454 -0.259956 +H -1.980091 1.332201 -0.406723 +H 1.016808 0.632768 0.692206 +H -0.586495 1.037938 1.817553 +H 2.654827 -0.297829 1.017521 +H 2.744325 1.215311 0.011728 +H 1.478026 -1.193098 -0.758476 +""", +) + +entry( + index = 3465, + label = "CF3-2 + H2O2 <=> CHF3-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00130527,'cm^3/(mol*s)'), n=4.66338, Ea=(7.74574,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.61422, dn = +|- 0.0629114, dEa = +|- 0.342361 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + OO <=> FC(F)F + [O]O +barrier = 28.277119 kJ/mol +T1 = 0.019385971999999998 + +Atom XYZ coordinates (angstrom) +F 0.98095 -0.967929 0.796838 +F 1.696002 0.171438 -0.897238 +F 0.494569 1.132464 0.625108 +O -1.534233 -0.377956 -1.10307 +O -2.314053 -0.177481 0.023935 +C 0.710693 0.011802 -0.037677 +H -0.492367 -0.28563 -0.722729 +H -2.560755 0.755043 -0.038964 +""", +) + +entry( + index = 3466, + label = "C2H3F2-6 + CH2O <=> C2H4F2-6 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00152503,'cm^3/(mol*s)'), n=4.43141, Ea=(8.15764,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.51181, dn = +|- 0.0543, dEa = +|- 0.295499 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]C(F)F + CDO <=> CC(F)F + [CH]DO +barrier = 26.932255 kJ/mol +T1 = 0.020896118999999998 + +Atom XYZ coordinates (angstrom) +F 1.065347 1.219834 0.644716 +F 1.327132 -0.220975 -0.982506 +O -2.953908 0.060401 -0.444755 +C 1.29443 -0.100445 0.378063 +C 0.189758 -0.923526 0.929131 +C -1.802823 0.322826 -0.494644 +H 2.295568 -0.335458 0.747211 +H -0.028426 -0.753807 1.976625 +H 0.19083 -1.960138 0.614348 +H -0.950053 -0.304342 0.197346 +H -1.367192 1.118774 -1.131438 +""", +) + +entry( + index = 3467, + label = "HO + C2HClF4-2 <=> H2O + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(436.593,'cm^3/(mol*s)'), n=3.2862, Ea=(-1.22477,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08623, dn = +|- 0.0108672, dEa = +|- 0.0591387 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + FC(F)C(F)(F)Cl <=> O + F[C](F)C(F)(F)Cl +barrier = 7.604363 kJ/mol +T1 = 0.019809136 + +Atom XYZ coordinates (angstrom) +Cl -1.994621 0.219082 0.152918 +F 0.678532 1.417407 0.922193 +F 0.544601 1.276602 -1.245733 +F -0.3288 -1.292225 -1.031955 +F -0.11507 -1.20022 1.117358 +O 2.824337 -0.735417 0.032172 +C 0.695683 0.591271 -0.119252 +C -0.388584 -0.481737 0.021125 +H 1.753149 0.018438 -0.144659 +H 2.554377 -1.238631 0.818862 +""", +) + +entry( + index = 3468, + label = "C2H3 + CHCl3-2 <=> C2H4 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(14.8074,'cm^3/(mol*s)'), n=3.63969, Ea=(-3.70722,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03551, dn = +|- 0.00458424, dEa = +|- 0.0249473 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + ClC(Cl)Cl <=> CDC + Cl[C](Cl)Cl +barrier = 0.507112 kJ/mol +T1 = 0.016828001000000002 + +Atom XYZ coordinates (angstrom) +Cl -0.906919 -1.111107 1.122639 +Cl -0.849214 1.728975 0.487734 +Cl -0.638519 -0.243432 -1.642398 +C 2.362 0.10476 0.184439 +C 2.936807 -0.186577 -0.954095 +C -0.302667 0.125872 0.039208 +H 0.944399 0.12688 0.153834 +H 2.771497 0.335806 1.158755 +H 4.019375 -0.231369 -1.046317 +H 2.360472 -0.394446 -1.848885 +""", +) + +entry( + index = 3469, + label = "C3HF4-4 + HO-4 <=> C3H2F4-4 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(46.7656,'cm^3/(mol*s)'), n=3.23109, Ea=(4.48563,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05707, dn = +|- 0.00729111, dEa = +|- 0.0396779 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + FCD[C]C(F)(F)F <=> FCDCC(F)(F)F + [O] +barrier = 16.053557 kJ/mol +T1 = 0.017710583999999998 + +Atom XYZ coordinates (angstrom) +F -2.020417 -0.334808 0.614696 +F -0.914099 -1.837566 -0.469893 +F -1.559057 -0.032633 -1.46206 +F 2.441884 0.29691 0.583889 +O -0.088021 2.617176 0.36333 +C -1.084298 -0.516837 -0.315453 +C 1.37555 -0.407523 0.244403 +C 0.19626 0.131681 0.063433 +H 1.569768 -1.469123 0.130875 +H 0.08233 1.552823 0.24688 +""", +) + +entry( + index = 3470, + label = "C3H7-4 + C2H5Cl <=> C3H8-4 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.13868e-05,'cm^3/(mol*s)'), n=4.69157, Ea=(23.4488,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.92244, dn = +|- 0.0858695, dEa = +|- 0.467298 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CC + CCCl <=> CCC + C[CH]Cl +barrier = 44.429100 kJ/mol +T1 = 0.013668361 + +Atom XYZ coordinates (angstrom) +Cl 2.445557 -0.479678 0.158656 +C -2.190527 -0.211758 -0.556765 +C -2.640346 0.548799 0.686116 +C -1.043646 -1.144636 -0.270696 +C 0.852153 1.605102 -0.611897 +C 0.980893 0.485397 0.377716 +H -1.903022 0.493344 -1.34081 +H -3.037016 -0.777848 -0.960266 +H -2.958939 -0.143705 1.466354 +H -3.471815 1.218067 0.468948 +H -1.823315 1.14761 1.093108 +H -1.191911 -1.812831 0.57525 +H -0.614557 -1.654538 -1.129434 +H -0.01572 -0.358103 0.136686 +H -0.080654 2.143616 -0.435609 +H 0.840772 1.214587 -1.629688 +H 1.679638 2.311816 -0.527505 +H 0.895518 0.765472 1.422729 +""", +) + +entry( + index = 3471, + label = "C2H3Cl2-4 + C3H6O-4 <=> C2H4Cl2-4 + C3H5O-4", + degeneracy = 6.0, + kinetics = Arrhenius(A=(1.22737e-05,'cm^3/(mol*s)'), n=4.53091, Ea=(28.8662,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.68609, dn = +|- 0.0686348, dEa = +|- 0.373508 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(C)DO + Cl[CH]CCl <=> [CH2]C(C)DO + ClCCCl +barrier = 47.491770 kJ/mol +T1 = 0.015366676000000001 + +Atom XYZ coordinates (angstrom) +Cl -0.108271 2.099453 -0.389346 +Cl -2.178869 -1.611806 0.27528 +O 1.754485 -1.004557 -1.095904 +C -0.857427 0.716816 0.378502 +C -1.447453 -0.240835 -0.610742 +C 3.226587 0.448191 0.090531 +C 2.055774 -0.492537 -0.036186 +C 1.237871 -0.730405 1.172404 +H 0.192731 0.033251 0.931453 +H -1.493923 1.014736 1.204095 +H -0.67726 -0.640806 -1.266577 +H -2.237535 0.224372 -1.197137 +H 3.976637 0.012636 0.753064 +H 2.899315 1.386505 0.540878 +H 3.660573 0.633381 -0.887364 +H 0.767012 -1.707275 1.20614 +H 1.632083 -0.372917 2.117771 +""", +) + +entry( + index = 3472, + label = "HO + C2HF5 <=> H2O + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(108.079,'cm^3/(mol*s)'), n=3.43515, Ea=(1.57413,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15614, dn = +|- 0.0190619, dEa = +|- 0.103734 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)(F)F + [OH] <=> O + F[C](F)C(F)(F)F +barrier = 12.229454 kJ/mol +T1 = 0.019902224 + +Atom XYZ coordinates (angstrom) +F 0.512705 1.759568 0.302554 +F 0.724504 0.618618 -1.540221 +F -0.923673 -0.275696 1.401694 +F -1.786583 0.356536 -0.47224 +F -0.629277 -1.464858 -0.378307 +O 2.365115 -0.93686 0.674168 +C 0.552857 0.540832 -0.222872 +C -0.736377 -0.223305 0.092166 +H 1.474727 -0.069911 0.260112 +H 2.105603 -1.716024 0.154199 +""", +) + +entry( + index = 3473, + label = "CH2F-2 + H2O2 <=> CH3F-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(7.29486e-05,'cm^3/(mol*s)'), n=4.71135, Ea=(6.90614,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.76045, dn = +|- 0.0743048, dEa = +|- 0.404364 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]F + OO <=> CF + [O]O +barrier = 33.389759 kJ/mol +T1 = 0.021168614 + +Atom XYZ coordinates (angstrom) +F -1.231497 -0.83098 -0.331873 +O 1.183883 0.907439 -0.599846 +O 1.652976 -0.085105 0.243509 +C -1.240269 0.510258 -0.180808 +H -1.403363 0.795682 0.854483 +H -1.852835 0.995639 -0.935103 +H 0.035005 0.88587 -0.430486 +H 1.663019 -0.870992 -0.318771 +""", +) + +entry( + index = 3474, + label = "CF3-2 + C2H4F2-3 <=> CHF3-2 + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.59798e-06,'cm^3/(mol*s)'), n=5.60354, Ea=(19.8568,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.8601, dn = +|- 0.138062, dEa = +|- 0.751326 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + F[C](F)F <=> FC(F)F + F[CH]CF +barrier = 44.093326 kJ/mol +T1 = 0.015902676 + +Atom XYZ coordinates (angstrom) +F 1.517398 1.406907 -0.720049 +F 1.446418 -1.436223 -0.3476 +F -2.323258 0.847132 0.175444 +F -1.493711 -0.408527 -1.377189 +F -1.612267 -1.138308 0.656469 +C 1.106071 0.763024 0.402046 +C 1.827414 -0.526219 0.618087 +C -1.411121 -0.072417 -0.105316 +H -0.136678 0.420728 0.182731 +H 1.103455 1.439577 1.254966 +H 1.572045 -0.933003 1.59745 +H 2.908163 -0.386768 0.541388 +""", +) + +entry( + index = 3475, + label = "C2H3 + CHF3 <=> C2H4 + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.0514e-05,'cm^3/(mol*s)'), n=5.03692, Ea=(16.9008,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.13444, dn = +|- 0.0996126, dEa = +|- 0.542088 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + [CH]DC <=> F[C](F)F + CDC +barrier = 38.507966 kJ/mol +T1 = 0.017004048 + +Atom XYZ coordinates (angstrom) +F -0.724588 -1.244084 0.422841 +F -1.389953 0.752089 0.922636 +F -1.501947 0.056301 -1.120507 +C 1.753657 0.684352 -0.369811 +C 2.53904 -0.32221 -0.07015 +C -0.793579 0.012351 -0.001254 +H 0.444532 0.44807 -0.217482 +H 2.003095 1.676572 -0.72139 +H 3.618812 -0.24488 -0.155744 +H 2.141692 -1.270197 0.274473 +""", +) + +entry( + index = 3476, + label = "C2F5-2 + C2H6 <=> C2HF5-2 + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.000107525,'cm^3/(mol*s)'), n=5.07281, Ea=(22.8465,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.09966, dn = +|- 0.0974542, dEa = +|- 0.530342 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC + F[C](F)C(F)(F)F <=> FC(F)C(F)(F)F + C[CH2] +barrier = 43.045873 kJ/mol +T1 = 0.015094264 + +Atom XYZ coordinates (angstrom) +F -0.526391 1.251782 1.225025 +F -0.388898 1.691757 -0.907601 +F -0.297934 -0.996565 -1.434967 +F -2.092328 -0.43915 -0.372733 +F -0.480596 -1.417021 0.677416 +C -0.111541 0.796563 0.041843 +C -0.768748 -0.536294 -0.277667 +C 2.788511 -1.027598 0.340057 +C 2.559176 0.442292 0.107817 +H 1.25357 0.621289 0.082262 +H 2.339466 -1.62977 -0.449402 +H 2.370343 -1.350343 1.292648 +H 3.857746 -1.252258 0.356187 +H 2.872159 1.099747 0.914636 +H 2.862886 0.815976 -0.866565 +""", +) + +entry( + index = 3477, + label = "C3H7-2 + CHCl3-2 <=> C3H8-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0257753,'cm^3/(mol*s)'), n=4.03231, Ea=(2.60359,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.23738, dn = +|- 0.0279836, dEa = +|- 0.152286 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]C + ClC(Cl)Cl <=> CCC + Cl[C](Cl)Cl +barrier = 15.955686 kJ/mol +T1 = 0.01434053 + +Atom XYZ coordinates (angstrom) +Cl -0.556562 -0.257811 1.725192 +Cl -1.552774 -1.319219 -0.79647 +Cl -1.434226 1.560736 -0.373144 +C 2.399663 1.165438 -0.085949 +C 2.279456 -1.35577 -0.498191 +C -0.729053 0.003183 0.001259 +C 1.795482 0.023127 -0.856947 +H 1.928585 2.115568 -0.33523 +H 3.468671 1.253837 -0.304424 +H 2.298607 1.002248 0.988525 +H 3.34068 -1.466499 -0.742911 +H 1.730886 -2.129201 -1.034427 +H 2.171182 -1.536333 0.572877 +H 0.522154 0.024245 -0.492694 +H 1.710087 0.202483 -1.927871 +""", +) + +entry( + index = 3478, + label = "C2HF4-3 + CH2F2 <=> C2H2F4-3 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.10541e-07,'cm^3/(mol*s)'), n=5.61421, Ea=(32.0305,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.19189, dn = +|- 0.152481, dEa = +|- 0.829797 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + F[CH]C(F)(F)F <=> FCC(F)(F)F + F[CH]F +barrier = 58.787610 kJ/mol +T1 = 0.015919172 + +Atom XYZ coordinates (angstrom) +F 0.437867 1.88847 -0.079767 +F 2.516477 0.066695 0.293241 +F 1.04755 -1.476853 0.654801 +F 1.164026 -0.512067 -1.27833 +F -1.986313 -1.55797 -0.530366 +F -3.065673 0.159591 0.272714 +C 0.247212 0.690796 0.510401 +C 1.261825 -0.313349 0.039112 +C -2.070944 -0.226756 -0.530408 +H -0.938458 0.221473 0.017291 +H 0.17154 0.766955 1.591405 +H -2.187846 0.170735 -1.537982 +""", +) + +entry( + index = 3479, + label = "C2H4F-4 + H2O2 <=> C2H5F-4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000224377,'cm^3/(mol*s)'), n=4.12429, Ea=(0.782738,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.25157, dn = +|- 0.0294815, dEa = +|- 0.160437 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CF + OO <=> CCF + [O]O +barrier = 22.311853 kJ/mol +T1 = 0.019766225 + +Atom XYZ coordinates (angstrom) +F 1.098476 -0.990961 -0.40628 +O -1.690242 0.402063 -0.67712 +O -1.720561 -0.71259 0.146625 +C 1.116564 0.033291 0.535958 +C 0.581592 1.280548 -0.074484 +H 2.154786 0.153321 0.860655 +H 0.512825 -0.291034 1.384154 +H 0.437406 2.106466 0.614442 +H 1.017382 1.556904 -1.029802 +H -0.694283 0.915518 -0.42807 +H -1.25141 -1.3818 -0.371956 +""", +) + +entry( + index = 3480, + label = "C2H3O-5 + CHCl3-2 <=> C2H4O-5 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00370875,'cm^3/(mol*s)'), n=4.72462, Ea=(22.2759,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.90523, dn = +|- 0.0846881, dEa = +|- 0.46087 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CDO + ClC(Cl)Cl <=> CCDO + Cl[C](Cl)Cl +barrier = 39.958454 kJ/mol +T1 = 0.017220213999999998 + +Atom XYZ coordinates (angstrom) +Cl 0.415513 -1.536365 -0.789923 +Cl 0.776223 1.325416 -1.172451 +Cl 2.089801 -0.021615 1.049145 +O -3.16538 0.143018 -0.10127 +C 0.731152 0.005725 -0.042434 +C -1.428107 0.44565 1.464386 +C -2.469414 -0.321651 0.770892 +H -0.345276 0.216398 0.717602 +H -1.513703 1.523824 1.374568 +H -1.103123 0.070585 2.429512 +H -2.57147 -1.38092 1.063982 +""", +) + +entry( + index = 3481, + label = "H + CHCl2F <=> H2 + CCl2F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1002.36,'cm^3/(mol*s)'), n=3.26685, Ea=(8.0317,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.74629, dn = +|- 0.0732432, dEa = +|- 0.398587 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + FC(Cl)Cl <=> [H][H] + F[C](Cl)Cl +barrier = 28.365549 kJ/mol +T1 = 0.01694966 + +Atom XYZ coordinates (angstrom) +Cl 1.465463 -0.457108 0.147098 +Cl -1.441538 -0.5957 -0.125082 +F -0.021919 1.450371 -0.635 +C -0.049349 0.406064 0.190162 +H -0.185926 0.887618 1.385758 +H -0.31516 1.316378 2.2456 +""", +) + +entry( + index = 3482, + label = "C2ClF4 + C2H6 <=> C2HClF4 + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.000512344,'cm^3/(mol*s)'), n=4.96419, Ea=(23.6296,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.95239, dn = +|- 0.0879001, dEa = +|- 0.478349 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC + F[C](F)C(F)(F)Cl <=> C[CH2] + FC(F)C(F)(F)Cl +barrier = 42.481741 kJ/mol +T1 = 0.015079591000000002 + +Atom XYZ coordinates (angstrom) +Cl 2.372581 -0.364354 -0.188497 +F 0.241404 1.861387 0.038441 +F -0.266573 0.441158 -1.535823 +F 0.725484 -0.211056 1.745792 +F 0.193594 -1.623212 0.196159 +C -0.184752 0.625987 -0.217524 +C 0.714448 -0.41344 0.426092 +C -3.238319 -0.688043 -0.458345 +C -2.702977 0.213093 0.621234 +H -1.442403 0.459827 0.291573 +H -3.215865 -0.198697 -1.431259 +H -2.659419 -1.608664 -0.527357 +H -4.274992 -0.965683 -0.252273 +H -2.596689 -0.239816 1.603738 +H -3.139176 1.207036 0.670324 +""", +) + +entry( + index = 3483, + label = "CH3-2 + C2H5F-2 <=> CH4-2 + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000211752,'cm^3/(mol*s)'), n=5.10524, Ea=(26.5142,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.55734, dn = +|- 0.123362, dEa = +|- 0.67133 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [CH3] <=> C + C[CH]F +barrier = 52.841497 kJ/mol +T1 = 0.015977129 + +Atom XYZ coordinates (angstrom) +F -0.670865 -1.267532 -0.670572 +C -1.406293 0.893316 -0.024451 +C -0.553606 -0.294787 0.289541 +C 2.003927 0.461553 -0.011273 +H -1.2672 1.657344 0.740023 +H -1.126894 1.312924 -0.990801 +H -2.463024 0.621767 -0.057209 +H 0.689361 0.078199 0.233318 +H -0.701733 -0.74223 1.271341 +H 2.528918 0.249814 0.913054 +H 2.293487 -0.169749 -0.843278 +H 1.938051 1.51637 -0.253803 +""", +) + +entry( + index = 3484, + label = "C2HF4-4 + H2O2 <=> C2H2F4-4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.05919e-05,'cm^3/(mol*s)'), n=4.73937, Ea=(5.76014,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.63523, dn = +|- 0.0646104, dEa = +|- 0.351607 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)F + OO <=> FC(F)C(F)F + [O]O +barrier = 27.920643 kJ/mol +T1 = 0.018733711 + +Atom XYZ coordinates (angstrom) +F 0.659193 1.525901 -0.278827 +F 1.68362 0.208496 1.134394 +F -0.376694 -0.681147 -1.542977 +F 0.56447 -1.961751 -0.057032 +O -1.735908 0.08915 1.157846 +O -2.356338 0.93147 0.255468 +C 1.214932 0.306195 -0.11897 +C 0.126562 -0.736768 -0.316898 +H 2.036677 0.189432 -0.829857 +H -0.900757 -0.389558 0.561325 +H -1.912016 1.778739 0.398575 +""", +) + +entry( + index = 3485, + label = "Cl + HO-4 <=> ClH + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.91345e+06,'cm^3/(mol*s)'), n=2.13065, Ea=(17.7689,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.29815, dn = +|- 0.0342828, dEa = +|- 0.186566 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + [Cl] <=> [O] + Cl +barrier = 28.873414 kJ/mol +T1 = 0.040884706 + +Atom XYZ coordinates (angstrom) +Cl 1.286629 -0.163837 0.0 +O -1.223377 -0.15487 -0.0 +H -0.063252 0.318708 -0.0 +""", +) + +entry( + index = 3486, + label = "O + C2H4F2-2 <=> HO-2 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(240.606,'cm^3/(mol*s)'), n=3.47429, Ea=(17.3738,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.86418, dn = +|- 0.0818262, dEa = +|- 0.445295 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [O] <=> [OH] + C[C](F)F +barrier = 33.183855 kJ/mol +T1 = 0.02139709 + +Atom XYZ coordinates (angstrom) +F 0.42394 1.288696 -0.408425 +F -0.178935 -0.588046 -1.317029 +O -1.720355 -0.185176 1.401552 +C 1.411782 -0.691597 0.43384 +C 0.228777 -0.014626 -0.179209 +H 1.172384 -1.734294 0.625245 +H 2.2526 -0.626786 -0.258098 +H 1.666477 -0.198757 1.36846 +H -0.760798 -0.088548 0.623033 +""", +) + +entry( + index = 3487, + label = "C2H2F3-6 + HO-4 <=> C2H3F3-6 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0136376,'cm^3/(mol*s)'), n=3.94229, Ea=(18.668,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.74619, dn = +|- 0.0732363, dEa = +|- 0.398549 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + [CH2]C(F)(F)F <=> CC(F)(F)F + [O] +barrier = 43.270381 kJ/mol +T1 = 0.017455198 + +Atom XYZ coordinates (angstrom) +F -0.616389 -0.446101 1.22228 +F -0.291356 -1.018228 -0.83161 +F -1.74113 0.503907 -0.352776 +O 2.632687 -0.100227 0.489926 +C -0.533299 0.019385 -0.026703 +C 0.518603 1.073711 -0.153933 +H 0.425202 1.871391 0.573352 +H 0.702991 1.382353 -1.175989 +H 1.650992 0.45067 0.200131 +""", +) + +entry( + index = 3488, + label = "C2H5-2 + CH2Cl2 <=> C2H6-2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000600096,'cm^3/(mol*s)'), n=4.55875, Ea=(15.7842,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.74256, dn = +|- 0.0729624, dEa = +|- 0.397059 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH2] + ClCCl <=> CC + Cl[CH]Cl +barrier = 36.214457 kJ/mol +T1 = 0.015088303 + +Atom XYZ coordinates (angstrom) +Cl 0.847686 0.206055 1.332066 +Cl 0.398891 1.380019 -1.320116 +C -2.741763 0.416885 0.314736 +C 0.432234 -0.071667 -0.344671 +C -2.118119 -0.841778 -0.221329 +H -2.622417 1.244408 -0.383939 +H -3.81276 0.28231 0.488994 +H -2.288671 0.70628 1.263115 +H -0.81284 -0.549143 -0.33994 +H 1.090374 -0.811094 -0.783353 +H -2.403049 -1.119248 -1.23255 +H -2.107237 -1.689732 0.45841 +""", +) + +entry( + index = 3489, + label = "CH3-2 + C2H2F4 <=> CH4-2 + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00123401,'cm^3/(mol*s)'), n=4.83336, Ea=(27.3064,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.15842, dn = +|- 0.101081, dEa = +|- 0.550078 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + [CH3] <=> C + F[CH]C(F)(F)F +barrier = 50.855998 kJ/mol +T1 = 0.015414688000000001 + +Atom XYZ coordinates (angstrom) +F -0.660495 1.810486 0.44317 +F 0.95914 -1.281381 0.189947 +F 0.34583 0.030284 -1.417022 +F 1.863131 0.669179 -0.031586 +C -0.362834 0.531051 0.762526 +C 0.714654 -0.007281 -0.135428 +C -2.526175 -0.861067 0.021396 +H -1.433707 -0.200327 0.474278 +H -0.128444 0.418882 1.817932 +H -2.127383 -1.806651 -0.328082 +H -2.899209 -0.214467 -0.764373 +H -3.173178 -0.937186 0.88752 +""", +) + +entry( + index = 3490, + label = "CH2F-2 + C2H4F2-3 <=> CH3F-2 + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.29817e-06,'cm^3/(mol*s)'), n=5.31012, Ea=(32.5077,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.87963, dn = +|- 0.138956, dEa = +|- 0.756193 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + [CH2]F <=> CF + F[CH]CF +barrier = 58.309605 kJ/mol +T1 = 0.016121525 + +Atom XYZ coordinates (angstrom) +F 0.87902 -1.390083 -1.021975 +F 1.536574 1.207394 0.02163 +F -1.633902 1.383087 0.986401 +C 0.41592 -0.85887 0.144593 +C 1.401722 0.058451 0.782998 +C -1.556185 0.899384 -0.284253 +H -0.623255 -0.073447 -0.179759 +H 0.032225 -1.641606 0.796115 +H 2.388714 -0.40483 0.854904 +H 1.047423 0.343931 1.773933 +H -1.145381 1.640268 -0.962616 +H -2.492612 0.438875 -0.585765 +""", +) + +entry( + index = 3491, + label = "C2H3 + C2H3F3-3 <=> C2H4 + C2H2F3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000403061,'cm^3/(mol*s)'), n=4.70465, Ea=(8.57144,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.68805, dn = +|- 0.068787, dEa = +|- 0.374336 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [CH]DC <=> CDC + FC[C](F)F +barrier = 27.342049 kJ/mol +T1 = 0.016516513 + +Atom XYZ coordinates (angstrom) +F -0.833044 1.660568 0.017352 +F -0.854077 -1.837647 0.349975 +F -0.792199 -0.705312 -1.513741 +C -1.30297 0.453563 0.479107 +C -0.536671 -0.649564 -0.19825 +C 2.457969 0.995649 0.186014 +C 2.090656 -0.263182 0.155284 +H -1.144979 0.394082 1.555121 +H -2.366132 0.373965 0.242483 +H 0.74201 -0.482007 -0.047078 +H 3.494887 1.279556 0.343249 +H 1.7427 1.799157 0.051612 +H 2.683327 -1.161333 0.269264 +""", +) + +entry( + index = 3492, + label = "C2H3 + C2H5Cl-2 <=> C2H4 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00409159,'cm^3/(mol*s)'), n=4.55921, Ea=(14.6966,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.63553, dn = +|- 0.064635, dEa = +|- 0.351741 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + CCCl <=> CDC + [CH2]CCl +barrier = 32.009223 kJ/mol +T1 = 0.01566629 + +Atom XYZ coordinates (angstrom) +Cl -2.483824 0.115391 -0.095262 +C 0.062911 0.810737 0.601176 +C -0.74052 -0.336043 0.081162 +C 2.99322 -0.270023 -0.66939 +C 2.559694 -0.147225 0.562881 +H 1.270517 0.381803 0.676998 +H -0.194424 1.110299 1.613199 +H 0.112512 1.660207 -0.074328 +H -0.414291 -0.651172 -0.905439 +H -0.720855 -1.188696 0.752975 +H 2.387402 0.03869 -1.515296 +H 3.973019 -0.67917 -0.898638 +H 3.05233 -0.408985 1.490489 +""", +) + +entry( + index = 3493, + label = "HO + C2H3F3-2 <=> H2O + C2H2F3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(71.6394,'cm^3/(mol*s)'), n=3.27905, Ea=(-0.669793,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08484, dn = +|- 0.0106983, dEa = +|- 0.05822 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [OH] <=> O + F[CH]C(F)F +barrier = 9.740594 kJ/mol +T1 = 0.020423783 + +Atom XYZ coordinates (angstrom) +F -0.772194 -0.238579 1.136474 +F -1.209461 -1.201064 -0.778042 +F 0.827084 1.60527 -0.284655 +O 1.96301 -1.302319 0.444311 +C -0.848835 -0.034025 -0.203623 +C 0.504816 0.366944 -0.731741 +H -1.619984 0.716139 -0.386536 +H 0.56577 0.314921 -1.818171 +H 1.372509 -1.328731 1.215799 +H 1.29675 -0.41774 -0.296927 +""", +) + +entry( + index = 3494, + label = "CCl3 + H2O2 <=> CHCl3 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.28226e-06,'cm^3/(mol*s)'), n=5.34466, Ea=(11.312,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.36886, dn = +|- 0.113304, dEa = +|- 0.616593 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + Cl[C](Cl)Cl <=> [O]O + ClC(Cl)Cl +barrier = 39.804124 kJ/mol +T1 = 0.020657593000000002 + +Atom XYZ coordinates (angstrom) +Cl 0.191011 -1.151818 1.329077 +Cl 0.064371 1.627916 0.491017 +Cl 1.849483 -0.221434 -0.878235 +O -2.581107 0.009751 -0.623923 +O -1.584133 -0.411891 -1.465031 +C 0.375925 -0.023334 0.023334 +H -0.611425 -0.302834 -0.822106 +H -2.682094 0.948512 -0.837399 +""", +) + +entry( + index = 3495, + label = "C2F5-2 + H2O2 <=> C2HF5-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.23688e-05,'cm^3/(mol*s)'), n=4.8052, Ea=(8.17727,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.73959, dn = +|- 0.0727382, dEa = +|- 0.395839 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)F + OO <=> FC(F)C(F)(F)F + [O]O +barrier = 30.470830 kJ/mol +T1 = 0.018351698 + +Atom XYZ coordinates (angstrom) +F -1.241391 -0.313895 1.394947 +F -0.441487 -1.532479 -0.201249 +F -2.04647 -0.145039 -0.5993 +F -0.294919 1.934742 0.184295 +F 0.439186 0.734915 -1.477243 +O 2.146707 -0.157063 0.980556 +O 2.65567 -0.936785 -0.039342 +C -0.937511 -0.335765 0.106185 +C 0.108739 0.73513 -0.197935 +H 1.2523 0.348802 0.521129 +H 2.274442 -1.809056 0.132793 +""", +) + +entry( + index = 3496, + label = "HO + C2H4F2-2 <=> H2O + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4552.15,'cm^3/(mol*s)'), n=2.97703, Ea=(-0.778445,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02983, dn = +|- 0.00386171, dEa = +|- 0.0210153 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [OH] <=> O + C[C](F)F +barrier = 5.881314 kJ/mol +T1 = 0.021356472999999997 + +Atom XYZ coordinates (angstrom) +F 1.096959 -0.586488 -0.833723 +F 0.188605 -0.713683 1.139158 +O -2.187165 -0.230912 -0.724126 +C 0.647078 1.440505 0.288342 +C 0.242493 0.026778 0.007838 +H 0.678526 2.00034 -0.643057 +H -0.074883 1.89592 0.961442 +H 1.634291 1.439873 0.750051 +H -0.819716 -0.020833 -0.473424 +H -2.307058 -0.993662 -0.134623 +""", +) + +entry( + index = 3497, + label = "H + C2H4Cl2 <=> H2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(4835.36,'cm^3/(mol*s)'), n=3.16527, Ea=(14.9109,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.76283, dn = +|- 0.0744823, dEa = +|- 0.40533 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + ClCCCl <=> [H][H] + Cl[CH]CCl +barrier = 33.239346 kJ/mol +T1 = 0.015128118000000001 + +Atom XYZ coordinates (angstrom) +Cl 2.153744 -0.188171 -0.039132 +Cl -2.143402 0.018679 -0.002216 +C 0.507365 0.381266 -0.227561 +C -0.498411 -0.653767 0.176933 +H 0.353895 1.381621 0.623979 +H 0.354715 0.822041 -1.206475 +H -0.366362 -0.939961 1.216842 +H -0.436234 -1.538017 -0.453806 +H 0.196286 2.042691 1.283283 +""", +) + +entry( + index = 3498, + label = "Cl + C2H4Cl2-2 <=> ClH + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(41538.7,'cm^3/(mol*s)'), n=2.90862, Ea=(-1.73871,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.20256, dn = +|- 0.0242337, dEa = +|- 0.131879 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + CC(Cl)Cl <=> Cl + [CH2]C(Cl)Cl +barrier = 0.146757 kJ/mol +T1 = 0.014547846000000001 + +Atom XYZ coordinates (angstrom) +Cl -0.500137 1.601178 -0.018644 +Cl -2.259874 -0.743573 0.072327 +Cl 2.900511 -0.140555 0.026688 +C -0.569413 -0.151231 0.221233 +C 0.253835 -0.871867 -0.7822 +H -0.264955 -0.353832 1.241355 +H 0.174957 -0.527955 -1.807107 +H 0.343247 -1.942236 -0.633547 +H 1.595006 -0.478676 -0.454338 +""", +) + +entry( + index = 3499, + label = "H + C2HF3O <=> H2 + C2F3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3337.54,'cm^3/(mol*s)'), n=3.09142, Ea=(5.98056,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.58757, dn = +|- 0.0607247, dEa = +|- 0.330462 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCC(F)(F)F + [H] <=> [H][H] + OD[C]C(F)(F)F +barrier = 24.898126 kJ/mol +T1 = 0.019564073 + +Atom XYZ coordinates (angstrom) +F -0.864822 -0.645851 1.054657 +F -0.740927 1.240186 0.010248 +F -0.829399 -0.607851 -1.103424 +O 1.93629 0.728137 0.044546 +C -0.356618 -0.022724 -0.005692 +C 1.182081 -0.172173 0.016866 +H 1.539926 -1.410321 0.000152 +H 1.831171 -2.400466 -0.017302 +""", +) + +entry( + index = 3500, + label = "C2ClF4 + CH2O <=> C2HClF4 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000928212,'cm^3/(mol*s)'), n=4.83601, Ea=(9.20358,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.76165, dn = +|- 0.0743944, dEa = +|- 0.404852 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Cl + CDO <=> FC(F)C(F)(F)Cl + [CH]DO +barrier = 28.055755 kJ/mol +T1 = 0.018844776 + +Atom XYZ coordinates (angstrom) +Cl 2.42019 0.22195 0.067919 +F 0.590211 -1.27063 1.018725 +F 0.689968 -1.201362 -1.140861 +F -0.29729 1.311189 1.068525 +F -0.196886 1.381035 -1.106865 +O -3.718326 -0.100246 -0.229874 +C 0.79612 -0.466204 -0.029181 +C -0.293142 0.589163 -0.045616 +C -2.722296 -0.728527 -0.199501 +H -1.57863 -0.147569 -0.12863 +H -2.675416 -1.836199 -0.227634 +""", +) + +entry( + index = 3501, + label = "C2H3F2-5 + CH2O <=> C2H4F2-5 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.36749e-05,'cm^3/(mol*s)'), n=5.18882, Ea=(14.937,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.33169, dn = +|- 0.111225, dEa = +|- 0.605284 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]CF + CDO <=> FCCF + [CH]DO +barrier = 39.885022 kJ/mol +T1 = 0.02057343 + +Atom XYZ coordinates (angstrom) +F -1.244056 -0.843664 -0.764245 +F -0.61578 1.877146 0.098993 +O 2.637043 -0.906856 0.038904 +C -1.471144 -0.298724 0.495627 +C -0.434722 0.722153 0.796849 +C 1.737106 -0.342535 -0.478484 +H -2.47383 0.135199 0.481859 +H -1.422828 -1.10597 1.226362 +H -0.236671 0.925409 1.845497 +H 0.772857 0.175744 0.217893 +H 1.601283 -0.253516 -1.575873 +""", +) + +entry( + index = 3502, + label = "CHCl2-2 + C2H4O <=> CH2Cl2-2 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000178472,'cm^3/(mol*s)'), n=4.79279, Ea=(14.0962,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.89942, dn = +|- 0.0842864, dEa = +|- 0.458683 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + Cl[CH]Cl <=> C[C]DO + ClCCl +barrier = 33.601962 kJ/mol +T1 = 0.019656101000000002 + +Atom XYZ coordinates (angstrom) +Cl -0.889842 1.620109 -0.266212 +Cl -1.354086 -1.007141 0.950628 +O 2.63579 -1.006684 -1.062849 +C 2.337153 0.042902 1.094054 +C -0.753666 -0.111457 -0.419642 +C 1.941613 -0.506323 -0.244805 +H 2.044895 1.092796 1.136036 +H 1.767235 -0.479699 1.863155 +H 3.406407 -0.070724 1.256569 +H 0.676541 -0.375524 -0.444142 +H -1.182243 -0.465742 -1.348096 +""", +) + +entry( + index = 3503, + label = "C2H3Cl2-4 + C3H4 <=> C2H4Cl2-4 + C3H3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(4.26324e-05,'cm^3/(mol*s)'), n=4.91883, Ea=(31.2803,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.21529, dn = +|- 0.104498, dEa = +|- 0.568673 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCDC + Cl[CH]CCl <=> [CH]DCDC + ClCCCl +barrier = 52.341871 kJ/mol +T1 = 0.016790448 + +Atom XYZ coordinates (angstrom) +Cl 0.970305 1.532687 0.882642 +Cl 0.855999 -2.446159 -0.73761 +C 0.893434 0.186459 -0.226273 +C 1.067285 -1.132418 0.459098 +C -2.933813 1.986502 0.516779 +C -2.343157 1.055031 -0.196978 +C -1.692404 0.179015 -0.858514 +H -0.409391 0.194625 -0.65508 +H 1.50459 0.354763 -1.105798 +H 0.31571 -1.266219 1.233086 +H 2.060312 -1.245415 0.889881 +H -3.286627 1.778395 1.517608 +H -3.090914 2.977466 0.113304 +H -2.006654 -0.586948 -1.548659 +""", +) + +entry( + index = 3504, + label = "ClO-2 + CHClO <=> ClHO-2 + CClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.139443,'cm^3/(mol*s)'), n=3.60576, Ea=(12.8822,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.08805, dn = +|- 0.096726, dEa = +|- 0.526379 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]Cl + ODCCl <=> OCl + OD[C]Cl +barrier = 33.472057 kJ/mol +T1 = 0.029818453999999998 + +Atom XYZ coordinates (angstrom) +Cl -2.400554 -0.31404 0.183887 +Cl 2.374572 0.061454 0.124964 +O -0.603502 1.589973 0.044453 +O 1.191343 -1.051747 0.204518 +C -0.817667 0.447075 0.121323 +H 0.099492 -0.416119 0.170858 +""", +) + +entry( + index = 3505, + label = "C2H3Cl2-4 + C2H4O <=> C2H4Cl2-4 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.13814e-05,'cm^3/(mol*s)'), n=4.72951, Ea=(14.5604,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.83948, dn = +|- 0.0800742, dEa = +|- 0.435761 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + Cl[CH]CCl <=> C[C]DO + ClCCCl +barrier = 33.737239 kJ/mol +T1 = 0.018909343000000002 + +Atom XYZ coordinates (angstrom) +Cl -0.0072 -1.987759 0.203503 +Cl -1.253559 0.951674 -1.035408 +O 2.830645 0.678462 1.135458 +C 2.404443 0.473063 -1.234646 +C -0.912283 -0.719015 1.106541 +C -0.636724 0.644135 0.575584 +C 2.079633 0.634615 0.21955 +H 2.053924 1.358232 -1.766813 +H 1.841497 -0.377457 -1.619504 +H 3.474202 0.335707 -1.375836 +H -1.962414 -0.995532 1.031135 +H -0.587311 -0.782576 2.14184 +H 0.8145 0.715219 0.432338 +H -0.88788 1.456214 1.248817 +""", +) + +entry( + index = 3506, + label = "ClO-2 + H2O2 <=> ClHO-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0864099,'cm^3/(mol*s)'), n=3.99429, Ea=(6.5601,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.48852, dn = +|- 0.0522608, dEa = +|- 0.284401 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + [O]Cl <=> [O]O + OCl +barrier = 25.953199 kJ/mol +T1 = 0.035558991 + +Atom XYZ coordinates (angstrom) +Cl 0.740494 0.310579 -0.949651 +O -1.965345 -0.295323 -0.218932 +O 0.755426 0.167635 0.648886 +O -1.531975 -0.231539 1.071526 +H -2.307791 0.594231 -0.395014 +H -0.427423 -0.111121 0.982722 +""", +) + +entry( + index = 3507, + label = "HO + C2H4F2 <=> H2O + C2H3F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(41.636,'cm^3/(mol*s)'), n=3.42765, Ea=(1.6447,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.1516, dn = +|- 0.0185442, dEa = +|- 0.100917 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [OH] <=> O + [CH2]C(F)F +barrier = 14.125042 kJ/mol +T1 = 0.01995945 + +Atom XYZ coordinates (angstrom) +F 0.389815 1.213992 -0.359994 +F 1.811871 -0.398804 0.030768 +O -2.479265 0.409037 0.304904 +C 0.554438 0.035531 0.309612 +C -0.455627 -0.956442 -0.170564 +H 0.496824 0.249809 1.376034 +H -0.443244 -1.880838 0.399525 +H -0.389332 -1.117521 -1.243202 +H -2.074213 1.185724 -0.115025 +H -1.535645 -0.46336 0.045847 +""", +) + +entry( + index = 3508, + label = "C3HF4-5 + CH4 <=> C3H2F4-5 + CH3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.115229,'cm^3/(mol*s)'), n=4.45282, Ea=(12.118,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47883, dn = +|- 0.0514028, dEa = +|- 0.279732 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C + [CH]DC(F)C(F)(F)F <=> CDC(F)C(F)(F)F + [CH3] +barrier = 28.420150 kJ/mol +T1 = 0.015753104 + +Atom XYZ coordinates (angstrom) +F 1.817054 -0.388814 -1.218592 +F 1.592886 -1.147294 0.789015 +F 1.800526 0.972834 0.44557 +F -0.555316 0.981248 -0.974171 +C 1.260234 -0.151349 -0.029198 +C -3.635528 -0.074749 -0.136795 +C -0.237988 -0.024589 -0.147775 +C -1.127766 -0.768203 0.452047 +H -3.49625 0.736878 -0.842449 +H -4.10149 -0.951535 -0.573474 +H -4.09233 0.238042 0.79597 +H -2.469008 -0.435021 0.168314 +H -0.93044 -1.586608 1.124078 +""", +) + +entry( + index = 3509, + label = "C2H3F2-4 + H2O2 <=> C2H4F2-4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000160184,'cm^3/(mol*s)'), n=4.59008, Ea=(2.34657,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47857, dn = +|- 0.0513793, dEa = +|- 0.279604 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[C](F)F + OO <=> CC(F)F + [O]O +barrier = 24.412779 kJ/mol +T1 = 0.019132526 + +Atom XYZ coordinates (angstrom) +F -1.17039 0.48085 1.389908 +F -0.759776 1.223665 -0.609515 +O 1.708518 -0.396198 0.046644 +O 1.744963 -0.458966 -1.337175 +C -1.419389 -1.04395 -0.416143 +C -0.724497 0.136467 0.176705 +H -2.465979 -0.791342 -0.596171 +H -0.935671 -1.30584 -1.354082 +H -1.356642 -1.882103 0.272837 +H 0.576848 -0.162985 0.269587 +H 1.992143 0.438986 -1.59539 +""", +) + +entry( + index = 3510, + label = "CH2Cl-2 + C3H8 <=> CH3Cl-2 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(7.06941e-05,'cm^3/(mol*s)'), n=4.73759, Ea=(31.4058,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97498, dn = +|- 0.0894115, dEa = +|- 0.486574 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCC + [CH2]Cl <=> C[CH]C + CCl +barrier = 53.051159 kJ/mol +T1 = 0.014372911 + +Atom XYZ coordinates (angstrom) +Cl -1.159246 -0.378557 -1.690702 +C 2.324802 -0.801686 -0.51451 +C 1.42749 1.472684 0.202291 +C -0.977996 -0.837647 -0.008092 +C 1.5217 -0.005332 0.481614 +H 2.30254 -1.8685 -0.292705 +H 1.935761 -0.654864 -1.523809 +H 3.371695 -0.483263 -0.516042 +H 2.414562 1.942703 0.248704 +H 1.027431 1.647829 -0.798145 +H 0.783789 1.980555 0.920276 +H 0.297256 -0.446777 0.34971 +H -1.660981 -0.283823 0.624215 +H -1.017101 -1.913513 0.110188 +H 1.756837 -0.239637 1.51934 +""", +) + +entry( + index = 3511, + label = "CF3-2 + C2H3F3-3 <=> CHF3-2 + C2H2F3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.04321e-07,'cm^3/(mol*s)'), n=5.89119, Ea=(19.3701,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.32013, dn = +|- 0.157657, dEa = +|- 0.857962 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + F[C](F)F <=> FC(F)F + FC[C](F)F +barrier = 46.143246 kJ/mol +T1 = 0.015886183 + +Atom XYZ coordinates (angstrom) +F 1.712405 1.525621 0.260267 +F 1.074712 -1.921105 0.292782 +F 1.400926 -0.690901 -1.475519 +F -2.358893 -0.56109 -0.123665 +F -1.489053 0.826819 1.290062 +F -1.591843 1.340797 -0.808969 +C 1.963281 0.22936 0.632733 +C 1.070828 -0.669002 -0.180922 +C -1.423265 0.355999 0.052796 +H 3.011639 -0.00525 0.436224 +H 1.734063 0.104516 1.690325 +H -0.16136 -0.200991 -0.108329 +""", +) + +entry( + index = 3512, + label = "CF3-2 + C2H2F4-2 <=> CHF3-2 + C2HF4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.87492e-07,'cm^3/(mol*s)'), n=5.86419, Ea=(22.1206,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.36151, dn = +|- 0.159284, dEa = +|- 0.866816 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)F + F[C](F)F <=> FC(F)F + F[C](F)C(F)F +barrier = 48.446195 kJ/mol +T1 = 0.015868326999999998 + +Atom XYZ coordinates (angstrom) +F 0.789177 -0.910077 1.728353 +F 0.868521 -1.921714 -0.198768 +F 1.773829 0.36861 -1.369142 +F 1.69216 1.385459 0.56444 +F -1.78328 1.48086 0.380063 +F -2.567375 -0.523273 0.16399 +F -1.713882 0.494266 -1.543167 +C 0.773343 -0.738878 0.407066 +C 1.881365 0.197222 -0.038602 +C -1.635141 0.32315 -0.236626 +H -0.398502 -0.195415 0.075098 +H 2.876401 -0.183064 0.203465 +""", +) + +entry( + index = 3513, + label = "C2H3Cl2-3 + C2H6O2-2 <=> C2H4Cl2-3 + C2H5O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000263218,'cm^3/(mol*s)'), n=4.0057, Ea=(-0.533621,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14023, dn = +|- 0.0172407, dEa = +|- 0.093823 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCOO + [CH2]C(Cl)Cl <=> CCO[O] + CC(Cl)Cl +barrier = 17.565989 kJ/mol +T1 = 0.01884711 + +Atom XYZ coordinates (angstrom) +Cl 0.964481 1.370056 0.32905 +Cl 3.073628 -0.657185 0.324658 +O -1.742377 -0.524642 0.7478 +O -1.650542 -1.261035 -0.415926 +C -2.412145 0.70433 0.463812 +C -3.874662 0.487476 0.14469 +C 0.769349 -0.952077 -1.038521 +C 1.298698 -0.374307 0.223685 +H -2.273797 1.286776 1.374658 +H -1.886066 1.203595 -0.352085 +H -4.360941 1.445351 -0.038127 +H -3.979534 -0.129574 -0.745477 +H -4.377036 -0.005571 0.975482 +H -0.598736 -1.051276 -0.802123 +H 1.004301 -2.003075 -1.174167 +H 0.88526 -0.334354 -1.922135 +H 0.868452 -0.829448 1.108807 +""", +) + +entry( + index = 3514, + label = "C2ClF4 + HO2-4 <=> C2HClF4 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(17.0529,'cm^3/(mol*s)'), n=3.34111, Ea=(0.656234,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0498, dn = +|- 0.0063845, dEa = +|- 0.0347442 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Cl + [O]O <=> FC(F)C(F)(F)Cl + [O][O] +barrier = 6.835520 kJ/mol +T1 = 0.022478271 + +Atom XYZ coordinates (angstrom) +Cl 2.347875 -0.33724 0.250285 +F 0.460425 1.05375 1.239988 +F 0.834378 1.375838 -0.867502 +F -0.539473 -1.427823 0.687956 +F -0.153241 -1.112417 -1.426678 +O -2.600029 0.872081 -0.053772 +O -2.968432 0.504429 1.117396 +C 0.777587 0.457791 0.094951 +C -0.313762 -0.544482 -0.25333 +H -1.70132 0.384604 -0.259121 +""", +) + +entry( + index = 3515, + label = "CH2F-2 + HO2-4 <=> CH3F-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0658182,'cm^3/(mol*s)'), n=3.68782, Ea=(-7.02167,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.17855, dn = +|- 0.0215832, dEa = +|- 0.117455 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]F + [O]O <=> CF + [O][O] +barrier = 0.004732 kJ/mol +T1 = 0.028033758 + +Atom XYZ coordinates (angstrom) +F 2.065093 -0.310039 -0.000944 +O -1.356401 -0.804059 0.013868 +O -2.037591 0.277369 0.00805 +C 0.934038 0.397432 -0.004074 +H 0.743808 0.903056 -0.945665 +H 0.748773 0.919349 0.929588 +H -0.314572 -0.499779 0.007366 +""", +) + +entry( + index = 3516, + label = "C2H2F + H2-2 <=> C2H3F + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(131.167,'cm^3/(mol*s)'), n=3.22972, Ea=(17.9059,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.26603, dn = +|- 0.0309911, dEa = +|- 0.168652 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + CD[C]F <=> CDCF + [H] +barrier = 37.046890 kJ/mol +T1 = 0.020496056999999998 + +Atom XYZ coordinates (angstrom) +F -1.138917 -0.070595 0.002224 +C 1.163985 -0.541952 0.000361 +C 0.135147 0.270005 0.004155 +H 1.025732 -1.616053 -0.004786 +H 2.160847 -0.130555 0.002454 +H 0.301094 1.675575 0.010797 +H 0.414802 2.5453 0.0162 +""", +) + +entry( + index = 3517, + label = "O + C2H4Cl2 <=> HO-2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(489.897,'cm^3/(mol*s)'), n=3.50009, Ea=(12.0958,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.80446, dn = +|- 0.0775486, dEa = +|- 0.422017 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + ClCCCl <=> [OH] + Cl[CH]CCl +barrier = 28.467040 kJ/mol +T1 = 0.020335061 + +Atom XYZ coordinates (angstrom) +Cl 0.602753 0.78707 1.75111 +Cl -1.08436 -0.36889 -2.026021 +O 1.940519 -1.217187 -0.687772 +C 0.345151 0.557864 0.040068 +C -0.971987 -0.090774 -0.26769 +H 1.223923 -0.273947 -0.342737 +H 0.564492 1.463045 -0.517353 +H -1.802496 0.549742 0.022149 +H -1.055425 -1.05192 0.231264 +""", +) + +entry( + index = 3518, + label = "HO + C3H7Cl <=> H2O + C3H6Cl", + degeneracy = 6.0, + kinetics = Arrhenius(A=(483.128,'cm^3/(mol*s)'), n=3.017, Ea=(-5.66545,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05576, dn = +|- 0.00712927, dEa = +|- 0.0387972 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CC(C)Cl <=> O + [CH2]C(C)Cl +barrier = 2.011373 kJ/mol +T1 = 0.019411763999999998 + +Atom XYZ coordinates (angstrom) +Cl 0.726633 -1.070314 -0.525033 +O -2.462485 -0.081006 -0.885916 +C 0.366014 0.393395 0.484447 +C -0.981409 0.220102 1.131474 +C 0.461837 1.633975 -0.37836 +H 1.147934 0.38787 1.242905 +H -1.802253 0.143517 0.271367 +H -1.074008 -0.692259 1.714074 +H -1.270905 1.098456 1.707931 +H 0.301318 2.516098 0.243531 +H 1.440968 1.709177 -0.845525 +H -0.304793 1.610703 -1.151788 +H -1.833868 -0.721445 -1.260163 +""", +) + +entry( + index = 3519, + label = "CH2Cl-2 + CH4O <=> CH3Cl-2 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.568e-06,'cm^3/(mol*s)'), n=5.03036, Ea=(27.3516,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.43771, dn = +|- 0.117067, dEa = +|- 0.637076 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + [CH2]Cl <=> [CH2]O + CCl +barrier = 54.781469 kJ/mol +T1 = 0.017548756000000002 + +Atom XYZ coordinates (angstrom) +Cl 0.716339 -0.186084 1.522542 +O -2.5218 -0.133125 0.75626 +C 0.503039 -0.470433 -0.196988 +C -1.953158 0.572108 -0.287982 +H -0.755081 0.101464 -0.461103 +H 0.41542 -1.527888 -0.410858 +H 1.242551 0.066425 -0.777193 +H -2.504982 0.383864 -1.203862 +H -1.797076 1.634199 -0.090952 +H -2.008065 0.020257 1.555905 +""", +) + +entry( + index = 3520, + label = "C2Cl3 + HO-4 <=> C2HCl3 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.280379,'cm^3/(mol*s)'), n=3.75994, Ea=(6.80171,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.34664, dn = +|- 0.0390999, dEa = +|- 0.21278 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + Cl[C]DC(Cl)Cl <=> [O] + ClCDC(Cl)Cl +barrier = 25.073095 kJ/mol +T1 = 0.020018857 + +Atom XYZ coordinates (angstrom) +Cl -0.575049 1.972635 -0.065923 +Cl -1.998855 -0.565491 -0.016731 +Cl 2.225019 0.189515 -0.092733 +O 0.536551 -2.880068 -0.035483 +C -0.493699 0.25486 -0.051051 +C 0.654584 -0.394022 -0.063522 +H 0.59123 -1.736516 -0.048408 +""", +) + +entry( + index = 3521, + label = "O + ClHO <=> HO-2 + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3409e+08,'cm^3/(mol*s)'), n=1.5809, Ea=(2.96803,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01859, dn = +|- 0.00242037, dEa = +|- 0.0131715 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + OCl <=> [O]Cl + [OH] +barrier = 5.568481 kJ/mol +T1 = 0.041599307 + +Atom XYZ coordinates (angstrom) +Cl 0.016938 -0.196007 0.094305 +O 1.685025 0.120645 -0.136441 +O -1.850056 0.24132 -0.081649 +H 1.898282 0.822552 0.492069 +""", +) + +entry( + index = 3522, + label = "H + ClH-2 <=> H2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.62067e+09,'cm^3/(mol*s)'), n=1.182, Ea=(5.99885,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.11334, dn = +|- 0.0141052, dEa = +|- 0.0767598 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + Cl <=> [H][H] + [Cl] +barrier = 14.674555 kJ/mol +T1 = 0.018529744 + +Atom XYZ coordinates (angstrom) +Cl 1.286308 -0.020935 -0.0 +H -0.108908 0.001283 -0.0 +H -1.1773 0.019653 -0.0 +""", +) + +entry( + index = 3523, + label = "C2HF4-3 + C2H4F2-2 <=> C2H2F4-3 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.76063e-07,'cm^3/(mol*s)'), n=5.33428, Ea=(24.5875,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.61037, dn = +|- 0.126058, dEa = +|- 0.686004 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + F[CH]C(F)(F)F <=> FCC(F)(F)F + C[C](F)F +barrier = 48.394691 kJ/mol +T1 = 0.015431176999999999 + +Atom XYZ coordinates (angstrom) +F -0.683311 1.817464 -0.060552 +F -1.482215 -1.530237 -0.69193 +F -1.214863 -0.581098 1.234475 +F -2.828476 0.033534 -0.050091 +F 2.694409 0.104942 -0.947399 +F 1.781622 -1.577443 0.086251 +C -0.628393 0.621808 -0.687761 +C -1.554221 -0.368377 -0.041975 +C 2.125672 0.405778 1.333389 +C 1.82705 -0.237199 0.020875 +H 0.634607 0.13778 -0.411168 +H -0.753578 0.709937 -1.762817 +H 3.10739 0.079701 1.680533 +H 2.119871 1.48703 1.217518 +H 1.367042 0.115248 2.056475 +""", +) + +entry( + index = 3524, + label = "C4H5-8 + C2H4Cl2-2 <=> C4H6-8 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.0147751,'cm^3/(mol*s)'), n=4.39607, Ea=(9.49444,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.43811, dn = +|- 0.047734, dEa = +|- 0.259767 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCCDC + CC(Cl)Cl <=> CDCCDC + [CH2]C(Cl)Cl +barrier = 23.476030 kJ/mol +T1 = 0.014473512 + +Atom XYZ coordinates (angstrom) +Cl 2.88171 -0.887973 1.069447 +Cl 1.61666 1.668617 0.409606 +C 1.329634 -0.069513 0.689458 +C -4.0489 0.329797 0.005861 +C -2.677231 -0.156323 -0.141054 +C 0.670629 -0.691688 -0.493529 +C -5.044649 -0.424959 0.458556 +C -1.67336 0.572336 -0.592928 +H 0.728954 -0.139256 1.588628 +H -4.230489 1.36081 -0.276451 +H -2.502626 -1.191358 0.146022 +H 1.218622 -0.544159 -1.41923 +H 0.401016 -1.730712 -0.322619 +H -4.879676 -1.456512 0.744532 +H -6.048766 -0.037791 0.556719 +H -1.663922 1.606945 -0.911719 +H -0.43932 -0.065898 -0.630258 +""", +) + +entry( + index = 3525, + label = "C2H3F2-4 + CH2O <=> C2H4F2-4 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.45367e-05,'cm^3/(mol*s)'), n=5.22185, Ea=(11.0383,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.18244, dn = +|- 0.102535, dEa = +|- 0.55799 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[C](F)F + CDO <=> CC(F)F + [CH]DO +barrier = 34.181445 kJ/mol +T1 = 0.019779195 + +Atom XYZ coordinates (angstrom) +F 1.491252 0.214896 -1.169469 +F 0.973328 -1.120465 0.469125 +O -2.550912 1.027683 -0.350056 +C 0.933848 1.207631 0.908551 +C 0.735938 0.093784 -0.061619 +C -1.894055 0.170733 -0.835437 +H 0.27503 1.066282 1.762265 +H 1.97187 1.222322 1.248274 +H 0.696397 2.153804 0.42769 +H -0.631936 0.070366 -0.513762 +H -2.292156 -0.56842 -1.562789 +""", +) + +entry( + index = 3526, + label = "CHF2-2 + C2H5F-2 <=> CH2F2-2 + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.01445e-05,'cm^3/(mol*s)'), n=4.64096, Ea=(26.3431,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.13721, dn = +|- 0.150211, dEa = +|- 0.817443 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + F[CH]F <=> FCF + C[CH]F +barrier = 52.276529 kJ/mol +T1 = 0.016246478999999998 + +Atom XYZ coordinates (angstrom) +F 1.27901 -1.723132 -0.270407 +F -1.379802 1.490967 -1.313274 +F -1.272142 0.866522 0.776686 +C 1.981115 0.49577 0.21333 +C 1.267246 -0.430007 -0.716943 +C -1.269745 0.433884 -0.493478 +H 3.039582 0.237435 0.28388 +H 1.542105 0.444984 1.20906 +H 1.895363 1.518778 -0.152313 +H -0.010617 -0.079994 -0.704915 +H 1.572744 -0.403209 -1.76166 +H -2.070407 -0.284088 -0.665839 +""", +) + +entry( + index = 3527, + label = "H + CH2F2 <=> H2 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(23.2459,'cm^3/(mol*s)'), n=3.74928, Ea=(20.9121,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.50589, dn = +|- 0.120691, dEa = +|- 0.656798 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + [H] <=> [H][H] + F[CH]F +barrier = 44.916563 kJ/mol +T1 = 0.018460908 + +Atom XYZ coordinates (angstrom) +F 1.090546 -0.43989 -0.101637 +F -1.089783 -0.44162 -0.101445 +C -7.3e-05 0.181598 0.349383 +H -0.001211 1.399091 -0.201581 +H -3.5e-05 0.257528 1.435859 +H -0.002572 2.220168 -0.672528 +""", +) + +entry( + index = 3528, + label = "F + CHF3 <=> FH + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.54434e+11,'cm^3/(mol*s)'), n=-0.104538, Ea=(-0.408037,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02475, dn = +|- 0.00321201, dEa = +|- 0.0174796 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + [F] <=> F + F[C](F)F +barrier = 0.901941 kJ/mol +T1 = 0.0214048 + +Atom XYZ coordinates (angstrom) +F -0.846125 1.086418 -0.508085 +F -0.848591 -1.071674 -0.536984 +F -0.487956 -0.018386 1.312467 +F 2.257613 0.002943 -0.495254 +C -0.296095 -0.000368 0.004948 +H 0.811181 0.001067 -0.211937 +""", +) + +entry( + index = 3529, + label = "C3H7-2 + C2H5Cl <=> C3H8-2 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000129444,'cm^3/(mol*s)'), n=4.71236, Ea=(26.4548,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.91457, dn = +|- 0.0853302, dEa = +|- 0.464364 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]C + CCCl <=> CCC + C[CH]Cl +barrier = 46.224021 kJ/mol +T1 = 0.013615707 + +Atom XYZ coordinates (angstrom) +Cl -1.872064 -1.070062 0.28478 +C 1.540672 -0.207856 0.433421 +C 2.350254 1.027025 0.732683 +C 1.718046 -0.792289 -0.943796 +C -1.195938 1.311759 -0.879807 +C -1.045759 0.490496 0.365013 +H 1.569849 -0.954749 1.225665 +H 0.264489 0.162946 0.47826 +H 2.120424 1.434561 1.717004 +H 3.423094 0.811228 0.706293 +H 2.161197 1.804192 -0.011123 +H 2.718484 -1.219194 -1.065772 +H 0.99238 -1.582486 -1.138398 +H 1.600472 -0.022897 -1.709712 +H -0.608744 2.226736 -0.785908 +H -0.841336 0.758121 -1.748893 +H -2.237457 1.5884 -1.056619 +H -1.308805 0.983468 1.294986 +""", +) + +entry( + index = 3530, + label = "CF3-2 + HO-4 <=> CHF3-2 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00227849,'cm^3/(mol*s)'), n=4.51125, Ea=(15.5942,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.2024, dn = +|- 0.103731, dEa = +|- 0.564501 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + F[C](F)F <=> FC(F)F + [O] +barrier = 42.562922 kJ/mol +T1 = 0.020589324 + +Atom XYZ coordinates (angstrom) +F -0.885532 1.070372 -0.419007 +F -0.177641 0.037925 1.343176 +F -0.859202 -1.09053 -0.371405 +O 2.079985 -0.027867 -0.873001 +C -0.256661 0.007143 0.030755 +H 0.983672 0.002932 -0.459643 +""", +) + +entry( + index = 3531, + label = "C2H4F-3 + CH2O <=> C2H5F-3 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.2114e-05,'cm^3/(mol*s)'), n=5.24402, Ea=(15.1443,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.42087, dn = +|- 0.116156, dEa = +|- 0.632119 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]F + CDO <=> CCF + [CH]DO +barrier = 40.446412 kJ/mol +T1 = 0.020542887 + +Atom XYZ coordinates (angstrom) +F -1.52027 -0.876217 -0.562615 +O 2.374176 0.176682 -0.161581 +C -0.862614 1.341309 -0.012322 +C -0.937585 -0.091045 0.392524 +C 1.694253 -0.734836 0.171936 +H -0.365167 1.91715 0.767233 +H -0.289826 1.446708 -0.934067 +H -1.859798 1.758641 -0.173363 +H -1.358851 -0.322463 1.368625 +H 0.416857 -0.531339 0.410455 +H 2.079757 -1.773266 0.272932 +""", +) + +entry( + index = 3532, + label = "C3H7-4 + CHCl3-2 <=> C3H8-4 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00610329,'cm^3/(mol*s)'), n=3.98005, Ea=(2.15267,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.20631, dn = +|- 0.0246428, dEa = +|- 0.134105 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CC + ClC(Cl)Cl <=> CCC + Cl[C](Cl)Cl +barrier = 16.496773 kJ/mol +T1 = 0.014489561000000001 + +Atom XYZ coordinates (angstrom) +Cl -0.787309 1.5324 1.086992 +Cl -0.360484 0.624739 -1.647283 +Cl -1.931222 -0.990455 0.194963 +C 2.69915 -0.610999 -0.0996 +C 1.591108 -1.167661 0.749715 +C 2.969252 0.862872 0.181351 +C -0.616645 0.152604 0.021901 +H 3.610391 -1.192207 0.083139 +H 2.458606 -0.753763 -1.15544 +H 0.476574 -0.484839 0.39733 +H 1.291062 -2.192652 0.548488 +H 1.654977 -0.9445 1.813075 +H 2.091241 1.469525 -0.044372 +H 3.218137 1.016343 1.232273 +H 3.797172 1.234733 -0.420429 +""", +) + +entry( + index = 3533, + label = "CH2Cl-2 + CH2O <=> CH3Cl-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.2147e-05,'cm^3/(mol*s)'), n=5.18532, Ea=(16.5255,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.48828, dn = +|- 0.119765, dEa = +|- 0.651757 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]Cl + CDO <=> CCl + [CH]DO +barrier = 44.247930 kJ/mol +T1 = 0.022373944 + +Atom XYZ coordinates (angstrom) +Cl -1.830509 -0.19353 -0.031344 +O 2.772848 -0.064137 0.114761 +C -0.601125 1.043885 -0.058084 +C 1.665699 -0.478225 0.099108 +H -0.629036 1.666452 0.827087 +H -0.56928 1.567475 -1.005048 +H 0.644853 0.300395 0.022867 +H 1.409263 -1.558559 0.148018 +""", +) + +entry( + index = 3534, + label = "CH2Cl-2 + C2H4O-2 <=> CH3Cl-2 + C2H3O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000971215,'cm^3/(mol*s)'), n=4.49139, Ea=(34.6311,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.7913, dn = +|- 0.0765872, dEa = +|- 0.416785 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + [CH2]Cl <=> [CH2]CDO + CCl +barrier = 55.745103 kJ/mol +T1 = 0.017498601000000003 + +Atom XYZ coordinates (angstrom) +Cl 1.801751 -0.304897 -0.338276 +O -2.25051 -1.049358 0.412297 +C 1.045661 0.878825 0.681907 +C -1.436823 1.041538 -0.323629 +C -1.765674 -0.383832 -0.472431 +H -0.235369 1.015008 0.167052 +H 1.499823 1.8572 0.592693 +H 0.880885 0.513737 1.687601 +H -1.315184 1.599515 -1.246514 +H -1.999763 1.549243 0.452916 +H -1.502414 -0.8479 -1.438966 +""", +) + +entry( + index = 3535, + label = "CFO-2 + CH3F <=> CHFO-2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.8842e-06,'cm^3/(mol*s)'), n=5.75355, Ea=(33.6929,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.30361, dn = +|- 0.157001, dEa = +|- 0.854394 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + OD[C]F <=> ODCF + [CH2]F +barrier = 60.917932 kJ/mol +T1 = 0.020555821999999998 + +Atom XYZ coordinates (angstrom) +F -1.71666 0.803255 -0.933506 +F 1.278299 -1.359746 -1.062304 +O -2.35472 -0.448616 0.776434 +C 1.128803 -0.653919 0.079709 +C -1.508049 -0.044511 0.079842 +H -0.174352 -0.326165 0.13851 +H 1.304626 -1.270046 0.957396 +H 1.668553 0.288401 0.040708 +""", +) + +entry( + index = 3536, + label = "C2H2F-2 + H2-2 <=> C2H3F-2 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(7236.67,'cm^3/(mol*s)'), n=2.72465, Ea=(18.133,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05369, dn = +|- 0.00687124, dEa = +|- 0.037393 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + [CH]DCF <=> CDCF + [H] +barrier = 32.255063 kJ/mol +T1 = 0.020187801000000002 + +Atom XYZ coordinates (angstrom) +F -1.240124 0.037933 0.021094 +C 1.078996 -0.028899 -0.00332 +C -0.078868 -0.633411 0.007018 +H 1.011233 1.423798 -0.001119 +H 2.066899 -0.456443 -0.015651 +H -0.231557 -1.707162 0.005725 +H 0.9559 2.27289 -0.013743 +""", +) + +entry( + index = 3537, + label = "C4H3-3 + C2H5Cl-2 <=> C4H4-3 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00392318,'cm^3/(mol*s)'), n=4.32764, Ea=(5.25298,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.35643, dn = +|- 0.0400523, dEa = +|- 0.217963 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCC#C + CCCl <=> C#CCDC + [CH2]CCl +barrier = 19.531697 kJ/mol +T1 = 0.015560421000000001 + +Atom XYZ coordinates (angstrom) +Cl -2.702489 0.460109 -0.503437 +C -1.049262 -0.2293 -0.746516 +C 2.715639 -0.447388 -0.173942 +C -0.563011 -0.894072 0.50123 +C 1.963298 -1.532504 -0.116334 +C 2.234359 0.870697 0.101918 +C 1.852751 1.985341 0.32649 +H -0.413192 0.603153 -1.031637 +H -1.135729 -0.924051 -1.576284 +H 3.76724 -0.523784 -0.442394 +H -0.425302 -0.212415 1.335883 +H -1.121575 -1.783267 0.780945 +H 2.265278 -2.552532 -0.311794 +H 0.607121 -1.299239 0.236701 +H 1.51001 2.971468 0.528059 +""", +) + +entry( + index = 3538, + label = "C3H5O-5 + CHCl3-2 <=> C3H6O-5 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000471369,'cm^3/(mol*s)'), n=4.63205, Ea=(15.2895,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.73356, dn = +|- 0.0722824, dEa = +|- 0.393358 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]C(C)DO + ClC(Cl)Cl <=> CC(C)DO + Cl[C](Cl)Cl +barrier = 32.476668 kJ/mol +T1 = 0.016355865 + +Atom XYZ coordinates (angstrom) +Cl -0.93751 -2.428593 0.878618 +Cl -0.230562 0.211231 1.883991 +Cl -2.873548 -0.256943 0.759663 +O 1.600728 1.374772 -1.192375 +C -0.471894 2.551538 -1.053191 +C -1.184691 -0.708967 0.753876 +C 0.394446 1.341304 -1.299305 +C -0.305501 0.083886 -1.641773 +H -0.97869 2.836522 -1.976671 +H -1.245397 2.314089 -0.319542 +H 0.137991 3.376505 -0.698075 +H -0.730631 -0.345124 -0.442546 +H -1.257435 0.173683 -2.157115 +H 0.33795 -0.724078 -1.971661 +""", +) + +entry( + index = 3539, + label = "HO + C2H3Cl3 <=> H2O + C2H2Cl3", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1222.13,'cm^3/(mol*s)'), n=3.21351, Ea=(-3.64843,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05064, dn = +|- 0.00649047, dEa = +|- 0.0353209 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CC(Cl)(Cl)Cl <=> O + [CH2]C(Cl)(Cl)Cl +barrier = 4.925324 kJ/mol +T1 = 0.018720629 + +Atom XYZ coordinates (angstrom) +Cl 0.396103 1.092217 1.183491 +Cl -0.291027 -1.625083 0.444886 +Cl -1.848068 0.594125 -0.581812 +O 2.961187 -0.464496 -0.464072 +C 0.689775 0.155262 -1.330805 +C -0.20995 0.049918 -0.13316 +H 1.795461 -0.195765 -1.010126 +H 0.780062 1.182325 -1.672575 +H 0.385431 -0.5298 -2.117787 +H 2.782533 -0.127031 0.429494 +""", +) + +entry( + index = 3540, + label = "C2H3Cl2-3 + C2H5Cl <=> C2H4Cl2-3 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5.23875e-05,'cm^3/(mol*s)'), n=4.53849, Ea=(16.085,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.67246, dn = +|- 0.0675684, dEa = +|- 0.367705 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCCl + [CH2]C(Cl)Cl <=> C[CH]Cl + CC(Cl)Cl +barrier = 34.815468 kJ/mol +T1 = 0.014085977 + +Atom XYZ coordinates (angstrom) +Cl -2.634687 -1.673077 -0.759365 +Cl -1.589401 0.865727 -1.781972 +Cl 2.220029 0.037284 -1.646024 +C -0.551064 -0.363192 0.380795 +C -1.16364 -0.6492 -0.940445 +C 2.55722 1.133607 0.840487 +C 1.61788 1.040751 -0.323818 +H 0.545994 0.41062 0.073444 +H -1.160038 0.255648 1.031863 +H -0.128592 -1.239551 0.863511 +H -0.502459 -1.194017 -1.603589 +H 3.493925 1.613043 0.5517 +H 2.097811 1.724388 1.63355 +H 2.78803 0.142495 1.229429 +H 1.253299 1.978986 -0.728311 +""", +) + +entry( + index = 3541, + label = "CH3O-3 + C2H5Cl <=> CH4O-3 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0100737,'cm^3/(mol*s)'), n=4.16347, Ea=(6.50514,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.35946, dn = +|- 0.0403451, dEa = +|- 0.219556 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[O] + CCCl <=> CO + C[CH]Cl +barrier = 22.837222 kJ/mol +T1 = 0.021195556 + +Atom XYZ coordinates (angstrom) +Cl -0.696782 -0.218021 -1.31701 +O 1.934902 -0.283011 0.857324 +C -0.397698 1.871268 0.420211 +C 2.519628 -0.380142 -0.403244 +C -0.418847 0.374009 0.32015 +H 0.36367 2.286985 -0.23847 +H -1.363953 2.293829 0.14106 +H -0.16827 2.161485 1.44513 +H 2.421428 0.54366 -0.983309 +H 3.58789 -0.549804 -0.226689 +H 2.13232 -1.222024 -0.983488 +H -1.100672 -0.13361 0.996022 +H 0.697587 -0.029797 0.644945 +""", +) + +entry( + index = 3542, + label = "C2H3 + C2H5Cl <=> C2H4 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0103479,'cm^3/(mol*s)'), n=4.40465, Ea=(6.09529,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.43298, dn = +|- 0.0472645, dEa = +|- 0.257212 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + CCCl <=> CDC + C[CH]Cl +barrier = 22.120605 kJ/mol +T1 = 0.016256198 + +Atom XYZ coordinates (angstrom) +Cl -1.758342 -0.917604 -0.502747 +C -0.875604 1.62544 -0.019197 +C -0.774783 0.202996 0.450416 +C 2.525189 0.558975 -0.351371 +C 1.764378 -0.465925 -0.049338 +H -0.2359 2.258472 0.597461 +H -0.556349 1.707206 -1.057774 +H -1.89969 1.994019 0.055568 +H 0.417473 -0.177093 0.272863 +H -0.989357 0.046037 1.502776 +H 3.568404 0.436234 -0.630884 +H 2.146397 1.575453 -0.338538 +H 2.009383 -1.520096 -0.028873 +""", +) + +entry( + index = 3543, + label = "C2H4Cl-4 + CHCl3-2 <=> C2H5Cl-4 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00152767,'cm^3/(mol*s)'), n=4.41464, Ea=(8.41247,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.50729, dn = +|- 0.0539074, dEa = +|- 0.293362 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]Cl + ClC(Cl)Cl <=> CCCl + Cl[C](Cl)Cl +barrier = 25.036030 kJ/mol +T1 = 0.01504303 + +Atom XYZ coordinates (angstrom) +Cl 1.162306 0.270226 1.743896 +Cl 1.859895 0.922253 -1.00756 +Cl 1.334412 -1.842605 -0.251383 +Cl -2.378341 -0.863347 0.71361 +C -1.800437 1.698327 -0.068312 +C 0.991082 -0.160722 0.05979 +C -1.601561 0.250309 -0.393809 +H -1.475794 1.910007 0.950003 +H -1.220235 2.311428 -0.758437 +H -2.852778 1.976078 -0.156947 +H -0.299445 0.011961 -0.218915 +H -1.786997 -0.05357 -1.419113 +""", +) + +entry( + index = 3544, + label = "H + C2H2F4 <=> H2 + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(74.9616,'cm^3/(mol*s)'), n=3.61814, Ea=(21.6598,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.34766, dn = +|- 0.112122, dEa = +|- 0.610165 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + [H] <=> [H][H] + F[CH]C(F)(F)F +barrier = 43.977520 kJ/mol +T1 = 0.016074309 + +Atom XYZ coordinates (angstrom) +F -1.871442 -0.539131 -0.036791 +F 0.823426 -1.257395 0.327444 +F 1.29027 0.843073 0.527033 +F 0.490258 0.074338 -1.329802 +C -0.955867 0.279524 0.506952 +C 0.426659 -0.025202 -0.004238 +H -1.21461 1.518887 0.059214 +H -1.020752 0.316969 1.590941 +H -1.419795 2.354116 -0.316204 +""", +) + +entry( + index = 3545, + label = "H + C2H5F-2 <=> H2 + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2215.41,'cm^3/(mol*s)'), n=3.20028, Ea=(17.5766,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.81892, dn = +|- 0.0785972, dEa = +|- 0.427723 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [H] <=> [H][H] + C[CH]F +barrier = 35.889250 kJ/mol +T1 = 0.016983001 + +Atom XYZ coordinates (angstrom) +F -1.127834 -0.567665 -0.109705 +C 1.221124 -0.233019 -0.116306 +C -0.123643 0.244825 0.323181 +H 1.444698 -1.209472 0.317265 +H 1.985064 0.474293 0.203902 +H 1.255022 -0.318532 -1.201639 +H -0.336324 1.403139 -0.269483 +H -0.250134 0.453127 1.383864 +H -0.490764 2.210143 -0.76923 +""", +) + +entry( + index = 3546, + label = "CHF2-2 + C2H3F3-2 <=> CH2F2-2 + C2H2F3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.97565e-07,'cm^3/(mol*s)'), n=5.67447, Ea=(30.7105,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.27204, dn = +|- 0.15574, dEa = +|- 0.84753 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + F[CH]F <=> FCF + F[CH]C(F)F +barrier = 56.724271 kJ/mol +T1 = 0.01611595 + +Atom XYZ coordinates (angstrom) +F -0.544137 2.126078 0.053076 +F -1.767629 -1.13092 0.474221 +F -1.400733 -0.098703 -1.421504 +F 2.548671 0.625191 -0.410174 +F 2.064943 -1.147638 0.765446 +C -0.617546 0.871127 0.554454 +C -1.709257 0.088146 -0.112694 +C 1.659003 -0.354787 -0.231919 +H 0.518973 0.226062 0.180545 +H -0.660748 0.869603 1.64063 +H -2.694219 0.557407 -0.065163 +H 1.487605 -0.916864 -1.149051 +""", +) + +entry( + index = 3547, + label = "C2H5O-7 + C2HF5 <=> C2H6O-7 + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.13812e-09,'cm^3/(mol*s)'), n=6.06668, Ea=(10.3544,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.113, dn = +|- 0.0982866, dEa = +|- 0.534872 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC[O] + FC(F)C(F)(F)F <=> CCO + F[C](F)C(F)(F)F +barrier = 36.151164 kJ/mol +T1 = 0.018282884 + +Atom XYZ coordinates (angstrom) +F -0.082106 -0.315769 -1.51771 +F 0.836223 -1.857662 -0.285757 +F 0.800764 1.594865 0.224146 +F 1.704982 0.068366 1.457878 +F 2.421718 0.400004 -0.550219 +O -1.776307 -0.628371 1.040349 +C -2.665133 1.329255 -0.118201 +C -2.739731 -0.16392 0.131476 +C 0.319284 -0.63569 -0.288099 +C 1.340368 0.381801 0.223075 +H -1.731476 1.589864 -0.616638 +H -3.489478 1.65079 -0.754478 +H -2.715934 1.871648 0.824533 +H -3.692932 -0.431684 0.60361 +H -2.692335 -0.732601 -0.803589 +H -0.712438 -0.618238 0.495394 +""", +) + +entry( + index = 3548, + label = "H + C2H3F3-3 <=> H2 + C2H2F3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(39.5135,'cm^3/(mol*s)'), n=3.61619, Ea=(19.2164,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.32337, dn = +|- 0.110756, dEa = +|- 0.60273 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [H] <=> [H][H] + FC[C](F)F +barrier = 41.733881 kJ/mol +T1 = 0.016515305 + +Atom XYZ coordinates (angstrom) +F -1.781936 0.199759 0.327057 +F 0.707093 1.214016 -0.490366 +F 1.52535 -0.796261 -0.307972 +C -0.807844 -0.585086 -0.232551 +C 0.534662 0.018042 0.076325 +H -0.955357 -0.621827 -1.314665 +H -0.858403 -1.587255 0.191283 +H 0.666382 0.198626 1.393966 +H 0.824598 0.332081 2.318164 +""", +) + +entry( + index = 3549, + label = "C2H3Cl2-3 + C2H6 <=> C2H4Cl2-3 + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.000283268,'cm^3/(mol*s)'), n=4.5905, Ea=(30.9878,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.7776, dn = +|- 0.0755784, dEa = +|- 0.411295 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC + [CH2]C(Cl)Cl <=> C[CH2] + CC(Cl)Cl +barrier = 50.728488 kJ/mol +T1 = 0.013694706999999999 + +Atom XYZ coordinates (angstrom) +Cl -0.185053 1.419202 0.719108 +Cl -2.469849 -0.364693 0.309722 +C 0.090421 -1.073375 -0.281295 +C -0.709617 -0.288584 0.690785 +C 3.182605 0.218242 -0.621003 +C 2.64262 -0.688247 0.452736 +H 1.385755 -0.938454 0.118547 +H 0.076107 -0.669373 -1.288925 +H -0.109016 -2.139792 -0.236959 +H -0.619852 -0.652354 1.707412 +H 3.159907 -0.267006 -1.596853 +H 4.219195 0.498143 -0.418433 +H 2.598647 1.136256 -0.684379 +H 3.093829 -1.675911 0.503206 +H 2.543411 -0.231719 1.43458 +""", +) + +entry( + index = 3550, + label = "CH3O-3 + CHCl3-2 <=> CH4O-3 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(30.9078,'cm^3/(mol*s)'), n=2.735, Ea=(-1.19818,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0792, dn = +|- 0.0100133, dEa = +|- 0.0544918 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[O] + ClC(Cl)Cl <=> CO + Cl[C](Cl)Cl +barrier = 9.958951 kJ/mol +T1 = 0.021990514 + +Atom XYZ coordinates (angstrom) +Cl -1.340623 -1.506922 0.198553 +Cl 0.048332 0.585286 1.670892 +Cl -0.83589 1.071429 -1.055136 +O 1.945368 -0.810042 -0.742486 +C 2.656659 0.384487 -0.762476 +C -0.287763 -0.118663 0.104617 +H 3.656742 0.125587 -1.131579 +H 2.225804 1.115102 -1.453514 +H 2.772335 0.817866 0.235425 +H 0.782674 -0.544938 -0.318579 +""", +) + +entry( + index = 3551, + label = "C4H3-3 + C2H5Cl <=> C4H4-3 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.059815,'cm^3/(mol*s)'), n=4.00003, Ea=(-0.759504,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14737, dn = +|- 0.0180613, dEa = +|- 0.0982892 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCC#C + CCCl <=> C#CCDC + C[CH]Cl +barrier = 9.595233 kJ/mol +T1 = 0.016296005 + +Atom XYZ coordinates (angstrom) +Cl 2.485564 -0.370064 -1.159249 +C 1.236777 -0.884142 1.224889 +C -2.179273 -0.902547 -0.638035 +C 1.086535 -0.178444 -0.091655 +C -1.063605 -1.30624 -1.218511 +C -2.215808 0.062066 0.417599 +C -2.268224 0.869124 1.303444 +H 1.426672 -1.945467 1.071452 +H 0.314993 -0.769397 1.796424 +H 2.063486 -0.465478 1.800032 +H -3.141078 -1.301053 -0.954671 +H 0.835635 0.875589 -0.025559 +H -0.947845 -2.024025 -2.019062 +H 0.135402 -0.702664 -0.697947 +H -2.316385 1.586032 2.086934 +""", +) + +entry( + index = 3552, + label = "C2H + ClH-2 <=> C2H2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1366.12,'cm^3/(mol*s)'), n=3.18683, Ea=(-1.3252,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.07654, dn = +|- 0.00968918, dEa = +|- 0.0527282 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + [C]#C <=> [Cl] + C#C +barrier = 6.206481 kJ/mol +T1 = 0.027368629 + +Atom XYZ coordinates (angstrom) +Cl -1.494576 0.353468 0.012486 +C 2.516336 -0.159508 -0.026601 +C 1.322351 -0.261714 -0.081831 +H 3.563676 0.01955 0.044859 +H -0.14702 0.333001 0.038275 +""", +) + +entry( + index = 3553, + label = "C2H4Cl-3 + C3H6O-4 <=> C2H5Cl-3 + C3H5O-4", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.0127863,'cm^3/(mol*s)'), n=3.52719, Ea=(27.4034,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.70923, dn = +|- 0.0704255, dEa = +|- 0.383253 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(C)DO + [CH2]CCl <=> [CH2]C(C)DO + CCCl +barrier = 46.132349 kJ/mol +T1 = 0.015414384 + +Atom XYZ coordinates (angstrom) +Cl 3.612674 0.046814 1.576013 +O -0.483965 -2.069008 -1.928493 +C 1.145599 0.538359 0.545418 +C 2.521243 1.109698 0.621459 +C 1.413476 -1.16739 -3.051469 +C 0.685368 -1.758193 -1.866781 +C 1.4547 -1.873337 -0.608075 +H 1.306726 -0.718777 -0.055636 +H 0.683185 0.294846 1.495723 +H 0.481567 1.034735 -0.157229 +H 2.973857 1.215709 -0.36075 +H 2.540499 2.077955 1.120265 +H 2.229039 -1.827087 -3.351123 +H 1.861381 -0.210733 -2.77407 +H 0.726019 -1.029835 -3.880527 +H 2.532834 -1.954136 -0.705654 +H 1.017347 -2.550284 0.117239 +""", +) + +entry( + index = 3554, + label = "C2H2F3-4 + CH3F <=> C2H3F3-4 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(4.7871e-07,'cm^3/(mol*s)'), n=5.70411, Ea=(32.2331,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.22635, dn = +|- 0.153892, dEa = +|- 0.837476 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + FC[C](F)F <=> FCC(F)F + [CH2]F +barrier = 58.969629 kJ/mol +T1 = 0.016083331 + +Atom XYZ coordinates (angstrom) +F -0.757972 1.331435 0.69167 +F -0.228143 -1.441838 0.670336 +F -1.349283 -1.569018 -1.196097 +F 0.366203 1.32211 -2.468893 +C -1.550175 0.417906 0.038189 +C -0.68491 -0.738871 -0.376118 +C 1.207375 0.452366 -1.846488 +H -2.3375 0.081552 0.716891 +H -1.977883 0.881704 -0.84943 +H 0.380781 -0.248869 -1.051705 +H 1.650891 -0.240831 -2.555279 +H 1.899469 0.974726 -1.19287 +""", +) + +entry( + index = 3555, + label = "CHCl2-2 + HO2-4 <=> CH2Cl2-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(25.9818,'cm^3/(mol*s)'), n=3.16397, Ea=(-4.64546,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.12863, dn = +|- 0.0158972, dEa = +|- 0.0865121 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]O + Cl[CH]Cl <=> [O][O] + ClCCl +barrier = 2.379473 kJ/mol +T1 = 0.02701928 + +Atom XYZ coordinates (angstrom) +Cl -1.574635 0.688124 -0.669307 +Cl 0.042274 -1.513377 0.374355 +O 1.900554 1.143576 -0.335587 +O 2.535255 0.101171 -0.717908 +C -0.412232 0.130407 0.465043 +H 0.956483 0.821484 0.019366 +H -0.563483 0.498611 1.471577 +""", +) + +entry( + index = 3556, + label = "CH3-2 + C2H2F4-2 <=> CH4-2 + C2HF4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0038518,'cm^3/(mol*s)'), n=4.89301, Ea=(25.5407,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.20994, dn = +|- 0.10418, dEa = +|- 0.566943 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)F + [CH3] <=> C + F[C](F)C(F)F +barrier = 49.367825 kJ/mol +T1 = 0.015823227 + +Atom XYZ coordinates (angstrom) +F 0.104377 -1.787027 0.105518 +F -0.706631 -0.491249 1.660359 +F 1.38688 0.347708 -1.009279 +F 0.572632 1.647687 0.549133 +C -0.230748 -0.527365 0.409789 +C 0.96729 0.388571 0.271533 +C -2.189803 0.245225 -1.254836 +H -1.193935 -0.131194 -0.422508 +H 1.79336 0.114265 0.931965 +H -2.376466 -0.637909 -1.854755 +H -1.761183 1.077316 -1.801719 +H -2.999237 0.516167 -0.586963 +""", +) + +entry( + index = 3557, + label = "HO + C3H2F4-3 <=> H2O + C3HF4-3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0787727,'cm^3/(mol*s)'), n=4.33618, Ea=(11.8049,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.79279, dn = +|- 0.0766964, dEa = +|- 0.417379 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDC(F)C(F)(F)F + [OH] <=> O + [CH]DC(F)C(F)(F)F +barrier = 31.456490 kJ/mol +T1 = 0.018062158999999998 + +Atom XYZ coordinates (angstrom) +F -1.389776 -0.776202 -0.877114 +F -1.209373 -0.560643 1.253866 +F 0.437492 -1.353935 0.110563 +F -1.03439 1.818001 -0.07993 +O 3.106724 -0.266817 -0.198958 +C -0.548806 -0.453967 0.102952 +C -0.021606 0.944925 -0.082459 +C 1.223667 1.318356 -0.229971 +H 1.564263 2.335343 -0.356951 +H 2.631263 -1.085948 0.008564 +H 2.181287 0.501782 -0.240037 +""", +) + +entry( + index = 3558, + label = "ClO-2 + CH2O <=> ClHO-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.79788,'cm^3/(mol*s)'), n=3.71684, Ea=(9.2409,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.34416, dn = +|- 0.0388586, dEa = +|- 0.211467 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]Cl + CDO <=> OCl + [CH]DO +barrier = 22.531403 kJ/mol +T1 = 0.034317662 + +Atom XYZ coordinates (angstrom) +Cl -1.354859 -0.468059 -0.169213 +O -0.781269 1.052323 -0.124388 +O 1.789184 -0.755764 0.038315 +C 1.671761 0.416595 0.036116 +H 0.544077 0.902781 -0.036215 +H 2.521418 1.124867 0.095733 +""", +) + +entry( + index = 3559, + label = "CF3-2 + CH4 <=> CHF3-2 + CH3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(5.78389e-05,'cm^3/(mol*s)'), n=5.46824, Ea=(30.1798,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.7703, dn = +|- 0.13387, dEa = +|- 0.728518 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + C <=> FC(F)F + [CH3] +barrier = 55.410768 kJ/mol +T1 = 0.01655686 + +Atom XYZ coordinates (angstrom) +F 0.735567 -0.952371 0.880801 +F 1.009572 -0.228006 -1.137945 +F 0.792211 1.174184 0.493586 +C -2.253478 0.00421 -0.339299 +C 0.402642 -0.001147 0.019001 +H -0.941188 0.001557 -0.16231 +H -2.602293 -0.84967 0.230362 +H -2.380442 -0.097126 -1.411169 +H -2.57483 0.96116 0.05598 +""", +) + +entry( + index = 3560, + label = "C2H3F2-5 + H2O2 <=> C2H4F2-5 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.85869e-06,'cm^3/(mol*s)'), n=4.80806, Ea=(6.20431,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.7771, dn = +|- 0.0755416, dEa = +|- 0.411095 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]CF + OO <=> FCCF + [O]O +barrier = 32.629634 kJ/mol +T1 = 0.019297182 + +Atom XYZ coordinates (angstrom) +F 0.308734 1.433124 -0.498263 +F 1.711339 -1.033321 -0.426323 +O -1.517667 -1.031435 -0.581314 +O -2.16359 0.078995 -0.068323 +C 0.671902 0.791615 0.674544 +C 0.744591 -0.68117 0.447631 +H 1.645353 1.186466 0.976438 +H -0.076976 1.009792 1.435071 +H 0.777157 -1.297657 1.344155 +H -0.449122 -0.976578 -0.122574 +H -1.94438 0.774304 -0.705151 +""", +) + +entry( + index = 3561, + label = "C2H3 + CH2Cl2 <=> C2H4 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.135882,'cm^3/(mol*s)'), n=4.12657, Ea=(0.84391,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.23006, dn = +|- 0.0272043, dEa = +|- 0.148045 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + ClCCl <=> CDC + Cl[CH]Cl +barrier = 14.398575 kJ/mol +T1 = 0.017151469 + +Atom XYZ coordinates (angstrom) +Cl 1.756907 -0.279936 -0.524391 +Cl 0.098055 1.819893 0.683115 +C 0.532673 0.122853 0.66009 +C -2.746008 -0.277325 -0.121034 +C -1.728075 -1.099273 -0.06082 +H -0.514165 -0.513862 0.336133 +H 0.843575 -0.19577 1.647328 +H -2.64444 0.773173 0.128913 +H -3.732542 -0.615073 -0.428695 +H -1.663162 -2.157117 -0.279434 +""", +) + +entry( + index = 3562, + label = "C2H4Cl-4 + CH2O <=> C2H5Cl-4 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.59934e-05,'cm^3/(mol*s)'), n=5.18071, Ea=(16.0042,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.38241, dn = +|- 0.114053, dEa = +|- 0.62067 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDO + C[CH]Cl <=> [CH]DO + CCCl +barrier = 41.317212 kJ/mol +T1 = 0.020346047 + +Atom XYZ coordinates (angstrom) +Cl 1.683365 -0.640765 -0.218071 +O -2.680225 -0.184546 -0.64363 +C 0.183901 1.646181 -0.021902 +C 0.431436 0.300448 0.581322 +C -1.880257 -0.909628 -0.157994 +H -0.077795 1.552354 -1.075799 +H 1.065086 2.287053 0.055878 +H -0.644711 2.13067 0.495518 +H -0.759941 -0.423914 0.305696 +H 0.564252 0.254184 1.65662 +H -2.021158 -2.009763 -0.080319 +""", +) + +entry( + index = 3563, + label = "CH3O-3 + CH3F <=> CH4O-3 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(9.99079e-05,'cm^3/(mol*s)'), n=4.91737, Ea=(17.3996,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.15602, dn = +|- 0.100934, dEa = +|- 0.549281 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + C[O] <=> CO + [CH2]F +barrier = 41.875661 kJ/mol +T1 = 0.021716867 + +Atom XYZ coordinates (angstrom) +F 1.447481 0.749538 0.248692 +O -1.192829 -0.792058 0.052098 +C -1.551693 0.55899 0.057334 +C 1.284637 -0.598236 0.211446 +H -1.261048 1.065599 0.98134 +H -2.644074 0.576405 -0.010811 +H -1.149241 1.1022 -0.801659 +H 1.728595 -1.01632 -0.688672 +H 1.613594 -1.053024 1.142608 +H 0.051243 -0.82257 0.129502 +""", +) + +entry( + index = 3564, + label = "C2H3F2-6 + CH3F <=> C2H4F2-6 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000947034,'cm^3/(mol*s)'), n=4.03299, Ea=(28.5192,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.33343, dn = +|- 0.111324, dEa = +|- 0.605819 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + [CH2]C(F)F <=> CC(F)F + [CH2]F +barrier = 52.294309 kJ/mol +T1 = 0.015778221999999998 + +Atom XYZ coordinates (angstrom) +F 1.298618 0.86845 -0.457469 +F 1.172108 0.28235 1.647356 +F -2.800939 -0.952279 -0.170974 +C 0.517271 -1.276137 0.03615 +C 1.458355 -0.182926 0.397252 +C -1.866168 -0.04924 0.228119 +H -0.703491 -0.647728 0.134432 +H 0.591682 -1.599428 -0.996039 +H 0.483977 -2.085717 0.756605 +H 2.516991 -0.452344 0.385628 +H -1.822438 0.797536 -0.451251 +H -1.989562 0.206869 1.27696 +""", +) + +entry( + index = 3565, + label = "CHF2-2 + H2O2 <=> CH2F2-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5.47153e-05,'cm^3/(mol*s)'), n=4.87748, Ea=(5.95873,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.79002, dn = +|- 0.0764933, dEa = +|- 0.416274 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]F + OO <=> FCF + [O]O +barrier = 30.995143 kJ/mol +T1 = 0.020338914 + +Atom XYZ coordinates (angstrom) +F -1.637112 0.804255 -0.300743 +F -0.849375 -1.219793 -0.135656 +O 1.615163 0.51059 -0.343162 +O 2.171932 -0.644957 0.177709 +C -0.747224 0.030601 0.311951 +H -0.826447 0.084027 1.398283 +H 0.503008 0.432071 -0.032799 +H 2.143439 -1.262032 -0.565622 +""", +) + +entry( + index = 3566, + label = "CH3-2 + C2HClF4-2 <=> CH4-2 + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00283631,'cm^3/(mol*s)'), n=4.73559, Ea=(19.335,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.96881, dn = +|- 0.0890008, dEa = +|- 0.484339 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + FC(F)C(F)(F)Cl <=> C + F[C](F)C(F)(F)Cl +barrier = 41.927605 kJ/mol +T1 = 0.015566828999999999 + +Atom XYZ coordinates (angstrom) +Cl -2.083013 -0.202984 -0.087927 +F 0.466223 -0.974265 1.446205 +F 0.600356 -1.598271 -0.637738 +F -0.344652 1.506703 0.642081 +F -0.21219 0.887236 -1.425501 +C 0.618485 -0.555663 0.190939 +C -0.448468 0.460937 -0.182076 +C 3.035663 0.597161 0.002709 +H 1.800693 0.040285 0.088842 +H 2.834898 1.598001 -0.362078 +H 3.406973 0.552842 1.019785 +H 3.556475 -0.043585 -0.699072 +""", +) + +entry( + index = 3567, + label = "CF3-2 + CH4O-2 <=> CHF3-2 + CH3O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.30905e-05,'cm^3/(mol*s)'), n=4.55531, Ea=(15.1242,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.60244, dn = +|- 0.125658, dEa = +|- 0.683827 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + F[C](F)F <=> FC(F)F + C[O] +barrier = 43.402385 kJ/mol +T1 = 0.019766882 + +Atom XYZ coordinates (angstrom) +F -0.868334 0.175983 -1.256781 +F -1.754984 -0.788664 0.464153 +F -0.853946 1.167613 0.662707 +O 1.513453 -0.822704 0.457368 +C 2.267877 0.225635 -0.08965 +C -0.779224 -0.002993 0.050953 +H 2.090571 0.347826 -1.160768 +H 2.102275 1.170845 0.432668 +H 3.312887 -0.062722 0.051616 +H 0.373756 -0.544515 0.322083 +""", +) + +entry( + index = 3568, + label = "CF3-2 + CHCl3-2 <=> CHF3-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0149032,'cm^3/(mol*s)'), n=4.58358, Ea=(5.71623,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.50147, dn = +|- 0.0533984, dEa = +|- 0.290592 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + ClC(Cl)Cl <=> FC(F)F + Cl[C](Cl)Cl +barrier = 20.412196 kJ/mol +T1 = 0.015852754 + +Atom XYZ coordinates (angstrom) +Cl 1.286356 1.702047 0.328757 +Cl 1.544103 -0.562965 -1.483557 +Cl 1.228944 -1.014436 1.376301 +F -2.145768 -1.253795 -0.630391 +F -2.126786 0.826302 -1.226369 +F -2.351839 0.30073 0.860784 +C 0.884423 0.030845 0.020458 +C -1.786884 -0.032313 -0.284048 +H -0.375437 0.001057 -0.123157 +""", +) + +entry( + index = 3569, + label = "CH2F-2 + CH2O <=> CH3F-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.9626e-05,'cm^3/(mol*s)'), n=5.29008, Ea=(15.8172,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.5636, dn = +|- 0.123683, dEa = +|- 0.673077 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDO + [CH2]F <=> CF + [CH]DO +barrier = 42.925198 kJ/mol +T1 = 0.022436417 + +Atom XYZ coordinates (angstrom) +F 2.057198 -0.340843 -0.075274 +O -2.235171 0.187196 0.250572 +C 1.247905 0.750123 -0.038448 +C -1.222881 -0.42241 0.184398 +H 1.268235 1.292323 -0.979151 +H 1.412501 1.337256 0.860161 +H -0.083055 0.183783 0.079856 +H -1.174177 -1.532264 0.206405 +""", +) + +entry( + index = 3570, + label = "O + C2H2F4-2 <=> HO-2 + C2HF4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.35833,'cm^3/(mol*s)'), n=4.04531, Ea=(24.1646,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.55651, dn = +|- 0.123319, dEa = +|- 0.671098 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)F + [O] <=> [OH] + F[C](F)C(F)F +barrier = 45.418144 kJ/mol +T1 = 0.019707506 + +Atom XYZ coordinates (angstrom) +F -0.816676 -1.245077 -0.905558 +F -0.871271 0.904921 -1.218485 +F 1.391262 -0.965745 0.675251 +F 1.336362 1.197542 0.360417 +O -1.613603 0.226805 1.787813 +C -0.455625 -0.06638 -0.417304 +C 1.047934 0.005593 -0.18505 +H -1.04177 0.087759 0.743162 +H 1.603264 -0.116171 -1.118578 +""", +) + +entry( + index = 3571, + label = "H + C2H4F2-2 <=> H2 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(166.618,'cm^3/(mol*s)'), n=3.43624, Ea=(16.6734,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.0656, dn = +|- 0.0953061, dEa = +|- 0.518652 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [H] <=> [H][H] + C[C](F)F +barrier = 37.529662 kJ/mol +T1 = 0.016849301 + +Atom XYZ coordinates (angstrom) +F 1.384048 -0.185675 0.37666 +F 0.641972 0.33563 -1.598945 +C -0.957647 -0.232251 0.047978 +C 0.361918 0.377259 -0.28682 +H -1.13755 -0.141799 1.11658 +H -1.74386 0.28434 -0.49742 +H -0.952422 -1.286659 -0.23238 +H 0.383442 1.659792 0.043399 +H 0.436346 2.588856 0.268556 +""", +) + +entry( + index = 3572, + label = "CHF2-2 + CH3F <=> CH2F2-2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.13549e-06,'cm^3/(mol*s)'), n=5.82576, Ea=(34.8898,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.68218, dn = +|- 0.171254, dEa = +|- 0.93196 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[CH]F <=> FCF + [CH2]F +barrier = 63.494492 kJ/mol +T1 = 0.017150697 + +Atom XYZ coordinates (angstrom) +F -1.85421 -0.915362 -0.605805 +F -1.51251 0.852817 0.629192 +F 2.201393 -0.168938 -0.78752 +C -1.084994 0.169928 -0.44189 +C 1.391868 -0.716578 0.157206 +H 0.15538 -0.27861 -0.141706 +H -1.087655 0.794059 -1.334685 +H 1.625265 -0.331008 1.145813 +H 1.365788 -1.79945 0.072312 +""", +) + +entry( + index = 3573, + label = "CF3-2 + C2H5F <=> CHF3-2 + C2H4F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(8.46285e-06,'cm^3/(mol*s)'), n=5.35708, Ea=(24.4253,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.5242, dn = +|- 0.121648, dEa = +|- 0.662004 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + F[C](F)F <=> FC(F)F + [CH2]CF +barrier = 46.791342 kJ/mol +T1 = 0.015709158 + +Atom XYZ coordinates (angstrom) +F -1.982601 1.024009 0.07125 +F 1.069952 0.693303 -1.158536 +F 2.245193 -0.663038 0.048644 +F 1.362288 1.093934 0.947453 +C -1.131286 -1.139342 0.403012 +C -2.030063 -0.271548 -0.418633 +C 1.192993 0.145164 0.04314 +H 0.047735 -0.567399 0.301551 +H -0.988574 -2.141261 0.008293 +H -1.343675 -1.123569 1.468301 +H -1.717962 -0.241212 -1.463503 +H -3.070698 -0.602441 -0.369717 +""", +) + +entry( + index = 3574, + label = "Cl + H2O2 <=> ClH + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.05782e+07,'cm^3/(mol*s)'), n=2.01634, Ea=(2.01749,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01446, dn = +|- 0.00188678, dEa = +|- 0.0102678 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + OO <=> Cl + [O]O +barrier = 8.025737 kJ/mol +T1 = 0.043851105999999994 + +Atom XYZ coordinates (angstrom) +Cl -1.39999 -0.158717 0.14914 +O 1.030009 0.695819 -0.020881 +O 1.818115 -0.406687 -0.155651 +H 0.082517 0.407543 -0.391911 +H 2.189682 -0.518005 0.73172 +""", +) + +entry( + index = 3575, + label = "O + C2HClF4-2 <=> HO-2 + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.02161,'cm^3/(mol*s)'), n=4.0678, Ea=(19.85,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.55662, dn = +|- 0.123324, dEa = +|- 0.671127 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + FC(F)C(F)(F)Cl <=> [OH] + F[C](F)C(F)(F)Cl +barrier = 41.299053 kJ/mol +T1 = 0.019248328000000002 + +Atom XYZ coordinates (angstrom) +Cl -2.155015 0.608339 -1.100606 +F 0.840499 0.082637 -1.532764 +F 0.541862 1.658249 -0.065627 +F -0.985966 -1.473683 -0.223548 +F -1.284354 0.096249 1.234079 +O 1.93079 -0.84083 1.304297 +C 0.434545 0.365026 -0.308633 +C -0.978412 -0.156838 -0.035541 +H 1.2111 -0.269022 0.531129 +""", +) + +entry( + index = 3576, + label = "C2HCl2 + HO-4 <=> C2H2Cl2 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.32453,'cm^3/(mol*s)'), n=3.38301, Ea=(2.51511,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.12234, dn = +|- 0.0151638, dEa = +|- 0.0825209 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + [CH]DC(Cl)Cl <=> [O] + CDC(Cl)Cl +barrier = 17.583830 kJ/mol +T1 = 0.019490295 + +Atom XYZ coordinates (angstrom) +Cl -0.264468 1.438973 -0.061439 +Cl 1.990728 -0.386782 0.112521 +O -2.98519 -0.773589 0.133759 +C -0.528118 -1.216449 0.181882 +C 0.270965 -0.184076 0.089168 +H -1.881288 -0.952698 0.153908 +H -0.312728 -2.268392 0.279382 +""", +) + +entry( + index = 3577, + label = "CHCl2-2 + C2H4O-2 <=> CH2Cl2-2 + C2H3O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000696936,'cm^3/(mol*s)'), n=4.73905, Ea=(36.4362,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.93427, dn = +|- 0.0866753, dEa = +|- 0.471683 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + Cl[CH]Cl <=> [CH2]CDO + ClCCl +barrier = 55.899773 kJ/mol +T1 = 0.017245801 + +Atom XYZ coordinates (angstrom) +Cl 1.900452 1.2344 0.807708 +Cl 0.944967 -0.715101 -1.162642 +O -2.961906 -1.040033 0.323005 +C 0.833418 -0.088455 0.453004 +C -1.64772 0.904038 0.568685 +C -2.434848 -0.078695 -0.186558 +H -0.428224 0.402653 0.536714 +H 0.896816 -0.873583 1.195925 +H -1.494649 1.869752 0.097292 +H -1.85278 0.929982 1.633899 +H -2.494902 0.07853 -1.277471 +""", +) + +entry( + index = 3578, + label = "C3H7-2 + CH2Cl2 <=> C3H8-2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000169356,'cm^3/(mol*s)'), n=4.54947, Ea=(15.913,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.70295, dn = +|- 0.0699419, dEa = +|- 0.380621 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]C + ClCCl <=> CCC + Cl[CH]Cl +barrier = 35.003020 kJ/mol +T1 = 0.014340633 + +Atom XYZ coordinates (angstrom) +Cl 1.862916 -0.703827 -0.254045 +Cl 0.757873 1.766441 0.880157 +C -1.692203 -0.516702 -0.083557 +C -2.637121 0.292455 0.765405 +C -1.508451 -0.037962 -1.499291 +C 0.743511 0.016459 0.879856 +H -1.829089 -1.593762 0.004048 +H -0.50236 -0.341692 0.461711 +H -2.350407 1.345475 0.764102 +H -3.657029 0.230513 0.373041 +H -2.658252 -0.055682 1.797758 +H -0.770006 -0.633527 -2.034338 +H -2.451551 -0.092985 -2.052076 +H -1.181961 1.003975 -1.512833 +H 0.908594 -0.367162 1.878729 +""", +) + +entry( + index = 3579, + label = "CF3-2 + CH2O <=> CHF3-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00438831,'cm^3/(mol*s)'), n=4.82853, Ea=(9.29726,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.75638, dn = +|- 0.0740006, dEa = +|- 0.402709 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDO + F[C](F)F <=> FC(F)F + [CH]DO +barrier = 27.855686 kJ/mol +T1 = 0.020637875 + +Atom XYZ coordinates (angstrom) +F -1.481402 -0.014408 -1.081946 +F -0.965229 1.262617 0.586187 +F -1.344101 -0.842165 0.912142 +O 2.681009 0.255015 -0.080265 +C -0.835933 0.050955 0.074308 +C 1.841481 -0.529201 -0.348292 +H 0.619707 -0.264165 -0.156305 +H 2.03968 -1.532397 -0.776612 +""", +) + +entry( + index = 3580, + label = "C2H4F-4 + CH2O <=> C2H5F-4 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000187585,'cm^3/(mol*s)'), n=4.79739, Ea=(9.99912,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.87977, dn = +|- 0.0829205, dEa = +|- 0.45125 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CF + CDO <=> CCF + [CH]DO +barrier = 33.573711 kJ/mol +T1 = 0.021318359 + +Atom XYZ coordinates (angstrom) +F -1.225234 1.053642 -0.352512 +O 2.141556 0.207397 0.441915 +C -1.321003 0.015481 0.57185 +C -0.829232 -1.241912 -0.057137 +C 1.598231 -0.15566 -0.545806 +H -2.369886 -0.041956 0.875681 +H -0.715957 0.2928 1.436643 +H -1.320177 -1.527289 -0.982012 +H -0.63719 -2.062513 0.626047 +H 0.508265 -0.822025 -0.457174 +H 1.939927 0.112595 -1.567405 +""", +) + +entry( + index = 3581, + label = "CCl3 + C2H6O2-2 <=> CHCl3 + C2H5O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.64574e-05,'cm^3/(mol*s)'), n=4.75283, Ea=(5.76779,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.63389, dn = +|- 0.0645029, dEa = +|- 0.351022 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCOO + Cl[C](Cl)Cl <=> CCO[O] + ClC(Cl)Cl +barrier = 27.628739 kJ/mol +T1 = 0.020301898 + +Atom XYZ coordinates (angstrom) +Cl 0.153769 0.8272 1.340812 +Cl 1.18601 1.277196 -1.342171 +Cl 2.278677 -0.864396 0.296333 +O -1.978272 -0.994683 -0.074425 +O -0.941223 -1.390932 -0.866512 +C -2.670785 0.084371 -0.70567 +C -3.796401 0.479292 0.219492 +C 0.896371 0.125191 -0.065671 +H -3.029246 -0.258398 -1.677136 +H -1.964626 0.90477 -0.85896 +H -4.469952 -0.359822 0.384283 +H -4.362597 1.298085 -0.221232 +H -3.402765 0.806027 1.180691 +H -0.057344 -0.728938 -0.541398 +""", +) + +entry( + index = 3582, + label = "CHF2-2 + C2H4F2-2 <=> CH2F2-2 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2838e-07,'cm^3/(mol*s)'), n=5.7973, Ea=(26.221,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.3953, dn = +|- 0.160598, dEa = +|- 0.873969 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + F[CH]F <=> FCF + C[C](F)F +barrier = 53.332085 kJ/mol +T1 = 0.016230572 + +Atom XYZ coordinates (angstrom) +F -1.301649 -1.054965 0.786647 +F -1.703955 -0.589157 -1.300532 +F 1.620578 0.998148 -1.589121 +F 2.022905 0.529855 0.504504 +C -1.536812 1.2284 0.207257 +C -1.099281 -0.143406 -0.18327 +C 1.547167 0.043958 -0.650604 +H -1.323656 1.919907 -0.604922 +H -0.995002 1.540051 1.097523 +H -2.608339 1.226822 0.413771 +H 0.214098 -0.158311 -0.439572 +H 2.082015 -0.854618 -0.95438 +""", +) + +entry( + index = 3583, + label = "C2H2Cl-3 + HO-4 <=> C2H3Cl-3 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(13.1899,'cm^3/(mol*s)'), n=3.32004, Ea=(1.12059,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.09494, dn = +|- 0.0119158, dEa = +|- 0.0648453 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + [CH]DCCl <=> [O] + CDCCl +barrier = 16.329171 kJ/mol +T1 = 0.020389845 + +Atom XYZ coordinates (angstrom) +Cl 1.844091 0.059535 0.145345 +O -3.022503 0.416979 0.188383 +C -0.748383 -0.585336 0.121139 +C 0.135468 0.374964 0.170681 +H -2.021841 -0.117647 0.152885 +H -0.671504 -1.660091 0.060705 +H -0.114697 1.423939 0.230231 +""", +) + +entry( + index = 3584, + label = "C2H3F2-6 + C2H2F4 <=> C2H4F2-6 + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.99495e-05,'cm^3/(mol*s)'), n=4.83711, Ea=(23.8165,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.02609, dn = +|- 0.0927683, dEa = +|- 0.504841 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + [CH2]C(F)F <=> CC(F)F + F[CH]C(F)(F)F +barrier = 44.444629 kJ/mol +T1 = 0.015064744 + +Atom XYZ coordinates (angstrom) +F 1.189509 1.87861 -0.891794 +F 2.874414 -0.342124 -0.512111 +F 1.186922 -1.398784 0.329223 +F 1.950413 0.379567 1.293045 +F -2.077825 -1.080662 -0.451263 +F -2.585274 0.915591 -1.185106 +C 0.725974 0.62892 -0.691669 +C 1.702703 -0.187379 0.109733 +C -2.480267 0.159681 -0.057277 +C -1.464414 0.752364 0.856171 +H -0.342964 0.710013 0.087102 +H 0.411828 0.148335 -1.614522 +H -3.481293 0.06154 0.368744 +H -1.228905 0.138899 1.719162 +H -1.616862 1.803396 1.074412 +""", +) + +entry( + index = 3585, + label = "C4H5-8 + CH2Cl2 <=> C4H6-8 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.387483,'cm^3/(mol*s)'), n=3.98123, Ea=(-0.0630978,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15033, dn = +|- 0.0183992, dEa = +|- 0.100128 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCCDC + ClCCl <=> CDCCDC + Cl[CH]Cl +barrier = 10.310032 kJ/mol +T1 = 0.016239345 + +Atom XYZ coordinates (angstrom) +Cl -2.78766 0.768394 0.340488 +Cl -1.41475 -1.783278 -0.131525 +C -1.698446 -0.143913 -0.6824 +C 3.058133 0.538209 -0.002071 +C 1.657015 0.162921 -0.198873 +C 4.002772 -0.33496 0.330951 +C 0.702821 1.011828 -0.5265 +H -0.588585 0.444985 -0.647498 +H -2.059086 -0.152093 -1.703536 +H 3.305412 1.58468 -0.140773 +H 1.413857 -0.887756 -0.056279 +H 3.770373 -1.382994 0.473852 +H 5.030213 -0.030441 0.470754 +H 0.747893 2.079324 -0.702468 +""", +) + +entry( + index = 3586, + label = "CH3-2 + C2H4F2-2 <=> CH4-2 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.8539e-05,'cm^3/(mol*s)'), n=5.213, Ea=(23.7746,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.67843, dn = +|- 0.12944, dEa = +|- 0.704406 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [CH3] <=> C + C[C](F)F +barrier = 50.856728 kJ/mol +T1 = 0.016134551 + +Atom XYZ coordinates (angstrom) +F 0.547185 -1.238734 0.728922 +F 0.514231 0.868347 1.279822 +C 1.454275 0.304107 -0.811847 +C 0.433022 0.013587 0.238233 +C -2.11555 0.189803 -0.587037 +H 1.341303 -0.400625 -1.632642 +H 1.31443 1.316686 -1.183655 +H 2.455071 0.208844 -0.387576 +H -0.793268 0.112482 -0.213294 +H -2.090818 0.464313 -1.635682 +H -2.52251 0.954424 0.064413 +H -2.495387 -0.807146 -0.396078 +""", +) + +entry( + index = 3587, + label = "CCl3 + C2H4O <=> CHCl3 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00189449,'cm^3/(mol*s)'), n=4.78454, Ea=(13.8071,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.81333, dn = +|- 0.0781926, dEa = +|- 0.425521 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + Cl[C](Cl)Cl <=> C[C]DO + ClC(Cl)Cl +barrier = 31.057244 kJ/mol +T1 = 0.018829492 + +Atom XYZ coordinates (angstrom) +Cl 0.92992 0.821559 1.476201 +Cl 1.292338 0.933989 -1.411029 +Cl 1.351847 -1.632478 -0.03465 +O -2.448114 -1.327151 -0.487722 +C -2.656401 1.080983 -0.437433 +C 0.729075 -0.008933 -0.049887 +C -1.967438 -0.251475 -0.39457 +H -2.226255 1.664992 -1.25158 +H -3.728194 0.955696 -0.572794 +H -2.43989 1.610657 0.490735 +H -0.688566 -0.136475 -0.232837 +""", +) + +entry( + index = 3588, + label = "HO + CH2F2 <=> H2O + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1906.99,'cm^3/(mol*s)'), n=3.17229, Ea=(3.8144,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06427, dn = +|- 0.00818355, dEa = +|- 0.0445346 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + [OH] <=> O + F[CH]F +barrier = 12.945787 kJ/mol +T1 = 0.023257091 + +Atom XYZ coordinates (angstrom) +F 0.398292 0.879751 -0.537167 +F 1.159577 -1.068926 0.080593 +O -2.076627 -0.796071 0.148295 +C 0.33125 -0.071844 0.407816 +H -0.770908 -0.489431 0.422801 +H 0.588907 0.340146 1.384077 +H -2.135677 -0.385158 -0.729899 +""", +) + +entry( + index = 3589, + label = "C2H3Cl2-3 + C3H4 <=> C2H4Cl2-3 + C3H3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(5.2939e-05,'cm^3/(mol*s)'), n=4.70174, Ea=(21.5497,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.92619, dn = +|- 0.0861256, dEa = +|- 0.468692 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCDC + [CH2]C(Cl)Cl <=> [CH]DCDC + CC(Cl)Cl +barrier = 42.757059 kJ/mol +T1 = 0.015844216 + +Atom XYZ coordinates (angstrom) +Cl -0.303322 1.189759 0.928257 +Cl -2.046837 0.287594 -1.246805 +C -0.347051 -1.364907 0.063485 +C -0.467927 0.034777 -0.415199 +C 3.321853 0.710952 -0.464562 +C 2.834354 -0.361217 0.113621 +C 2.259486 -1.369703 0.648556 +H 0.988458 -1.43872 0.441312 +H -0.414463 -2.105995 -0.726234 +H -0.91662 -1.59625 0.956807 +H 0.293737 0.29547 -1.142389 +H 3.710462 0.672543 -1.473341 +H 3.365053 1.651899 0.067678 +H 2.650518 -2.171762 1.253647 +""", +) + +entry( + index = 3590, + label = "CH2Cl-2 + ClHO <=> CH3Cl-2 + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000106895,'cm^3/(mol*s)'), n=4.50669, Ea=(10.2734,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.67231, dn = +|- 0.0675567, dEa = +|- 0.367641 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OCl + [CH2]Cl <=> [O]Cl + CCl +barrier = 35.766425 kJ/mol +T1 = 0.023058058 + +Atom XYZ coordinates (angstrom) +Cl -1.69323 -0.615783 -0.039532 +Cl 1.733398 -0.504787 0.107181 +O 1.272395 1.066123 0.155946 +C -1.240482 1.049154 0.054639 +H 0.051844 1.059496 0.117959 +H -1.566326 1.511506 0.978705 +H -1.476303 1.590785 -0.853485 +""", +) + +entry( + index = 3591, + label = "HO + C2H5F-2 <=> H2O + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5674.16,'cm^3/(mol*s)'), n=2.91703, Ea=(-2.6119,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03721, dn = +|- 0.00480012, dEa = +|- 0.0261221 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [OH] <=> O + C[CH]F +barrier = 4.429419 kJ/mol +T1 = 0.021683034 + +Atom XYZ coordinates (angstrom) +F -0.070384 1.207242 0.164688 +O 1.879083 -1.080562 -0.152963 +C -1.47642 -0.668772 -0.194118 +C -0.345489 -0.073041 0.589348 +H -1.231574 -0.68559 -1.254605 +H -1.658438 -1.689235 0.139594 +H -2.384818 -0.083306 -0.048582 +H 0.618529 -0.692121 0.401208 +H -0.497384 -0.052457 1.66876 +H 2.138395 -0.188893 -0.437627 +""", +) + +entry( + index = 3592, + label = "HO + CH2Cl2 <=> H2O + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9486.36,'cm^3/(mol*s)'), n=2.96962, Ea=(-4.549,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05167, dn = +|- 0.00661933, dEa = +|- 0.0360222 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + ClCCl <=> O + Cl[CH]Cl +barrier = 1.334744 kJ/mol +T1 = 0.022795634 + +Atom XYZ coordinates (angstrom) +Cl -1.551562 0.54317 -0.334064 +Cl 0.585916 -1.42372 0.072447 +O 1.844355 1.681913 -0.30397 +C -0.047469 0.165925 0.471831 +H 0.734793 0.952944 0.123221 +H -0.165029 0.253163 1.545153 +H 2.372618 0.938124 -0.638578 +""", +) + +entry( + index = 3593, + label = "C2H3 + C2HClF4-2 <=> C2H4 + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0165286,'cm^3/(mol*s)'), n=4.3912, Ea=(5.00521,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.41757, dn = +|- 0.0458439, dEa = +|- 0.249481 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + FC(F)C(F)(F)Cl <=> CDC + F[C](F)C(F)(F)Cl +barrier = 20.206993 kJ/mol +T1 = 0.016100299 + +Atom XYZ coordinates (angstrom) +Cl -2.315447 -0.134535 0.400464 +F 0.42169 -1.530078 0.535592 +F -0.121722 -1.056417 -1.522412 +F -0.737709 1.500089 -0.745707 +F -0.220588 1.000428 1.294428 +C 0.281259 -0.550499 -0.358359 +C -0.689315 0.507811 0.145909 +C 3.364314 0.254041 0.639571 +C 2.746632 0.458834 -0.49733 +H 1.448445 0.006934 -0.517332 +H 4.394596 0.563547 0.790355 +H 2.871932 -0.232353 1.474546 +H 3.082576 0.922792 -1.414661 +""", +) + +entry( + index = 3594, + label = "H + C2H5F <=> H2 + C2H4F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3262.86,'cm^3/(mol*s)'), n=3.15371, Ea=(28.7861,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.82771, dn = +|- 0.0792304, dEa = +|- 0.431169 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [H] <=> [H][H] + [CH2]CF +barrier = 46.316476 kJ/mol +T1 = 0.01662391 + +Atom XYZ coordinates (angstrom) +F -1.204198 -0.327775 -0.065989 +C 1.112182 0.060194 -0.230065 +C -0.208364 0.593081 0.214605 +H 1.329923 -1.045765 0.542244 +H 1.960192 0.69344 0.01163 +H 1.129887 -0.329 -1.243113 +H -0.224775 0.782809 1.289153 +H -0.46665 1.518849 -0.307784 +H 1.44266 -1.758367 1.103644 +""", +) + +entry( + index = 3595, + label = "C2H3 + CH3F <=> C2H4 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(9.88331e-05,'cm^3/(mol*s)'), n=4.96603, Ea=(16.1452,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.06734, dn = +|- 0.0954162, dEa = +|- 0.519251 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + [CH]DC <=> CDC + [CH2]F +barrier = 38.855036 kJ/mol +T1 = 0.017972506 + +Atom XYZ coordinates (angstrom) +F 1.494087 -0.769056 -0.018981 +C 1.366684 0.588018 0.046893 +C -1.737718 -0.526428 -0.023319 +C -1.289513 0.705149 0.04014 +H 0.094652 0.812472 0.052057 +H 1.78092 1.053392 -0.84405 +H 1.772602 0.96397 0.982753 +H -2.800933 -0.750122 -0.039435 +H -1.05795 -1.370693 -0.062207 +H -1.847146 1.632274 0.083792 +""", +) + +entry( + index = 3596, + label = "C2H3 + C2H4F2-2 <=> C2H4 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000519463,'cm^3/(mol*s)'), n=4.75232, Ea=(8.58366,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.73023, dn = +|- 0.0720294, dEa = +|- 0.391981 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [CH]DC <=> CDC + C[C](F)F +barrier = 27.997675 kJ/mol +T1 = 0.016828058 + +Atom XYZ coordinates (angstrom) +F 1.221893 0.849442 1.216965 +F 0.553748 -1.18646 0.822935 +C 1.829938 -0.117065 -0.850706 +C 0.821138 0.005791 0.244239 +C -2.451745 -0.346265 -0.257229 +C -1.646901 0.652418 -0.533727 +H 2.012897 0.861966 -1.287637 +H 1.450837 -0.789186 -1.617196 +H 2.762168 -0.513859 -0.446167 +H -0.315679 0.430984 -0.181823 +H -3.515109 -0.303009 -0.476598 +H -2.084811 -1.25481 0.207827 +H -1.873605 1.610078 -0.98466 +""", +) + +entry( + index = 3597, + label = "CH2Cl-2 + C2H4O <=> CH3Cl-2 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000329329,'cm^3/(mol*s)'), n=4.76174, Ea=(15.0163,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97252, dn = +|- 0.0892483, dEa = +|- 0.485686 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + [CH2]Cl <=> C[C]DO + CCl +barrier = 37.630320 kJ/mol +T1 = 0.020619863999999998 + +Atom XYZ coordinates (angstrom) +Cl -2.060293 -0.198318 -0.105024 +O 2.501674 0.745749 0.179378 +C 1.525818 -1.454759 0.023323 +C -0.961666 1.155611 0.014607 +C 1.548799 0.044381 0.088323 +H 0.906721 -1.830357 0.838648 +H 2.53397 -1.859094 0.082325 +H 1.040453 -1.755366 -0.905871 +H 0.378668 0.564921 0.041073 +H -1.062125 1.677181 0.957845 +H -0.984038 1.775651 -0.872455 +""", +) + +entry( + index = 3598, + label = "CF3-2 + CH4O <=> CHF3-2 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000135806,'cm^3/(mol*s)'), n=5.11801, Ea=(13.6129,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.10105, dn = +|- 0.0975416, dEa = +|- 0.530818 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + F[C](F)F <=> FC(F)F + [CH2]O +barrier = 35.107845 kJ/mol +T1 = 0.0172274 + +Atom XYZ coordinates (angstrom) +F -1.380652 0.11985 1.234332 +F -1.675353 -0.667604 -0.757892 +F -0.799551 1.29257 -0.488896 +O 2.326552 0.600014 0.381441 +C 1.747371 -0.586092 -0.026435 +C -0.875556 0.060519 0.011559 +H 0.479349 -0.449484 0.011032 +H 1.967507 -0.876048 -1.054586 +H 1.972723 -1.369535 0.690642 +H 2.21895 1.270386 -0.298264 +""", +) + +entry( + index = 3599, + label = "CCl3 + CH4O2-3 <=> CHCl3 + CH3O2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.13312e-06,'cm^3/(mol*s)'), n=4.93862, Ea=(7.49747,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.82601, dn = +|- 0.0791086, dEa = +|- 0.430506 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: COO + Cl[C](Cl)Cl <=> CO[O] + ClC(Cl)Cl +barrier = 31.251773 kJ/mol +T1 = 0.02106819 + +Atom XYZ coordinates (angstrom) +Cl -0.234283 1.794963 0.100493 +Cl -1.911667 -0.213556 -1.173209 +Cl -0.75105 -0.734175 1.443734 +O 2.347461 0.329849 -0.9942 +O 1.508424 -0.734632 -1.153453 +C 3.015317 0.205966 0.252685 +C -0.600782 0.105625 -0.077309 +H 2.294589 0.257464 1.071059 +H 3.698475 1.050496 0.301166 +H 3.561596 -0.735317 0.290267 +H 0.511347 -0.400493 -0.676083 +""", +) + +entry( + index = 3600, + label = "HO + C2H5Cl-2 <=> H2O + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(403.915,'cm^3/(mol*s)'), n=3.10132, Ea=(-4.36659,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04126, dn = +|- 0.00531249, dEa = +|- 0.0289104 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CCCl <=> O + [CH2]CCl +barrier = 4.737623 kJ/mol +T1 = 0.02067344 + +Atom XYZ coordinates (angstrom) +Cl 1.337307 -0.387542 -0.03074 +O -1.912747 -1.260256 -0.177608 +C -0.952034 1.058213 -0.309654 +C 0.246315 0.903922 0.580232 +H -1.556016 0.032633 -0.306001 +H -0.697908 1.254159 -1.348085 +H -1.65782 1.791304 0.078547 +H -0.033497 0.616861 1.589292 +H 0.845645 1.810843 0.615771 +H -1.027734 -1.645943 -0.291181 +""", +) + +entry( + index = 3601, + label = "C2HF4-4 + CH3F <=> C2H2F4-4 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(9.03014e-06,'cm^3/(mol*s)'), n=5.61728, Ea=(27.7684,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.99843, dn = +|- 0.144267, dEa = +|- 0.785097 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[C](F)C(F)F <=> FC(F)C(F)F + [CH2]F +barrier = 53.211155 kJ/mol +T1 = 0.016017772 + +Atom XYZ coordinates (angstrom) +F -0.029241 -0.851268 -1.519126 +F 0.704848 -1.656275 0.369554 +F 0.920967 1.613824 -0.840937 +F 1.664169 0.805089 1.049801 +F -2.464097 -0.875385 1.458821 +C 0.308788 -0.54891 -0.261766 +C 1.396004 0.504865 -0.237108 +C -1.90758 0.284327 1.036112 +H -0.797632 -0.057264 0.381825 +H 2.31523 0.187023 -0.734588 +H -1.57787 0.895224 1.872349 +H -2.539487 0.785815 0.307953 +""", +) + +entry( + index = 3602, + label = "CH3O-3 + ClH-2 <=> CH4O-3 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(78.0955,'cm^3/(mol*s)'), n=3.13311, Ea=(4.90243,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.12612, dn = +|- 0.0156048, dEa = +|- 0.0849206 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + C[O] <=> [Cl] + CO +barrier = 21.499474 kJ/mol +T1 = 0.054630063 + +Atom XYZ coordinates (angstrom) +Cl 1.45268 0.131595 -0.125808 +O -1.001927 -0.732743 0.07012 +C -1.77813 0.41642 0.023374 +H -1.864477 0.787099 -1.0012 +H -2.781527 0.087568 0.327899 +H -1.419655 1.191136 0.700091 +H 0.17488 -0.472086 0.256092 +""", +) + +entry( + index = 3603, + label = "HO + C2H2F2 <=> H2O + C2HF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.77383,'cm^3/(mol*s)'), n=4.12729, Ea=(17.2482,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.67405, dn = +|- 0.0676934, dEa = +|- 0.368385 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDC(F)F + [OH] <=> O + [CH]DC(F)F +barrier = 34.810626 kJ/mol +T1 = 0.020300003 + +Atom XYZ coordinates (angstrom) +F -0.567236 1.217504 -0.124952 +F -1.951213 -0.417232 0.052926 +O 2.488831 0.161362 -0.171514 +C -0.682879 -0.09019 -0.071575 +C 0.313004 -0.93684 -0.138444 +H 0.246516 -2.00778 -0.062046 +H 2.275982 0.725431 0.587419 +H 1.456517 -0.443225 -0.307685 +""", +) + +entry( + index = 3604, + label = "C2HF2-4 + H2-2 <=> C2H2F2-4 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2706.93,'cm^3/(mol*s)'), n=2.87807, Ea=(16.9186,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06092, dn = +|- 0.00776943, dEa = +|- 0.0422809 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + F[C]DCF <=> FCDCF + [H] +barrier = 31.239257 kJ/mol +T1 = 0.019868023999999998 + +Atom XYZ coordinates (angstrom) +F -1.32143 -0.624342 -0.000247 +F 1.509692 -0.633319 0.000137 +C -0.554255 0.439281 0.000299 +C 0.759077 0.475569 3e-06 +H -1.258898 1.700222 2e-05 +H 1.312911 1.400469 -4.5e-05 +H -1.668285 2.454025 -0.000421 +""", +) + +entry( + index = 3605, + label = "C2H4Cl-4 + C2H4Cl2 <=> C2H5Cl-4 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.07908e-05,'cm^3/(mol*s)'), n=4.82918, Ea=(26.3454,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.98061, dn = +|- 0.0897856, dEa = +|- 0.48861 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]Cl + ClCCCl <=> CCCl + Cl[CH]CCl +barrier = 46.914850 kJ/mol +T1 = 0.014264519 + +Atom XYZ coordinates (angstrom) +Cl -2.067998 -1.417046 -1.272006 +Cl 1.643096 0.077634 1.834666 +Cl 1.050021 1.847263 -1.028352 +C -1.907365 0.679555 0.491127 +C -1.264091 -0.605332 0.070722 +C 2.140083 -0.360043 0.164253 +C 1.147646 0.106553 -0.848654 +H -1.995193 1.360852 -0.35404 +H -1.29315 1.152437 1.258344 +H -2.904954 0.501497 0.897808 +H -1.062056 -1.321039 0.861068 +H -0.068204 -0.288668 -0.402926 +H 2.21502 -1.444162 0.132529 +H 3.123384 0.080784 0.014646 +H 1.243762 -0.370084 -1.819186 +""", +) + +entry( + index = 3606, + label = "CH3-2 + C2HF5 <=> CH4-2 + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000502707,'cm^3/(mol*s)'), n=4.87759, Ea=(23.1804,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.16853, dn = +|- 0.101695, dEa = +|- 0.553419 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)(F)F + [CH3] <=> C + F[C](F)C(F)(F)F +barrier = 47.006480 kJ/mol +T1 = 0.015610075 + +Atom XYZ coordinates (angstrom) +F -0.341077 1.452414 0.995259 +F -0.599478 1.270895 -1.162954 +F 0.648251 -1.159387 -1.097691 +F 1.901444 0.399958 -0.286907 +F 0.904221 -0.979622 1.040395 +C -0.44431 0.597527 -0.022685 +C 0.785069 -0.296467 -0.094702 +C -2.632001 -0.90835 0.366087 +H -1.521123 -0.169968 0.170867 +H -2.260086 -1.925927 0.406499 +H -3.027248 -0.536944 1.304398 +H -3.244208 -0.687959 -0.500645 +""", +) + +entry( + index = 3607, + label = "HO + C2H5F <=> H2O + C2H4F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(192.155,'cm^3/(mol*s)'), n=3.18531, Ea=(-1.91687,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05532, dn = +|- 0.00707394, dEa = +|- 0.0384961 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [OH] <=> O + [CH2]CF +barrier = 8.695986 kJ/mol +T1 = 0.021044262 + +Atom XYZ coordinates (angstrom) +F 0.943386 -1.001032 -0.193227 +O -1.992143 -0.677454 0.356171 +C 0.898982 0.324705 0.228836 +C -0.290643 0.994443 -0.387594 +H 1.836528 0.792425 -0.077372 +H 0.836899 0.316596 1.316661 +H -0.461238 1.995704 0.001807 +H -0.277334 0.978022 -1.474601 +H -1.349752 -1.377762 0.153093 +H -1.24865 0.361981 -0.061192 +""", +) + +entry( + index = 3608, + label = "C2H3Cl2-3 + CH4O2-3 <=> C2H4Cl2-3 + CH3O2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000148671,'cm^3/(mol*s)'), n=4.18561, Ea=(2.30344,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.26704, dn = +|- 0.0310953, dEa = +|- 0.169219 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: COO + [CH2]C(Cl)Cl <=> CO[O] + CC(Cl)Cl +barrier = 21.962235 kJ/mol +T1 = 0.019135035 + +Atom XYZ coordinates (angstrom) +Cl 1.847074 -1.944806 -0.203722 +Cl 1.172663 -0.156794 2.022171 +O -2.217641 0.234556 1.059267 +O -1.625037 1.367167 0.540922 +C 0.395459 0.297427 -0.518265 +C 0.628501 -0.795521 0.460403 +C -3.13248 -0.268384 0.102225 +H -0.681277 0.977842 0.028047 +H 0.026466 -0.036646 -1.48297 +H 1.171925 1.053919 -0.561535 +H -0.26104 -1.38374 0.654809 +H -2.602593 -0.598221 -0.795081 +H -3.620295 -1.115145 0.580557 +H -3.863969 0.494679 -0.159486 +""", +) + +entry( + index = 3609, + label = "C3H7-4 + CH3Cl <=> C3H8-4 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.20911e-05,'cm^3/(mol*s)'), n=4.75577, Ea=(29.44,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.02978, dn = +|- 0.0930073, dEa = +|- 0.506142 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CC + CCl <=> CCC + [CH2]Cl +barrier = 52.007441 kJ/mol +T1 = 0.014395113000000001 + +Atom XYZ coordinates (angstrom) +Cl 0.728653 -2.302809 -2.965707 +C 1.285328 0.379322 -0.668167 +C 1.240551 -0.695885 0.411568 +C -0.784965 -1.655062 -2.359462 +C -0.077435 0.677863 -1.23598 +H 1.95471 0.067017 -1.472347 +H 1.714663 1.297437 -0.252371 +H 0.57227 -0.402731 1.222824 +H 2.22744 -0.875537 0.835831 +H 0.878649 -1.639295 0.000251 +H -0.494508 -0.463347 -1.788985 +H -1.470708 -1.446015 -3.171588 +H -1.192684 -2.285462 -1.578226 +H -0.844701 0.893828 -0.494183 +H -0.099586 1.379617 -2.065944 +""", +) + +entry( + index = 3610, + label = "C2H4Cl-3 + CH4O <=> C2H5Cl-3 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(7.24207e-06,'cm^3/(mol*s)'), n=4.86953, Ea=(21.0129,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.06318, dn = +|- 0.0951516, dEa = +|- 0.517811 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + [CH2]CCl <=> [CH2]O + CCCl +barrier = 44.698917 kJ/mol +T1 = 0.016406721000000003 + +Atom XYZ coordinates (angstrom) +Cl 1.142348 -1.006092 0.281263 +O -2.058332 -0.586501 -0.571226 +C 0.432327 1.551069 -0.393651 +C 1.440812 0.78225 0.38921 +C -1.892585 0.421238 0.360902 +H -0.827639 1.088874 0.047227 +H 0.408441 1.333361 -1.456826 +H 0.415938 2.612639 -0.164256 +H 2.459804 0.907359 0.027861 +H 1.40905 1.020613 1.448717 +H -2.719726 1.122189 0.297698 +H -1.706886 0.072579 1.378743 +H -1.304696 -1.183134 -0.508257 +""", +) + +entry( + index = 3611, + label = "C2H2F3-6 + H2-2 <=> C2H3F3-6 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(11.7433,'cm^3/(mol*s)'), n=3.32783, Ea=(29.6117,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.46697, dn = +|- 0.0503451, dEa = +|- 0.273976 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + [CH2]C(F)(F)F <=> CC(F)(F)F + [H] +barrier = 53.687230 kJ/mol +T1 = 0.015971081 + +Atom XYZ coordinates (angstrom) +F -0.274504 0.989256 -0.869876 +F -1.106614 -0.928287 -0.34596 +F -0.39531 0.39304 1.200647 +C 1.219148 -0.655061 -0.131797 +C -0.137289 -0.049493 -0.036359 +H 2.061449 0.384703 0.217283 +H 1.408 -1.416967 0.614037 +H 1.510693 -0.909074 -1.14313 +H 2.598249 1.07421 0.424808 +""", +) + +entry( + index = 3612, + label = "H + CH3Cl <=> H2 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1002.09,'cm^3/(mol*s)'), n=3.31563, Ea=(21.8854,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.00171, dn = +|- 0.0911782, dEa = +|- 0.496189 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + CCl <=> [H][H] + [CH2]Cl +barrier = 42.019065 kJ/mol +T1 = 0.018225958 + +Atom XYZ coordinates (angstrom) +Cl -0.783952 -0.189785 0.029987 +C 0.955481 -0.281088 0.06753 +H 1.425093 0.951295 -0.134979 +H 1.324962 -0.560096 1.046337 +H 1.348182 -0.86358 -0.756488 +H 1.754185 1.815895 -0.276679 +""", +) + +entry( + index = 3613, + label = "C2H3Cl2-4 + CH2Cl2 <=> C2H4Cl2-4 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.97389e-05,'cm^3/(mol*s)'), n=4.81224, Ea=(21.3378,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.94384, dn = +|- 0.087324, dEa = +|- 0.475214 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClCCl + Cl[CH]CCl <=> Cl[CH]Cl + ClCCCl +barrier = 41.263423 kJ/mol +T1 = 0.014938443000000001 + +Atom XYZ coordinates (angstrom) +Cl -1.028862 2.130474 -0.592111 +Cl -1.994537 -1.847891 0.704952 +Cl 1.252333 -0.957272 -1.345956 +Cl 2.367645 0.868689 0.660119 +C -1.213658 0.69711 0.390895 +C -2.063934 -0.345721 -0.266939 +C 1.218724 -0.390829 0.304861 +H 0.017839 0.154144 0.453254 +H -1.478188 0.947025 1.412902 +H -3.108689 -0.046495 -0.325534 +H -1.692183 -0.579779 -1.260927 +H 1.299084 -1.215434 1.002004 +""", +) + +entry( + index = 3614, + label = "C3H2F3-5 + CHF3 <=> C3H3F3-5 + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.07516e-05,'cm^3/(mol*s)'), n=5.08323, Ea=(13.7375,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.06772, dn = +|- 0.0954403, dEa = +|- 0.519382 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + CD[C]C(F)(F)F <=> CDCC(F)(F)F + F[C](F)F +barrier = 33.905115 kJ/mol +T1 = 0.016093331000000002 + +Atom XYZ coordinates (angstrom) +F 2.843457 0.408759 0.015627 +F 1.631299 -1.001156 1.109904 +F 1.597495 -0.999899 -1.041679 +F -2.22296 -0.937679 -0.986104 +F -2.70775 0.867124 0.103082 +F -2.189046 -0.938469 1.175197 +C 1.656474 -0.207571 0.033916 +C 0.523543 0.758012 0.052275 +C 0.565172 2.06662 0.052254 +C -1.952507 -0.222851 0.090829 +H -0.707654 0.160719 0.071378 +H 1.514143 2.593871 0.037525 +H -0.341004 2.659145 0.066847 +""", +) + +entry( + index = 3615, + label = "CF3-2 + ClH-2 <=> CHF3-2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(287.203,'cm^3/(mol*s)'), n=2.94673, Ea=(10.7927,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02445, dn = +|- 0.00317317, dEa = +|- 0.0172683 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + F[C](F)F <=> [Cl] + FC(F)F +barrier = 19.559921 kJ/mol +T1 = 0.016403853 + +Atom XYZ coordinates (angstrom) +Cl 2.079448 -0.005668 -0.326348 +F -1.07946 1.103372 0.650617 +F -1.302168 -0.037639 -1.173813 +F -1.075563 -1.05878 0.719851 +C -0.766565 0.001518 0.018948 +H 0.671307 -0.002108 -0.15604 +""", +) + +entry( + index = 3616, + label = "C4H3-3 + C2H4Cl2-2 <=> C4H4-3 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.010894,'cm^3/(mol*s)'), n=4.18708, Ea=(2.00044,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.2457, dn = +|- 0.0288642, dEa = +|- 0.157078 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCC#C + CC(Cl)Cl <=> C#CCDC + [CH2]C(Cl)Cl +barrier = 14.600987 kJ/mol +T1 = 0.015065597 + +Atom XYZ coordinates (angstrom) +Cl -2.246845 0.921518 -0.157109 +Cl -1.161858 -1.768738 -0.561918 +C -0.144953 -0.046562 1.251868 +C -0.766192 -0.091397 -0.102959 +C 2.94643 -0.551682 0.051062 +C 2.622209 0.782619 -0.349203 +C 2.154256 -1.309207 0.788737 +C 2.365853 1.900098 -0.702025 +H 0.935094 -0.715294 1.143691 +H 0.174676 0.953959 1.529735 +H -0.736946 -0.540126 2.01709 +H -0.1086 0.295899 -0.872338 +H 3.904876 -0.934163 -0.292756 +H 2.321236 -2.32574 1.116526 +H 2.139963 2.891933 -1.01192 +""", +) + +entry( + index = 3617, + label = "CH3-2 + C2H4Cl2 <=> CH4-2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.00876598,'cm^3/(mol*s)'), n=4.62803, Ea=(20.1897,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.86443, dn = +|- 0.0818436, dEa = +|- 0.44539 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + ClCCCl <=> C + Cl[CH]CCl +barrier = 42.335257 kJ/mol +T1 = 0.014440063000000001 + +Atom XYZ coordinates (angstrom) +Cl 2.188419 -0.050258 0.160455 +Cl -2.010238 -0.938066 -0.178874 +C 0.602847 -0.817739 0.48013 +C -0.552862 2.32313 0.093379 +C -0.405745 -0.280457 -0.490702 +H 0.322985 -0.580449 1.503218 +H 0.738122 -1.892268 0.380204 +H -1.602914 2.561129 -0.032039 +H -0.208803 2.33009 1.121706 +H 0.114276 2.821699 -0.599709 +H -0.485707 1.004509 -0.267381 +H -0.141831 -0.404515 -1.535545 +""", +) + +entry( + index = 3618, + label = "C4H5-8 + C2H5Cl-2 <=> C4H6-8 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00606334,'cm^3/(mol*s)'), n=4.50189, Ea=(12.0364,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.54323, dn = +|- 0.0570028, dEa = +|- 0.310207 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCCDC + CCCl <=> CDCCDC + [CH2]CCl +barrier = 27.339791 kJ/mol +T1 = 0.014890100000000002 + +Atom XYZ coordinates (angstrom) +Cl -3.143834 1.43253 -1.044889 +C -1.285413 0.267247 0.57934 +C -1.588826 0.52791 -0.860626 +C 3.449839 -0.42298 -0.080209 +C 2.044044 -0.073842 0.121948 +C 4.37822 0.460958 -0.43103 +C 1.10273 -0.931431 0.471512 +H -0.184437 -0.371357 0.590094 +H -1.096441 1.165128 1.161281 +H -1.998697 -0.389878 1.069008 +H -1.70962 -0.390869 -1.426294 +H -0.829084 1.141833 -1.33504 +H 3.71725 -1.462914 0.07141 +H 1.784485 0.97255 -0.02958 +H 5.409879 0.172163 -0.572824 +H 4.128129 1.503303 -0.586155 +H 1.191042 -1.99423 0.661322 +""", +) + +entry( + index = 3619, + label = "C2H4Cl-4 + C2H6O2-2 <=> C2H5Cl-4 + C2H5O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.03235e-05,'cm^3/(mol*s)'), n=4.42738, Ea=(2.21743,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.40635, dn = +|- 0.0448, dEa = +|- 0.2438 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCOO + C[CH]Cl <=> CCO[O] + CCCl +barrier = 24.555533 kJ/mol +T1 = 0.019026294 + +Atom XYZ coordinates (angstrom) +Cl 1.856309 -1.028555 -0.903903 +O -1.807287 1.072521 0.080139 +O -0.909274 1.148444 -0.960855 +C -2.605398 -0.098256 -0.076871 +C -1.83068 -1.372888 0.182843 +C 2.072502 1.487825 0.158984 +C 1.203377 0.273476 0.066452 +H -3.035112 -0.089198 -1.079503 +H -3.40383 0.039055 0.652217 +H -1.411216 -1.370863 1.188966 +H -2.494716 -2.232162 0.091509 +H -1.024363 -1.492086 -0.539649 +H 2.322192 1.859422 -0.833459 +H 3.002265 1.26044 0.68533 +H 1.542492 2.268462 0.703981 +H 0.086117 0.674174 -0.542095 +H 0.805434 -0.118529 0.99815 +""", +) + +entry( + index = 3620, + label = "C2F5-2 + CH3F <=> C2HF5-2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3.46617e-07,'cm^3/(mol*s)'), n=5.64757, Ea=(28.27,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.05842, dn = +|- 0.14687, dEa = +|- 0.799259 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[C](F)C(F)(F)F <=> FC(F)C(F)(F)F + [CH2]F +barrier = 54.328276 kJ/mol +T1 = 0.015823465 + +Atom XYZ coordinates (angstrom) +F -0.325521 -0.853939 -1.449926 +F -2.196389 -0.050743 -0.733908 +F -1.080559 -1.432722 0.49208 +F 2.184968 -1.547863 0.523885 +F -0.046027 1.722893 -0.583233 +F -0.807394 1.139308 1.374832 +C -0.972816 -0.428928 -0.370896 +C 2.239475 -0.258387 0.929718 +C -0.196214 0.711876 0.271066 +H 2.325421 -0.18425 2.010431 +H 2.969118 0.308628 0.35793 +H 1.054633 0.254773 0.621149 +""", +) + +entry( + index = 3621, + label = "O + CHClO <=> HO-2 + CClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(19656.1,'cm^3/(mol*s)'), n=2.93242, Ea=(10.2075,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.43705, dn = +|- 0.0476374, dEa = +|- 0.259241 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + ODCCl <=> [OH] + OD[C]Cl +barrier = 20.897245 kJ/mol +T1 = 0.030946286 + +Atom XYZ coordinates (angstrom) +Cl -1.265147 -0.444243 0.055759 +O 0.225882 1.709745 0.076905 +O 2.118651 -1.07743 0.194278 +C 0.18097 0.546119 0.094498 +H 1.149196 -0.200882 0.143929 +""", +) + +entry( + index = 3622, + label = "C2H3 + C2H2F4 <=> C2H4 + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0013336,'cm^3/(mol*s)'), n=4.62141, Ea=(10.9619,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.64946, dn = +|- 0.0657489, dEa = +|- 0.357803 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + [CH]DC <=> CDC + F[CH]C(F)(F)F +barrier = 28.817368 kJ/mol +T1 = 0.016040858999999998 + +Atom XYZ coordinates (angstrom) +F 0.383983 1.761976 -0.292507 +F -2.200455 0.757188 0.211304 +F -0.638093 -0.18766 1.348884 +F -1.482776 -1.196577 -0.368847 +C -0.066168 0.586813 -0.79196 +C -1.107414 -0.008202 0.115347 +C 2.892113 -0.271672 0.357991 +C 2.12689 -0.884422 -0.511453 +H 0.945989 -0.23549 -0.769396 +H -0.414609 0.691612 -1.816498 +H 3.856705 -0.675303 0.652302 +H 2.589072 0.662486 0.818179 +H 2.274972 -1.811647 -1.048751 +""", +) + +entry( + index = 3623, + label = "CH3-2 + CHClO <=> CH4-2 + CClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.056674,'cm^3/(mol*s)'), n=4.38506, Ea=(7.60586,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.53525, dn = +|- 0.0563214, dEa = +|- 0.306499 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + ODCCl <=> C + OD[C]Cl +barrier = 27.977014 kJ/mol +T1 = 0.021949347 + +Atom XYZ coordinates (angstrom) +Cl 2.777605 0.665655 -0.251397 +O 0.441471 1.376993 -1.241492 +C -0.129552 -0.982246 1.333325 +C 0.992797 0.714129 -0.45643 +H 0.745493 -1.311184 1.880068 +H -0.593998 -1.724824 0.69665 +H -0.811395 -0.339651 1.8761 +H 0.460588 -0.076684 0.378568 +""", +) + +entry( + index = 3624, + label = "C2H3Cl2-3 + C2H4O-2 <=> C2H4Cl2-3 + C2H3O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(4.808e-05,'cm^3/(mol*s)'), n=4.39862, Ea=(21.4719,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.61084, dn = +|- 0.0626362, dEa = +|- 0.340864 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + [CH2]C(Cl)Cl <=> [CH2]CDO + CC(Cl)Cl +barrier = 40.450860 kJ/mol +T1 = 0.015883955 + +Atom XYZ coordinates (angstrom) +Cl -2.421635 0.520426 1.13376 +Cl -0.610827 -1.466035 -0.03268 +O 2.616898 1.8e-05 1.305469 +C -0.349162 1.176615 -0.469037 +C -0.740092 0.204233 0.58185 +C 2.207943 0.505704 -0.962175 +C 2.516694 -0.392657 0.166225 +H 0.989262 0.825488 -0.727151 +H -0.272425 2.201835 -0.123245 +H -0.842693 1.046339 -1.425566 +H -0.11362 0.260459 1.465153 +H 2.217008 0.058117 -1.949689 +H 2.694781 1.47393 -0.895584 +H 2.604084 -1.468203 -0.06192 +""", +) + +entry( + index = 3625, + label = "CH3-2 + CH3Cl <=> CH4-2 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.133881,'cm^3/(mol*s)'), n=3.80413, Ea=(30.0047,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.17393, dn = +|- 0.102022, dEa = +|- 0.555198 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + CCl <=> C + [CH2]Cl +barrier = 54.311014 kJ/mol +T1 = 0.016278141 + +Atom XYZ coordinates (angstrom) +Cl -1.349518 -0.206752 -0.216225 +C -0.103296 0.999326 0.045289 +C 2.177608 -0.395587 0.002202 +H 1.042646 0.358409 0.032533 +H -0.073378 1.710578 -0.771449 +H -0.198775 1.450534 1.025661 +H 2.156915 -0.844394 -0.984348 +H 2.033689 -1.102394 0.811425 +H 2.990163 0.304672 0.158573 +""", +) + +entry( + index = 3626, + label = "C2H5-2 + C2HCl2F3 <=> C2H6-2 + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0479663,'cm^3/(mol*s)'), n=4.09007, Ea=(5.45872,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.29141, dn = +|- 0.0335983, dEa = +|- 0.182841 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)(F)C(Cl)Cl + C[CH2] <=> FC(F)(F)[C](Cl)Cl + CC +barrier = 20.144206 kJ/mol +T1 = 0.014553378 + +Atom XYZ coordinates (angstrom) +Cl -0.200219 0.615762 -1.773871 +Cl -0.085277 -1.942777 -0.365444 +F 1.497497 -0.361507 1.579987 +F 1.413361 1.523919 0.54119 +F 2.451603 -0.146347 -0.340604 +C -1.896405 0.592918 1.35231 +C -3.110193 0.121382 0.603451 +C 1.385148 0.201289 0.376718 +C 0.074074 -0.211419 -0.266093 +H -0.862941 0.214515 0.584256 +H -1.755015 1.668648 1.410822 +H -1.682121 0.086144 2.289255 +H -4.024481 0.381637 1.143988 +H -3.101549 -0.96094 0.476676 +H -3.170623 0.581575 -0.382554 +""", +) + +entry( + index = 3627, + label = "H + C2H4Cl2-2 <=> H2 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(533.412,'cm^3/(mol*s)'), n=3.27403, Ea=(25.4267,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.94003, dn = +|- 0.0870661, dEa = +|- 0.473811 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + CC(Cl)Cl <=> [H][H] + [CH2]C(Cl)Cl +barrier = 44.097421 kJ/mol +T1 = 0.015114576000000001 + +Atom XYZ coordinates (angstrom) +Cl -1.471315 -0.60789 -0.061846 +Cl 1.462717 -0.598895 -0.025624 +C -0.010943 1.663023 -0.068154 +C -0.000359 0.263053 -0.57764 +H -0.027757 1.525097 1.293052 +H -0.924404 2.206329 -0.285033 +H 0.904473 2.211743 -0.261917 +H 0.013193 0.204175 -1.661738 +H -0.037982 1.334591 2.181085 +""", +) + +entry( + index = 3628, + label = "F + C2H2-2 <=> FH + C2H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(160.573,'cm^3/(mol*s)'), n=3.75717, Ea=(23.4071,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.93583, dn = +|- 0.086781, dEa = +|- 0.472259 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [F] + C#C <=> F + [C]#C +barrier = 41.960963 kJ/mol +T1 = 0.04098999 + +Atom XYZ coordinates (angstrom) +F -1.595333 -0.072766 4e-06 +C 0.58666 0.259808 4.9e-05 +C 1.722627 -0.145864 2.1e-05 +H -0.595598 0.542319 4.6e-05 +H 2.765697 -0.362326 6e-06 +""", +) + +entry( + index = 3629, + label = "H + C2H2F4-2 <=> H2 + C2HF4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(38.7565,'cm^3/(mol*s)'), n=3.70877, Ea=(20.101,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.44203, dn = +|- 0.1173, dEa = +|- 0.638342 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)F + [H] <=> [H][H] + F[C](F)C(F)F +barrier = 43.584077 kJ/mol +T1 = 0.016390012 + +Atom XYZ coordinates (angstrom) +F -1.373248 -1.087369 -0.399053 +F -1.372128 1.08939 -0.395742 +F 1.278907 -1.094837 0.242793 +F 1.280024 1.092178 0.246178 +C -0.762443 -1.2e-05 0.067468 +C 0.709782 -0.000204 -0.294978 +H -0.88447 -0.002099 1.406413 +H 0.873049 0.001386 -1.375558 +H -1.037372 -0.004002 2.334344 +""", +) + +entry( + index = 3630, + label = "CH3O-3 + CH2Cl2 <=> CH4O-3 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.35828,'cm^3/(mol*s)'), n=3.16452, Ea=(2.5837,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.30268, dn = +|- 0.0347404, dEa = +|- 0.189056 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[O] + ClCCl <=> CO + Cl[CH]Cl +barrier = 19.376082 kJ/mol +T1 = 0.022571916 + +Atom XYZ coordinates (angstrom) +Cl 1.06793 -0.058046 -0.864455 +Cl 0.039745 1.717337 1.223415 +O -1.681868 -1.142884 0.768118 +C -2.367049 -0.470569 -0.240525 +C 0.477262 0.090271 0.770517 +H -1.91156 -0.616306 -1.224263 +H -2.47772 0.597084 -0.025572 +H -3.370887 -0.91008 -0.262887 +H -0.553989 -0.590186 0.845802 +H 1.185127 -0.329292 1.475768 +""", +) + +entry( + index = 3631, + label = "CF3-2 + C3H8 <=> CHF3-2 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00251993,'cm^3/(mol*s)'), n=4.86972, Ea=(12.5628,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.79192, dn = +|- 0.0766321, dEa = +|- 0.417029 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + CCC <=> FC(F)F + C[CH]C +barrier = 29.219274 kJ/mol +T1 = 0.015077252 + +Atom XYZ coordinates (angstrom) +F 1.741926 -1.151654 0.280549 +F 1.121736 -0.028928 -1.461306 +F 1.800745 1.010746 0.309911 +C -1.487191 0.015488 0.482586 +C -1.933029 1.312716 -0.145722 +C -2.002274 -1.238028 -0.180534 +C 1.131948 -0.047261 -0.131921 +H -0.22333 -0.016503 0.31306 +H -1.583885 0.003304 1.567556 +H -1.472192 2.174899 0.334827 +H -3.017796 1.424818 -0.06641 +H -1.678598 1.334703 -1.206767 +H -1.748596 -1.244857 -1.241965 +H -3.091587 -1.293227 -0.103535 +H -1.589265 -2.136723 0.276005 +""", +) + +entry( + index = 3632, + label = "CF3-2 + C2H4F2-2 <=> CHF3-2 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.59244e-06,'cm^3/(mol*s)'), n=5.69136, Ea=(16.7202,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.86829, dn = +|- 0.138437, dEa = +|- 0.75337 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + F[C](F)F <=> FC(F)F + C[C](F)F +barrier = 41.491663 kJ/mol +T1 = 0.016003018 + +Atom XYZ coordinates (angstrom) +F 1.907648 -1.21076 0.736824 +F 1.943807 0.011125 -1.047813 +F 1.916075 0.945932 0.902143 +F -1.593634 -1.130313 -0.560051 +F -1.671509 -0.06321 1.333853 +C -1.665521 1.232822 -0.645662 +C 1.4815 -0.08538 0.191537 +C -1.224236 -0.001979 0.068656 +H -1.252654 1.237391 -1.651866 +H -2.754987 1.247956 -0.699163 +H -1.316787 2.109722 -0.104971 +H 0.078005 -0.049764 0.145813 +""", +) + +entry( + index = 3633, + label = "C2H3F2-6 + HO-4 <=> C2H4F2-6 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0922782,'cm^3/(mol*s)'), n=3.80666, Ea=(16.3002,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.57341, dn = +|- 0.0595473, dEa = +|- 0.324054 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + [CH2]C(F)F <=> CC(F)F + [O] +barrier = 39.138349 kJ/mol +T1 = 0.01820409 + +Atom XYZ coordinates (angstrom) +F 0.41092 1.199208 -0.325616 +F 1.909582 -0.336 0.087988 +O -2.497252 -0.107464 0.538986 +C -0.301182 -1.019633 -0.213093 +C 0.61789 0.028128 0.325251 +H -1.506499 -0.58153 0.107904 +H -0.241479 -1.976266 0.294872 +H -0.323585 -1.074163 -1.297009 +H 0.507838 0.206989 1.394177 +""", +) + +entry( + index = 3634, + label = "CF3-2 + CHFO <=> CHF3-2 + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.68627e-06,'cm^3/(mol*s)'), n=4.95224, Ea=(23.012,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.7255, dn = +|- 0.172791, dEa = +|- 0.940323 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCF + F[C](F)F <=> FC(F)F + OD[C]F +barrier = 51.431472 kJ/mol +T1 = 0.019125687 + +Atom XYZ coordinates (angstrom) +F 2.160169 0.671778 0.510679 +F -1.451631 1.299693 -0.16244 +F -1.35189 -0.30896 1.280707 +F -1.737071 -0.746682 -0.802181 +O 2.152697 -0.808485 -1.137534 +C -1.096482 0.044472 0.035425 +C 1.583003 -0.148094 -0.363061 +H 0.270531 -0.072475 -0.189138 +""", +) + +entry( + index = 3635, + label = "C2H3Cl2-3 + C3H6 <=> C2H4Cl2-3 + C3H5", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.14959e-05,'cm^3/(mol*s)'), n=4.57431, Ea=(14.1294,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.70783, dn = +|- 0.0703173, dEa = +|- 0.382664 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCC + [CH2]C(Cl)Cl <=> [CH2]CDC + CC(Cl)Cl +barrier = 34.696603 kJ/mol +T1 = 0.01440348 + +Atom XYZ coordinates (angstrom) +Cl -0.508143 1.211361 -0.834333 +Cl -2.289565 0.090016 1.203535 +C -0.427692 -1.385306 -0.115615 +C -0.65858 -0.032016 0.436409 +C 2.793096 -0.521652 0.349221 +C 2.165356 -1.100395 -0.842298 +C 2.934958 0.786456 0.564743 +H 0.949598 -1.32034 -0.545769 +H -0.990448 -1.622108 -1.011513 +H -0.402984 -2.170899 0.63257 +H 0.050561 0.235169 1.21178 +H 3.12035 -1.216401 1.1163 +H 2.08001 -0.420805 -1.685978 +H 2.526704 -2.083796 -1.129562 +H 2.617955 1.512656 -0.173999 +H 3.376982 1.163264 1.476528 +""", +) + +entry( + index = 3636, + label = "C2HF4-3 + CH2O <=> C2H2F4-3 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000197652,'cm^3/(mol*s)'), n=4.8649, Ea=(12.1504,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.91193, dn = +|- 0.0851493, dEa = +|- 0.46338 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]C(F)(F)F + CDO <=> FCC(F)(F)F + [CH]DO +barrier = 33.585110 kJ/mol +T1 = 0.019295248 + +Atom XYZ coordinates (angstrom) +F -1.058866 -1.354316 -0.967967 +F -0.773661 -0.703378 1.075661 +F -2.239627 0.268292 -0.164106 +F 0.14183 1.739047 0.137102 +O 3.256635 -0.839862 -0.820844 +C -1.022377 -0.282232 -0.170687 +C 0.049245 0.649065 -0.648539 +C 2.343663 -0.769323 -0.077664 +H 0.007666 0.890105 -1.706116 +H 1.281944 -0.127846 -0.399524 +H 2.313102 -1.235106 0.928114 +""", +) + +entry( + index = 3637, + label = "H + C2H3F3-2 <=> H2 + C2H2F3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(97.7445,'cm^3/(mol*s)'), n=3.50372, Ea=(22.0102,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.21857, dn = +|- 0.104692, dEa = +|- 0.569731 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [H] <=> [H][H] + F[CH]C(F)F +barrier = 43.181736 kJ/mol +T1 = 0.016488661 + +Atom XYZ coordinates (angstrom) +F 1.799284 -0.525614 -0.063462 +F -1.378924 0.943447 -0.021734 +F -0.962168 -1.194519 0.168911 +C 0.82182 0.321791 0.320506 +C -0.485402 -0.025437 -0.328432 +H 1.145054 1.524498 -0.168497 +H 0.774988 0.432095 1.401574 +H -0.410899 -0.121594 -1.411871 +H 1.410921 2.335071 -0.572206 +""", +) + +entry( + index = 3638, + label = "C2F5-2 + CH2O <=> C2HF5-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000786198,'cm^3/(mol*s)'), n=4.8777, Ea=(9.8684,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.81132, dn = +|- 0.0780468, dEa = +|- 0.424728 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)F + CDO <=> FC(F)C(F)(F)F + [CH]DO +barrier = 29.078982 kJ/mol +T1 = 0.018764435 + +Atom XYZ coordinates (angstrom) +F -1.129483 0.544795 1.415455 +F -2.28894 0.087932 -0.3471 +F -0.981073 -1.406669 0.498665 +F 0.124986 -0.28453 -1.733994 +F -0.024828 1.68465 -0.80894 +O 3.42901 0.217769 0.303014 +C -1.119073 -0.105389 0.253776 +C 0.053868 0.377101 -0.583364 +C 2.407115 -0.093714 0.800087 +H 1.297812 0.106406 0.194313 +H 2.312517 -0.569524 1.797224 +""", +) + +entry( + index = 3639, + label = "H + CH3F <=> H2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(601.877,'cm^3/(mol*s)'), n=3.3952, Ea=(26.2682,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.1174, dn = +|- 0.0985597, dEa = +|- 0.536358 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + [H] <=> [H][H] + [CH2]F +barrier = 46.850281 kJ/mol +T1 = 0.01922212 + +Atom XYZ coordinates (angstrom) +F 0.689982 0.359488 -0.001595 +C -0.464308 -0.345893 0.000951 +H -1.459729 0.556692 -0.002181 +H -0.585829 -0.906399 0.92336 +H -0.585687 -0.913358 -0.917217 +H -2.107244 1.235579 -0.003562 +""", +) + +entry( + index = 3640, + label = "C2HO-2 + CH3Cl <=> C2H2O-2 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.0281108,'cm^3/(mol*s)'), n=4.42902, Ea=(21.6276,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.53098, dn = +|- 0.0559554, dEa = +|- 0.304507 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCDO + CCl <=> CDCDO + [CH2]Cl +barrier = 37.412981 kJ/mol +T1 = 0.019398359 + +Atom XYZ coordinates (angstrom) +Cl -1.41639 -0.767028 -0.107141 +O 2.250135 -1.19083 0.324992 +C -1.13944 0.944862 -0.243565 +C 1.478114 1.11277 0.019135 +C 1.923886 -0.081662 0.182599 +H 0.107771 1.085557 -0.124171 +H -1.580481 1.492542 0.580251 +H -1.387282 1.317014 -1.230087 +H 1.894762 2.096443 -0.031817 +""", +) + +entry( + index = 3641, + label = "C2H3 + CH3Cl <=> C2H4 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.0080074,'cm^3/(mol*s)'), n=4.6693, Ea=(12.7347,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.71363, dn = +|- 0.0707631, dEa = +|- 0.38509 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DC + CCl <=> CDC + [CH2]Cl +barrier = 31.934455 kJ/mol +T1 = 0.017276007 + +Atom XYZ coordinates (angstrom) +Cl -1.952288 -0.036302 0.018982 +C 2.767234 -0.065698 0.047503 +C 1.586901 -0.620599 -0.088566 +C -0.534585 0.998285 0.040056 +H 3.682355 -0.650466 0.012689 +H 2.881448 1.0019 0.201215 +H 1.326427 -1.659495 -0.24458 +H 0.484394 0.221582 -0.026404 +H -0.508056 1.633792 -0.837135 +H -0.463154 1.535232 0.978552 +""", +) + +entry( + index = 3642, + label = "C3H7-2 + C2H4Cl2 <=> C3H8-2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.000105992,'cm^3/(mol*s)'), n=4.62874, Ea=(22.6173,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.79735, dn = +|- 0.0770296, dEa = +|- 0.419192 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]C + ClCCCl <=> CCC + Cl[CH]CCl +barrier = 41.853372 kJ/mol +T1 = 0.013702063 + +Atom XYZ coordinates (angstrom) +Cl -0.084825 1.662737 -0.585887 +Cl -2.741984 -0.568851 -0.743065 +C -0.299211 0.150366 0.283885 +C -0.986398 -0.910612 -0.498479 +C 2.550173 -1.018635 -0.913442 +C 2.959626 0.53948 1.064323 +C 2.246219 -0.668756 0.5195 +H 0.957843 -0.313772 0.491737 +H -0.713218 0.342197 1.267752 +H -0.933204 -1.85758 0.033936 +H -0.552889 -1.017389 -1.488736 +H 1.984042 -1.887468 -1.249995 +H 3.612458 -1.246933 -1.043397 +H 2.315406 -0.178131 -1.570554 +H 2.793456 1.405909 0.422283 +H 2.622905 0.790332 2.069835 +H 4.039197 0.364232 1.108749 +H 2.243979 -1.523778 1.194382 +""", +) + +entry( + index = 3643, + label = "CHCl2-2 + CH4O <=> CH2Cl2-2 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.11543e-05,'cm^3/(mol*s)'), n=5.05659, Ea=(29.3572,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.23548, dn = +|- 0.105689, dEa = +|- 0.575157 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + Cl[CH]Cl <=> [CH2]O + ClCCl +barrier = 52.668740 kJ/mol +T1 = 0.016802211 + +Atom XYZ coordinates (angstrom) +Cl -0.118324 1.501316 -0.441859 +Cl -1.777862 -0.643762 0.675136 +O 2.763106 -0.261758 -0.214133 +C -0.490898 -0.211491 -0.419815 +C 1.876415 -0.999884 0.541973 +H 0.674638 -0.785525 0.069588 +H -0.684066 -0.574675 -1.420945 +H 1.79088 -0.694508 1.585956 +H 2.070805 -2.060133 0.415053 +H 2.607724 0.676015 -0.065805 +""", +) + +entry( + index = 3644, + label = "C2H4Cl-3 + C2H6O2-2 <=> C2H5Cl-3 + C2H5O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000682668,'cm^3/(mol*s)'), n=4.26323, Ea=(3.06386,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.29219, dn = +|- 0.033678, dEa = +|- 0.183275 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCOO + [CH2]CCl <=> CCO[O] + CCCl +barrier = 22.339997 kJ/mol +T1 = 0.018680388 + +Atom XYZ coordinates (angstrom) +Cl -2.003424 -1.06323 -0.566458 +O 1.815011 0.842151 -0.08086 +O 0.795237 1.429899 -0.800829 +C 1.857724 -0.545929 -0.396262 +C 3.040634 -1.126331 0.343532 +C -1.214466 1.211831 0.709237 +C -2.332097 0.633741 -0.090926 +H 1.955531 -0.655846 -1.477382 +H 0.915482 -1.00531 -0.084729 +H 3.964779 -0.646853 0.025323 +H 2.928896 -0.987701 1.417761 +H 3.11381 -2.193143 0.13816 +H -0.119008 1.323576 -0.130699 +H -1.354742 2.251927 0.991524 +H -0.819809 0.584593 1.503151 +H -2.506605 1.189754 -1.008473 +H -3.26041 0.608516 0.480987 +""", +) + +entry( + index = 3645, + label = "CF3-2 + C2HF3O <=> CHF3-2 + C2F3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000287647,'cm^3/(mol*s)'), n=5.02975, Ea=(10.7134,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.97353, dn = +|- 0.0893151, dEa = +|- 0.48605 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCC(F)(F)F + F[C](F)F <=> FC(F)F + OD[C]C(F)(F)F +barrier = 30.235470 kJ/mol +T1 = 0.017974185 + +Atom XYZ coordinates (angstrom) +F -2.903825 0.280586 0.041376 +F -1.477753 -1.243022 0.600187 +F -1.510429 -0.48541 -1.421163 +F 1.752622 -1.358133 -0.647472 +F 2.560007 0.602095 -1.081543 +F 2.592582 -0.156741 0.944349 +O -0.845522 1.973645 0.642617 +C -1.673001 -0.156147 -0.142209 +C -0.605598 0.898 0.235635 +C 1.917874 -0.129272 -0.18984 +H 0.588125 0.443357 0.04604 +""", +) + +entry( + index = 3646, + label = "HO + C2H3F-3 <=> H2O + C2H2F-3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.339929,'cm^3/(mol*s)'), n=4.02362, Ea=(9.34359,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.53717, dn = +|- 0.0564859, dEa = +|- 0.307394 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCF + [OH] <=> O + [CH]DCF +barrier = 27.228680 kJ/mol +T1 = 0.021695918999999998 + +Atom XYZ coordinates (angstrom) +F -1.035571 -0.945342 0.173022 +O 1.944865 -0.343744 -0.131105 +C -0.013194 1.12401 0.002136 +C -1.092845 0.396182 0.130537 +H 1.071049 0.529459 -0.079464 +H 0.028343 2.200483 -0.040269 +H -2.106557 0.76637 0.213453 +H 1.384684 -1.132258 -0.050134 +""", +) + +entry( + index = 3647, + label = "CH2Cl-2 + C3H4 <=> CH3Cl-2 + C3H3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.96109e-05,'cm^3/(mol*s)'), n=4.88896, Ea=(31.7628,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.31873, dn = +|- 0.110493, dEa = +|- 0.601301 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCDC + [CH2]Cl <=> [CH]DCDC + CCl +barrier = 56.201301 kJ/mol +T1 = 0.018906825 + +Atom XYZ coordinates (angstrom) +Cl -1.560045 -0.790712 -0.155011 +C -1.504441 0.940485 -0.020114 +C 2.352052 -0.925876 -0.044493 +C 1.772896 0.25056 0.028652 +C 1.132344 1.352933 0.094108 +H -0.158953 1.231156 0.043985 +H -1.867102 1.431827 -0.914124 +H -1.923737 1.291142 0.914454 +H 2.571999 -1.491996 0.850261 +H 2.630251 -1.348283 -1.000333 +H 1.47875 2.369909 0.184045 +""", +) + +entry( + index = 3648, + label = "CF3-2 + C2H4F2 <=> CHF3-2 + C2H3F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.93229e-06,'cm^3/(mol*s)'), n=5.49468, Ea=(28.1061,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.77871, dn = +|- 0.134269, dEa = +|- 0.730686 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + F[C](F)F <=> FC(F)F + [CH2]C(F)F +barrier = 51.585057 kJ/mol +T1 = 0.015708369 + +Atom XYZ coordinates (angstrom) +F 1.715459 -0.960269 0.939695 +F 1.795793 1.112937 0.243801 +F -2.092535 0.999152 -0.504185 +F -1.155488 0.448741 1.3652 +F -2.172123 -1.04961 0.183239 +C 1.899667 -0.181474 -0.159681 +C -1.432195 0.048292 0.139702 +C 0.849799 -0.481647 -1.175161 +H 2.923273 -0.338116 -0.508185 +H -0.290723 -0.221377 -0.531697 +H 0.853509 0.194957 -2.023153 +H 0.786569 -1.530802 -1.443814 +""", +) + +entry( + index = 3649, + label = "C2H4Cl-3 + CH3Cl <=> C2H5Cl-3 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(5.78925e-05,'cm^3/(mol*s)'), n=4.82647, Ea=(29.7553,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.05904, dn = +|- 0.0948876, dEa = +|- 0.516375 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CCl + CCl <=> CCCl + [CH2]Cl +barrier = 52.127791 kJ/mol +T1 = 0.014738342 + +Atom XYZ coordinates (angstrom) +Cl -2.106274 0.4571 1.027767 +Cl 1.758064 0.180309 1.714694 +C -1.347693 -1.127812 0.637873 +C 1.243977 0.818333 0.165508 +C -0.520642 -1.031558 -0.60296 +H -0.747174 -1.399915 1.501781 +H -2.171616 -1.832531 0.537925 +H 0.391618 -0.077097 -0.326541 +H 0.677275 1.732765 0.287704 +H 2.073669 0.877077 -0.528619 +H 0.084456 -1.914233 -0.794848 +H -1.049033 -0.668634 -1.479359 +""", +) + +entry( + index = 3650, + label = "C2H3Cl2-3 + C3H8 <=> C2H4Cl2-3 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9.37447e-05,'cm^3/(mol*s)'), n=4.49902, Ea=(19.6714,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.64517, dn = +|- 0.065407, dEa = +|- 0.355943 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCC + [CH2]C(Cl)Cl <=> C[CH]C + CC(Cl)Cl +barrier = 37.695824 kJ/mol +T1 = 0.013443608000000001 + +Atom XYZ coordinates (angstrom) +Cl -0.392025 1.3899 0.825937 +Cl -2.506456 -0.629902 0.699278 +C -0.164978 -0.840059 -0.679543 +C -0.723546 -0.3512 0.602573 +C 2.840244 0.837046 -1.020861 +C 2.734387 -0.651391 1.049258 +C 2.49749 -0.507606 -0.433052 +H 1.210809 -0.658937 -0.591631 +H -0.466164 -0.259455 -1.545527 +H -0.274038 -1.91234 -0.811525 +H -0.310162 -0.855426 1.468448 +H 3.915059 1.027977 -0.946192 +H 2.324775 1.634369 -0.484403 +H 2.565052 0.899468 -2.073407 +H 2.218576 0.13699 1.600938 +H 2.392574 -1.617698 1.42216 +H 3.799908 -0.567881 1.282489 +H 2.88731 -1.344238 -1.012339 +""", +) + +entry( + index = 3651, + label = "C3H2F3-5 + H2-2 <=> C3H3F3-5 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1529.05,'cm^3/(mol*s)'), n=2.89384, Ea=(17.2339,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08583, dn = +|- 0.010819, dEa = +|- 0.0588766 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + CD[C]C(F)(F)F <=> CDCC(F)(F)F + [H] +barrier = 32.951318 kJ/mol +T1 = 0.016957636 + +Atom XYZ coordinates (angstrom) +F -0.987918 -0.476642 1.078495 +F -0.593136 1.298292 -0.082126 +F -0.978205 -0.579767 -1.071024 +C -0.371667 -0.021619 -0.017807 +C 1.078016 -0.346313 0.004305 +C 2.107235 0.45943 -0.029207 +H 1.313929 -1.757441 0.07208 +H 1.970884 1.535541 -0.080887 +H 3.120821 0.080039 -0.006566 +H 1.491067 -2.602434 0.11354 +""", +) + +entry( + index = 3652, + label = "CH3-2 + CHClF2-2 <=> CH4-2 + CClF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00105905,'cm^3/(mol*s)'), n=4.86567, Ea=(21.2832,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.14812, dn = +|- 0.100452, dEa = +|- 0.546658 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + FC(F)Cl <=> C + F[C](F)Cl +barrier = 45.189059 kJ/mol +T1 = 0.016493409 + +Atom XYZ coordinates (angstrom) +Cl -0.950579 -0.149902 1.378061 +F 0.028378 1.681699 -0.106965 +F -0.814535 0.001319 -1.166911 +C -0.128762 0.36183 -0.086677 +C 2.303078 -0.722167 -0.303824 +H 1.066756 -0.198303 -0.149711 +H 2.40013 -1.382135 0.550492 +H 2.256098 -1.22792 -1.261167 +H 2.957459 0.141455 -0.28282 +""", +) + +entry( + index = 3653, + label = "C2HF4-3 + HO2-4 <=> C2H2F4-3 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.55219,'cm^3/(mol*s)'), n=3.44916, Ea=(-2.09817,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04795, dn = +|- 0.00615376, dEa = +|- 0.0334885 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]C(F)(F)F + [O]O <=> FCC(F)(F)F + [O][O] +barrier = 7.400583 kJ/mol +T1 = 0.023411663 + +Atom XYZ coordinates (angstrom) +F 2.595522 -0.057015 -0.405803 +F 1.266821 1.597607 -0.762991 +F 0.453606 -0.368704 -0.386238 +F 2.359727 1.513292 1.84858 +O 1.082441 -1.586388 2.591387 +O -0.14496 -1.404955 2.89076 +C 1.427744 0.475789 -0.055601 +C 1.370804 0.741733 1.423191 +H 0.398279 0.952965 1.865471 +H 1.409551 -0.701267 2.096281 +""", +) + +entry( + index = 3654, + label = "Cl + CH3F <=> ClH + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(672497,'cm^3/(mol*s)'), n=2.62179, Ea=(-2.67265,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.15553, dn = +|- 0.0189926, dEa = +|- 0.103357 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + CF <=> Cl + [CH2]F +barrier = 2.383757 kJ/mol +T1 = 0.017269632 + +Atom XYZ coordinates (angstrom) +Cl 1.603646 -0.299992 0.000666 +F -1.880481 -0.530386 0.00012 +C -1.115565 0.559958 -1.3e-05 +H -1.163824 1.109478 -0.934949 +H -1.16423 1.109999 0.934593 +H 0.206518 0.131366 0.000372 +""", +) + +entry( + index = 3655, + label = "C2H2F3-4 + CH2F2 <=> C2H3F3-4 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8.10402e-08,'cm^3/(mol*s)'), n=5.92391, Ea=(29.8004,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.54639, dn = +|- 0.166318, dEa = +|- 0.905097 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + FC[C](F)F <=> FCC(F)F + F[CH]F +barrier = 57.545543 kJ/mol +T1 = 0.016118451000000002 + +Atom XYZ coordinates (angstrom) +F 1.740993 1.110109 0.960232 +F 1.093612 0.233653 -1.652416 +F 0.567556 -1.696549 -0.785445 +F -2.570633 -0.083011 -0.008753 +F -1.372703 0.139071 1.802776 +C 1.780082 -0.20751 0.569475 +C 0.760488 -0.398058 -0.518967 +C -1.530711 0.551595 0.537425 +H 1.526156 -0.842751 1.416871 +H 2.781503 -0.438931 0.199833 +H -0.408374 0.135707 -0.089056 +H -1.643216 1.633414 0.482784 +""", +) + +entry( + index = 3656, + label = "CH2F-2 + C2H4F2-2 <=> CH3F-2 + C2H3F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.0913e-06,'cm^3/(mol*s)'), n=5.46206, Ea=(29.9019,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.04901, dn = +|- 0.146465, dEa = +|- 0.797055 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [CH2]F <=> CF + C[C](F)F +barrier = 56.703615 kJ/mol +T1 = 0.01623592 + +Atom XYZ coordinates (angstrom) +F -1.762013 0.597703 1.339274 +F 1.569687 -1.418538 0.18541 +F 1.067125 -0.116557 -1.485845 +C 1.516531 0.910714 0.597642 +C -1.641849 -0.45508 0.482787 +C 0.967935 -0.258797 -0.148485 +H 1.388486 0.75088 1.665759 +H 0.979466 1.810306 0.305903 +H 2.577482 1.027346 0.369392 +H -2.232492 -0.298486 -0.415179 +H -1.808847 -1.397872 0.995599 +H -0.335307 -0.427397 0.111953 +""", +) + +entry( + index = 3657, + label = "C2H3 + C2HF5 <=> C2H4 + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00449664,'cm^3/(mol*s)'), n=4.59338, Ea=(8.05014,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.58947, dn = +|- 0.0608818, dEa = +|- 0.331316 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)(F)F + [CH]DC <=> CDC + F[C](F)C(F)(F)F +barrier = 25.244392 kJ/mol +T1 = 0.016087877 + +Atom XYZ coordinates (angstrom) +F 0.276115 1.516323 0.733282 +F -0.61161 1.358524 -1.25382 +F -2.173643 0.18656 0.720311 +F -1.350727 -1.221703 -0.693069 +F -0.487036 -1.038375 1.279849 +C -0.069196 0.676435 -0.245144 +C -1.047643 -0.366751 0.278847 +C 3.039029 -0.464464 0.162411 +C 2.255858 -0.456442 -0.888112 +H 1.022154 0.078053 -0.659649 +H 4.048243 -0.863273 0.115905 +H 2.711018 -0.073043 1.119159 +H 2.425297 -0.804311 -1.898083 +""", +) + +entry( + index = 3658, + label = "CF3-2 + C2H6O <=> CHF3-2 + C2H5O", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00164953,'cm^3/(mol*s)'), n=4.68875, Ea=(9.76508,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.64615, dn = +|- 0.0654848, dEa = +|- 0.356366 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + CCO <=> FC(F)F + C[CH]O +barrier = 26.073395 kJ/mol +T1 = 0.016481075 + +Atom XYZ coordinates (angstrom) +F -1.555187 1.318697 -0.372772 +F -1.034726 -0.034454 1.233146 +F -2.025093 -0.785919 -0.538909 +O 1.786209 -1.309754 0.265512 +C 1.487323 -0.246924 -0.571871 +C 2.014217 1.092321 -0.128427 +C -1.137346 0.088806 -0.092162 +H 0.230914 -0.121906 -0.583788 +H 1.752443 -0.527542 -1.588775 +H 1.614212 1.354704 0.853846 +H 1.718388 1.870934 -0.830288 +H 3.103288 1.073175 -0.062922 +H 1.635608 -1.050571 1.180195 +""", +) + +entry( + index = 3659, + label = "C2F3-2 + H2-2 <=> C2HF3-2 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(12900.2,'cm^3/(mol*s)'), n=2.71201, Ea=(16.4451,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05394, dn = +|- 0.00690262, dEa = +|- 0.0375638 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + F[C]DC(F)F <=> FCDC(F)F + [H] +barrier = 28.362175 kJ/mol +T1 = 0.019057419 + +Atom XYZ coordinates (angstrom) +F 1.82613 -0.574206 -0.041608 +F -0.933149 -1.205848 -0.137634 +F -1.379518 0.909848 0.088371 +C 0.845498 0.295268 0.043334 +C -0.433137 0.003261 -0.001003 +H 1.237316 1.704103 0.200446 +H 1.463733 2.510636 0.292809 +""", +) + +entry( + index = 3660, + label = "CH3-2 + C2H4Cl2-2 <=> CH4-2 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00532335,'cm^3/(mol*s)'), n=4.57744, Ea=(30.666,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.85663, dn = +|- 0.0812929, dEa = +|- 0.442393 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + CC(Cl)Cl <=> C + [CH2]C(Cl)Cl +barrier = 51.999411 kJ/mol +T1 = 0.014089508 + +Atom XYZ coordinates (angstrom) +Cl -0.046307 1.449645 0.533131 +Cl 1.9959 -0.493284 -0.257594 +C -0.651593 -0.842909 -0.757634 +C 0.283842 -0.281181 0.252538 +C -3.075312 -0.400274 0.296445 +H -1.865139 -0.649619 -0.263749 +H -0.555109 -1.918993 -0.870027 +H -0.639478 -0.310121 -1.7034 +H 0.20608 -0.768154 1.217413 +H -3.708176 -1.212146 -0.043441 +H -3.342731 0.573615 -0.096569 +H -2.879708 -0.402864 1.363233 +""", +) + +entry( + index = 3661, + label = "C2Cl3 + ClH-2 <=> C2HCl3 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1729.18,'cm^3/(mol*s)'), n=2.89204, Ea=(-3.12216,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0491, dn = +|- 0.00629787, dEa = +|- 0.0342728 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + Cl[C]DC(Cl)Cl <=> [Cl] + ClCDC(Cl)Cl +barrier = 2.906177 kJ/mol +T1 = 0.01794866 + +Atom XYZ coordinates (angstrom) +Cl -0.149497 2.236014 -0.058439 +Cl 0.44711 -2.012633 -0.031964 +Cl 2.46243 0.095246 0.004086 +Cl -2.876723 -0.410092 -0.108951 +C -0.152045 0.576756 -0.052866 +C 0.794077 -0.335002 -0.029961 +H -1.566843 0.040439 -0.081186 +""", +) + +entry( + index = 3662, + label = "C2Cl2F3-2 + CH2O <=> C2HCl2F3-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000144031,'cm^3/(mol*s)'), n=5.0402, Ea=(15.4889,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.07923, dn = +|- 0.0961701, dEa = +|- 0.523354 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)(F)[C](Cl)Cl + CDO <=> FC(F)(F)C(Cl)Cl + [CH]DO +barrier = 36.716748 kJ/mol +T1 = 0.01847347 + +Atom XYZ coordinates (angstrom) +Cl -0.387214 -1.235621 -1.485616 +Cl 0.083654 1.641957 -1.281923 +F 1.005239 -1.259595 1.125663 +F 2.334475 -0.266302 -0.25056 +F 1.332481 0.863112 1.288562 +O -3.112222 -0.315463 0.942776 +C 1.192694 -0.142645 0.42108 +C -0.005014 0.111964 -0.470513 +C -2.11082 0.206685 1.274286 +H -1.087228 0.205477 0.478711 +H -1.953563 0.710306 2.250261 +""", +) + +entry( + index = 3663, + label = "CFO-2 + H2O2 <=> CHFO-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9.36825e-05,'cm^3/(mol*s)'), n=4.86473, Ea=(8.36083,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.80022, dn = +|- 0.0772396, dEa = +|- 0.420335 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OD[C]F + OO <=> ODCF + [O]O +barrier = 31.762879 kJ/mol +T1 = 0.024898197 + +Atom XYZ coordinates (angstrom) +F -1.912828 -0.728271 -0.058169 +O 1.419896 -0.860839 -0.231008 +O 2.09473 0.260641 0.192833 +O -0.965325 1.274734 -0.118544 +C -0.889852 0.110581 -0.108458 +H 0.330032 -0.561247 -0.157045 +H 2.310741 0.724035 -0.62817 +""", +) + +entry( + index = 3664, + label = "CH3-2 + CH2F2 <=> CH4-2 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000119603,'cm^3/(mol*s)'), n=5.33723, Ea=(28.5848,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.95973, dn = +|- 0.14256, dEa = +|- 0.775808 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + [CH3] <=> C + F[CH]F +barrier = 57.238084 kJ/mol +T1 = 0.017229232 + +Atom XYZ coordinates (angstrom) +F 0.915724 -1.301695 0.510302 +F 1.020302 0.542213 -0.656269 +C 0.484416 -0.033604 0.430775 +C -2.121398 -0.250443 -0.145095 +H -0.817992 -0.089797 0.225257 +H 0.74552 0.521497 1.331589 +H -2.256172 -1.325898 -0.156225 +H -2.171537 0.21488 -1.122773 +H -2.69051 0.26211 0.622171 +""", +) + +entry( + index = 3665, + label = "C2ClF4 + CH3F <=> C2HClF4 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.28013e-06,'cm^3/(mol*s)'), n=5.51595, Ea=(29.6549,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.80276, dn = +|- 0.135401, dEa = +|- 0.736847 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[C](F)C(F)(F)Cl <=> [CH2]F + FC(F)C(F)(F)Cl +barrier = 54.395540 kJ/mol +T1 = 0.015807551 + +Atom XYZ coordinates (angstrom) +Cl 2.458374 0.224043 -0.220231 +F 0.118395 -0.687786 1.55555 +F -0.006971 1.44963 1.152023 +F 0.51417 -1.159451 -1.105482 +F 0.390315 0.96385 -1.506074 +F -2.61224 -0.313029 -1.505124 +C -0.140165 0.232809 0.630038 +C 0.738561 0.052688 -0.596763 +C -2.702981 -0.072296 -0.17788 +H -1.444838 0.082574 0.241562 +H -3.088757 -0.934698 0.358939 +H -3.199709 0.872919 0.023515 +""", +) + +entry( + index = 3666, + label = "C2H4Cl-3 + C3H8 <=> C2H5Cl-3 + C3H7", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00113155,'cm^3/(mol*s)'), n=4.64321, Ea=(27.5326,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.8185, dn = +|- 0.0785667, dEa = +|- 0.427557 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCC + [CH2]CCl <=> C[CH]C + CCCl +barrier = 45.620055 kJ/mol +T1 = 0.013616395 + +Atom XYZ coordinates (angstrom) +Cl 3.876875 -0.082114 -0.309897 +C 1.393202 -1.049334 0.340728 +C 2.091047 0.193362 -0.079573 +C -1.641891 -0.538085 -1.014443 +C -1.104734 1.178823 0.791164 +C -1.181951 -0.273713 0.39607 +H 0.064908 -0.703464 0.431185 +H 1.392486 -1.842985 -0.400385 +H 1.646287 -1.401734 1.335672 +H 1.735491 0.5647 -1.036819 +H 2.017891 0.98208 0.66324 +H -1.619226 -1.600725 -1.254249 +H -1.005872 -0.014813 -1.732167 +H -2.664733 -0.18232 -1.169546 +H -2.096465 1.640666 0.790195 +H -0.48854 1.740088 0.084922 +H -0.681403 1.305695 1.787716 +H -1.671932 -0.900301 1.139571 +""", +) + +entry( + index = 3667, + label = "CH2F-2 + CH4O <=> CH3F-2 + CH3O", + degeneracy = 3.0, + kinetics = Arrhenius(A=(7.20575e-07,'cm^3/(mol*s)'), n=5.28616, Ea=(27.2605,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.86071, dn = +|- 0.13809, dEa = +|- 0.751479 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CO + [CH2]F <=> CF + [CH2]O +barrier = 55.556197 kJ/mol +T1 = 0.017864373 + +Atom XYZ coordinates (angstrom) +F 1.066781 1.600959 -0.638709 +O -1.743945 0.931902 -0.080299 +C 1.31327 0.586201 0.250018 +C -1.134052 -0.306953 -0.183695 +H 1.39459 0.973308 1.260837 +H 2.138888 -0.029775 -0.092743 +H 0.120824 -0.137777 0.155346 +H -1.095316 -0.713086 -1.195896 +H -1.570361 -0.994539 0.534258 +H -1.294306 1.550307 -0.664476 +""", +) + +entry( + index = 3668, + label = "C2HCl2 + H2-2 <=> C2H2Cl2 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4437.61,'cm^3/(mol*s)'), n=2.75314, Ea=(18.0793,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05319, dn = +|- 0.00680891, dEa = +|- 0.0370538 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + [CH]DC(Cl)Cl <=> [H] + CDC(Cl)Cl +barrier = 32.327278 kJ/mol +T1 = 0.018292843 + +Atom XYZ coordinates (angstrom) +Cl -1.260999 -0.788682 0.136074 +Cl 1.591596 -0.383323 -0.238067 +C -0.134431 1.640077 0.041086 +C 0.030573 0.345832 -0.011197 +H -1.490656 2.080345 0.232621 +H 0.591856 2.431905 -0.038286 +H -2.30818 2.301547 0.348008 +""", +) + +entry( + index = 3669, + label = "CHCl2-2 + CH4O2-3 <=> CH2Cl2-2 + CH3O2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.44309e-05,'cm^3/(mol*s)'), n=4.63574, Ea=(5.77254,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.60092, dn = +|- 0.0618249, dEa = +|- 0.336449 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: COO + Cl[CH]Cl <=> CO[O] + ClCCl +barrier = 28.589402 kJ/mol +T1 = 0.021707893 + +Atom XYZ coordinates (angstrom) +Cl -0.310896 1.431482 0.99478 +Cl -1.295454 -0.180477 -1.244351 +O 2.335836 -0.23997 0.67772 +O 1.497644 -1.30463 0.479978 +C 2.701054 0.291131 -0.586451 +C -0.731048 -0.136893 0.398074 +H 3.182733 -0.477673 -1.189208 +H 1.819645 0.677165 -1.102048 +H 3.39361 1.10182 -0.372144 +H 0.445983 -0.834763 0.429931 +H -1.400982 -0.660157 1.069209 +""", +) + +entry( + index = 3670, + label = "C2H4Cl-3 + C2H6 <=> C2H5Cl-3 + C2H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.00107793,'cm^3/(mol*s)'), n=4.7178, Ea=(37.8613,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.94856, dn = +|- 0.0876423, dEa = +|- 0.476946 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC + [CH2]CCl <=> C[CH2] + CCCl +barrier = 57.970318 kJ/mol +T1 = 0.014036986000000001 + +Atom XYZ coordinates (angstrom) +Cl 2.422621 -0.279413 0.273333 +C 0.032947 0.031466 -1.03 +C 0.632078 0.02791 0.332341 +C -2.792018 -0.14639 0.791652 +C -2.56854 0.507096 -0.546599 +H -1.275967 0.296358 -0.847168 +H 0.044731 -0.93183 -1.530975 +H 0.375239 0.838138 -1.671109 +H 0.225596 -0.758792 0.960928 +H 0.520945 0.984573 0.834811 +H -2.558135 -1.211114 0.755306 +H -3.831472 -0.052894 1.115443 +H -2.17095 0.308351 1.564329 +H -3.092269 0.0481 -1.380667 +H -2.657673 1.590101 -0.556579 +""", +) + +entry( + index = 3671, + label = "C2H3 + C2H4F2 <=> C2H4 + C2H3F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000961544,'cm^3/(mol*s)'), n=4.59729, Ea=(18.8985,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.69451, dn = +|- 0.0692894, dEa = +|- 0.37707 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [CH]DC <=> CDC + [CH2]C(F)F +barrier = 36.755555 kJ/mol +T1 = 0.015956944 + +Atom XYZ coordinates (angstrom) +F 2.398019 -0.064311 0.353807 +F 0.714228 1.162776 -0.299248 +C 0.399458 -1.153004 -0.247831 +C 1.036205 0.031066 0.39117 +C -2.516684 0.629172 -0.025866 +C -2.195668 -0.637207 0.100065 +H -0.891493 -0.960075 -0.112322 +H 0.601739 -2.080466 0.278158 +H 0.588438 -1.208014 -1.315719 +H 0.74613 0.183913 1.431051 +H -1.78068 1.376953 -0.29737 +H -3.534476 0.973597 0.134093 +H -2.826993 -1.476612 0.362381 +""", +) + +entry( + index = 3672, + label = "Cl + C2HClF4-2 <=> ClH + C2ClF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(151721,'cm^3/(mol*s)'), n=2.73422, Ea=(1.98623,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.22377, dn = +|- 0.0265303, dEa = +|- 0.144377 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + FC(F)C(F)(F)Cl <=> Cl + F[C](F)C(F)(F)Cl +barrier = 6.841289 kJ/mol +T1 = 0.015803811 + +Atom XYZ coordinates (angstrom) +Cl 2.403617 0.107265 0.002743 +Cl -2.818373 -0.55131 -0.005367 +F -0.181325 1.402004 -1.083313 +F -0.184675 1.397273 1.086088 +F 0.536149 -1.236381 -1.084975 +F 0.532644 -1.241246 1.078325 +C -0.248388 0.664422 -0.000315 +C 0.746762 -0.498286 -0.001313 +H -1.488066 0.046216 -0.003486 +""", +) + +entry( + index = 3673, + label = "CH3-2 + CH2Cl2 <=> CH4-2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0139741,'cm^3/(mol*s)'), n=4.59982, Ea=(15.5349,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.79979, dn = +|- 0.077208, dEa = +|- 0.420163 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + ClCCl <=> C + Cl[CH]Cl +barrier = 37.757865 kJ/mol +T1 = 0.016055645 + +Atom XYZ coordinates (angstrom) +Cl 1.711994 0.215535 0.011248 +Cl -0.987263 1.366885 -0.022929 +C -0.90572 -2.183389 -0.151346 +C 0.085276 0.161107 0.652567 +H -0.274513 -2.934004 0.309488 +H -0.779206 -2.080882 -1.222978 +H -1.935572 -2.180253 0.185744 +H -0.401743 -0.990387 0.315442 +H 0.100709 0.229393 1.733221 +""", +) + +entry( + index = 3674, + label = "O + C2HF3O <=> HO-2 + C2F3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(59021,'cm^3/(mol*s)'), n=2.82899, Ea=(9.45209,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.37957, dn = +|- 0.0422744, dEa = +|- 0.230056 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCC(F)(F)F + [O] <=> [OH] + OD[C]C(F)(F)F +barrier = 19.294623 kJ/mol +T1 = 0.027233612999999997 + +Atom XYZ coordinates (angstrom) +F 0.724041 -1.132126 -0.9027 +F 1.743451 0.614328 -0.145965 +F 0.627275 -0.65343 1.199737 +O -0.671156 1.784488 -0.626726 +O -2.633481 -0.837924 0.202493 +C 0.668285 -0.138965 -0.023746 +C -0.631583 0.669688 -0.268327 +H -1.626691 -0.022657 -0.038149 +""", +) + +entry( + index = 3675, + label = "O + C2H5Cl-2 <=> HO-2 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(57.7412,'cm^3/(mol*s)'), n=3.66129, Ea=(19.8124,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.9938, dn = +|- 0.0906576, dEa = +|- 0.493356 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + CCCl <=> [OH] + [CH2]CCl +barrier = 37.368669 kJ/mol +T1 = 0.018672753 + +Atom XYZ coordinates (angstrom) +Cl 1.330308 -0.300017 -0.275283 +O -1.828297 -1.228811 0.631964 +C 0.290093 1.055568 0.259197 +C -1.075968 0.945315 -0.336388 +H 0.788313 1.971916 -0.055664 +H 0.25955 1.022352 1.344424 +H -1.105014 0.823726 -1.414796 +H -1.789651 1.671883 0.04453 +H -1.540427 -0.185656 0.100589 +""", +) + +entry( + index = 3676, + label = "H + C2H4F2-3 <=> H2 + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(712.112,'cm^3/(mol*s)'), n=3.34957, Ea=(19.6195,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.01597, dn = +|- 0.0921103, dEa = +|- 0.501261 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + [H] <=> [H][H] + F[CH]CF +barrier = 39.319477 kJ/mol +T1 = 0.016808736 + +Atom XYZ coordinates (angstrom) +F 1.412171 -0.560219 0.167882 +F -1.509089 -0.653718 -0.069937 +C 0.595165 0.382795 -0.359837 +C -0.737384 0.432989 0.30477 +H 1.15202 1.552632 -0.082482 +H 0.583904 0.317103 -1.445591 +H -1.261724 1.34195 0.006807 +H -0.62139 0.407907 1.388419 +H 1.569587 2.379204 0.168639 +""", +) + +entry( + index = 3677, + label = "CF3-2 + CH3F <=> CHF3-2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3.0289e-05,'cm^3/(mol*s)'), n=4.82368, Ea=(23.3143,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.34455, dn = +|- 0.158619, dEa = +|- 0.8632 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[C](F)F <=> FC(F)F + [CH2]F +barrier = 50.798770 kJ/mol +T1 = 0.016677129 + +Atom XYZ coordinates (angstrom) +F 2.186183 0.458778 0.986732 +F -1.520187 -0.747787 -0.905672 +F -1.412176 -0.248742 1.195844 +F -1.146956 1.293574 -0.297031 +C 1.742341 -0.395452 0.033764 +C -0.924383 0.022151 -0.004331 +H 0.444473 -0.230934 -0.022942 +H 2.125321 -0.125453 -0.947054 +H 1.904556 -1.430029 0.325164 +""", +) + +entry( + index = 3678, + label = "CH2Cl-2 + CH2Cl2 <=> CH3Cl-2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.70746e-05,'cm^3/(mol*s)'), n=4.88019, Ea=(23.2358,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.17754, dn = +|- 0.102239, dEa = +|- 0.556383 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClCCl + [CH2]Cl <=> Cl[CH]Cl + CCl +barrier = 47.388674 kJ/mol +T1 = 0.016306275 + +Atom XYZ coordinates (angstrom) +Cl -2.139727 -0.085095 -0.518376 +Cl 1.378423 1.296255 -0.61965 +Cl 1.277181 -1.51685 0.203975 +C -1.555674 0.352703 1.059688 +C 1.076178 0.153469 0.662019 +H -0.205782 0.285779 0.959261 +H -1.828283 -0.378357 1.811143 +H -1.780173 1.383717 1.30473 +H 1.662927 0.389659 1.541083 +""", +) + +entry( + index = 3679, + label = "CH2Cl-2 + CH4O2-3 <=> CH3Cl-2 + CH3O2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.86806e-05,'cm^3/(mol*s)'), n=4.38163, Ea=(4.90341,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47295, dn = +|- 0.0508793, dEa = +|- 0.276883 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: COO + [CH2]Cl <=> CO[O] + CCl +barrier = 28.737186 kJ/mol +T1 = 0.022469131 + +Atom XYZ coordinates (angstrom) +Cl -1.043 0.859645 0.659631 +O 1.782727 -0.513214 0.469061 +O 1.310937 -1.090186 -0.686425 +C 2.468425 0.678072 0.127646 +C -0.978598 -0.032952 -0.818923 +H 2.848831 1.075215 1.066278 +H 3.287995 0.457772 -0.555605 +H 1.780205 1.393361 -0.327256 +H 0.26014 -0.645226 -0.806052 +H -1.678095 -0.859363 -0.834518 +H -0.973493 0.607407 -1.692056 +""", +) + +entry( + index = 3680, + label = "CH3-2 + C2H5Cl-2 <=> CH4-2 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00805706,'cm^3/(mol*s)'), n=4.62824, Ea=(34.0244,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.94831, dn = +|- 0.0876258, dEa = +|- 0.476856 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + CCCl <=> C + [CH2]CCl +barrier = 55.549370 kJ/mol +T1 = 0.014560453999999999 + +Atom XYZ coordinates (angstrom) +Cl 1.998764 0.382172 0.123148 +C -0.552936 -0.596437 0.204514 +C 0.214881 0.660789 -0.027196 +C -3.125731 0.12715 -0.08147 +H -1.816356 -0.265795 0.06938 +H -0.478033 -0.985671 1.215624 +H -0.388802 -1.364699 -0.545347 +H -0.023909 1.4284 0.702887 +H 0.063745 1.055977 -1.027323 +H -3.268523 0.885743 0.679923 +H -3.178671 0.503163 -1.097043 +H -3.69555 -0.779681 0.084945 +""", +) + +entry( + index = 3681, + label = "CH3-2 + CHFO <=> CH4-2 + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00192763,'cm^3/(mol*s)'), n=4.93778, Ea=(25.0671,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.32648, dn = +|- 0.110931, dEa = +|- 0.603684 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCF + [CH3] <=> C + OD[C]F +barrier = 50.127656 kJ/mol +T1 = 0.02147778 + +Atom XYZ coordinates (angstrom) +F -0.907116 0.274039 -1.386235 +O -1.40246 -0.251119 0.704364 +C 2.075676 0.128094 0.148533 +C -0.601888 -0.00104 -0.110258 +H 2.432133 -0.542027 -0.624955 +H 2.247263 -0.213062 1.162564 +H 2.296797 1.17498 -0.023457 +H 0.713177 0.06218 0.029702 +""", +) + +entry( + index = 3682, + label = "C2ClF4 + H2O2 <=> C2HClF4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.64321e-05,'cm^3/(mol*s)'), n=4.8131, Ea=(7.42453,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.72358, dn = +|- 0.0715237, dEa = +|- 0.389229 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)Cl + OO <=> FC(F)C(F)(F)Cl + [O]O +barrier = 29.887314 kJ/mol +T1 = 0.018418451000000002 + +Atom XYZ coordinates (angstrom) +Cl 2.255127 0.015653 0.513445 +F 0.712423 -1.238736 -1.072196 +F 0.034601 -1.136562 0.979581 +F 0.237702 1.426868 -1.380077 +F -0.387026 1.558189 0.699823 +O -2.49672 -0.282673 -0.66031 +O -2.951217 -0.209842 0.640469 +C 0.635345 -0.453945 -0.00102 +C -0.226872 0.759013 -0.33896 +H -1.484827 0.222197 -0.631246 +H -2.695622 -1.063823 1.016481 +""", +) + +entry( + index = 3683, + label = "CF3-2 + HO2-4 <=> CHF3-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(65.2819,'cm^3/(mol*s)'), n=3.36263, Ea=(0.558479,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03758, dn = +|- 0.00484612, dEa = +|- 0.0263724 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + [O]O <=> FC(F)F + [O][O] +barrier = 6.910087 kJ/mol +T1 = 0.024393187 + +Atom XYZ coordinates (angstrom) +F -1.168555 0.649534 -1.262376 +F -1.105368 -1.168347 -0.087003 +F -1.116206 0.758567 0.899927 +O 1.930021 -0.068103 0.172063 +O 1.918315 -0.653899 1.314549 +C -0.738134 0.086607 -0.15857 +H 0.938235 0.067844 -0.103847 +""", +) + +entry( + index = 3684, + label = "C2H4Cl-3 + C2H5Cl <=> C2H5Cl-3 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000188772,'cm^3/(mol*s)'), n=4.68899, Ea=(22.3785,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.86957, dn = +|- 0.0822059, dEa = +|- 0.447362 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCCl + [CH2]CCl <=> C[CH]Cl + CCCl +barrier = 41.783725 kJ/mol +T1 = 0.014346952 + +Atom XYZ coordinates (angstrom) +Cl -3.052283 -0.627457 -0.258961 +Cl 1.944298 -0.866652 1.319487 +C -0.928446 0.95457 0.388021 +C -1.30502 -0.474849 0.216529 +C 2.319309 1.111713 -0.532653 +C 1.716622 0.807088 0.805656 +H 0.40674 0.931603 0.670607 +H -0.979929 1.551471 -0.518072 +H -1.373888 1.448049 1.246124 +H -1.196369 -1.045516 1.132979 +H -0.742808 -0.960394 -0.57586 +H 1.901545 0.457763 -1.29819 +H 2.103996 2.146234 -0.802439 +H 3.401728 0.974698 -0.521685 +H 1.99437 1.470302 1.617986 +""", +) + +entry( + index = 3685, + label = "C2HF4-4 + CH2F2 <=> C2H2F4-4 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.55621e-07,'cm^3/(mol*s)'), n=5.91675, Ea=(26.5884,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.51517, dn = +|- 0.165156, dEa = +|- 0.898774 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + F[C](F)C(F)F <=> FC(F)C(F)F + F[CH]F +barrier = 54.037089 kJ/mol +T1 = 0.016109379 + +Atom XYZ coordinates (angstrom) +F -0.71179 -1.121229 1.624373 +F -0.813071 1.054266 1.678764 +F -1.486989 1.109177 -0.952572 +F -1.336573 -1.071216 -1.0449 +F 1.813328 0.886903 -1.208572 +F 2.237237 -1.108256 -0.434579 +C -0.626761 -0.008869 0.891415 +C -1.628392 -0.027574 -0.245608 +C 1.886709 0.137142 -0.10758 +H 0.646382 0.065092 0.385381 +H -2.660591 -0.113983 0.102838 +H 2.568934 0.566573 0.625736 +""", +) + +entry( + index = 3686, + label = "O + C2H4Cl2-2 <=> HO-2 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(60.2202,'cm^3/(mol*s)'), n=3.65704, Ea=(19.8656,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.00182, dn = +|- 0.0911852, dEa = +|- 0.496226 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O] + CC(Cl)Cl <=> [OH] + [CH2]C(Cl)Cl +barrier = 37.097633 kJ/mol +T1 = 0.01808333 + +Atom XYZ coordinates (angstrom) +Cl -0.962514 -1.617239 0.880573 +Cl -2.293951 0.816353 -0.069305 +O 2.144779 -1.103424 -0.223627 +C -0.829678 -0.206972 -0.19178 +C 0.369908 0.60785 0.155677 +H -0.801058 -0.583248 -1.207058 +H 0.425998 0.902476 1.19879 +H 0.58173 1.404733 -0.551141 +H 1.364585 -0.22043 0.007971 +""", +) + +entry( + index = 3687, + label = "C2H3F2-5 + HO2-4 <=> C2H4F2-5 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.79818,'cm^3/(mol*s)'), n=3.34555, Ea=(-5.58839,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.11344, dn = +|- 0.0141177, dEa = +|- 0.0768279 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]CF + [O]O <=> FCCF + [O][O] +barrier = 1.423919 kJ/mol +T1 = 0.025125162000000003 + +Atom XYZ coordinates (angstrom) +F 2.479403 -0.690876 -0.047306 +F 0.659385 1.609557 -0.119462 +O -2.001485 -0.283486 0.043052 +O -1.847831 -1.240016 -0.789562 +C 1.104893 -0.721764 -0.238036 +C 0.483907 0.425189 0.477548 +H 0.904222 -0.660865 -1.306931 +H 0.723289 -1.663261 0.155008 +H 0.569878 0.497216 1.558797 +H -1.012065 0.079454 0.299125 +""", +) + +entry( + index = 3688, + label = "CH3-2 + C2HCl2F3 <=> CH4-2 + C2Cl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.215067,'cm^3/(mol*s)'), n=4.16365, Ea=(6.53903,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.3555, dn = +|- 0.039962, dEa = +|- 0.217472 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)(F)C(Cl)Cl + [CH3] <=> FC(F)(F)[C](Cl)Cl + C +barrier = 24.067175 kJ/mol +T1 = 0.015031136 + +Atom XYZ coordinates (angstrom) +Cl 1.336418 0.891186 -1.129564 +Cl 1.231297 -1.010695 1.087448 +F -1.556268 1.152127 -0.535388 +F -1.633182 -0.248551 1.098526 +F -0.483689 1.565067 1.288355 +C -0.840936 0.600914 0.444862 +C -0.786202 -1.973744 -1.731449 +C 0.346896 -0.146155 -0.139656 +H -0.188993 -1.032282 -0.921911 +H -1.395089 -2.540851 -1.037404 +H 0.067659 -2.503905 -2.136602 +H -1.336662 -1.3711 -2.444042 +""", +) + +entry( + index = 3689, + label = "CH3-2 + CH3F <=> CH4-2 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00025499,'cm^3/(mol*s)'), n=5.16834, Ea=(34.7696,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.78, dn = +|- 0.13433, dEa = +|- 0.731017 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + [CH3] <=> C + [CH2]F +barrier = 62.704614 kJ/mol +T1 = 0.017165178 + +Atom XYZ coordinates (angstrom) +F 1.143717 -0.572446 -0.63185 +C 0.592874 0.489946 0.020552 +C -2.006958 -0.159571 0.019718 +H -0.700878 0.249605 0.064333 +H 0.948642 0.536937 1.046773 +H 0.733541 1.405306 -0.548859 +H -2.509719 0.584183 -0.587961 +H -1.944615 -1.13898 -0.440686 +H -2.328256 -0.175944 1.054998 +""", +) + +entry( + index = 3690, + label = "HO + C2H3F3 <=> H2O + C2H2F3", + degeneracy = 3.0, + kinetics = Arrhenius(A=(25.5639,'cm^3/(mol*s)'), n=3.68129, Ea=(4.03666,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.27363, dn = +|- 0.0317775, dEa = +|- 0.172932 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)(F)F + [OH] <=> O + [CH2]C(F)(F)F +barrier = 18.428755 kJ/mol +T1 = 0.019037846 + +Atom XYZ coordinates (angstrom) +F 0.229099 -1.067827 0.727206 +F 0.727216 -0.326207 -1.234521 +F 1.774494 0.418833 0.495006 +O -2.521841 -0.120743 -0.40322 +C -0.449115 1.114413 0.199734 +C 0.573924 0.036432 0.041573 +H -1.516777 0.636509 -0.140735 +H -0.561951 1.412083 1.236744 +H -0.269882 1.945782 -0.474287 +H -2.170559 -0.970946 -0.091638 +""", +) + +entry( + index = 3691, + label = "CH3O-3 + C2H5Cl-2 <=> CH4O-3 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00178414,'cm^3/(mol*s)'), n=4.51708, Ea=(17.7469,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.72576, dn = +|- 0.0716902, dEa = +|- 0.390135 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[O] + CCCl <=> CO + [CH2]CCl +barrier = 36.965353 kJ/mol +T1 = 0.018798247 + +Atom XYZ coordinates (angstrom) +Cl -2.457395 0.000443 -0.204251 +O 2.366374 -0.34632 0.590218 +C -0.763382 0.100273 0.40908 +C 2.862059 0.525498 -0.381954 +C 0.097689 -0.9012 -0.29234 +H -0.435555 1.119721 0.229859 +H -0.812889 -0.080492 1.47771 +H 2.222304 1.401839 -0.525475 +H 3.826444 0.877652 -0.003117 +H 3.034586 0.03119 -1.341671 +H 0.203968 -0.724918 -1.359777 +H -0.145512 -1.936053 -0.067761 +H 1.238856 -0.739477 0.18239 +""", +) + +entry( + index = 3692, + label = "O + C2HF5 <=> HO-2 + C2F5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.456928,'cm^3/(mol*s)'), n=4.16696, Ea=(24.0087,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.74611, dn = +|- 0.132718, dEa = +|- 0.722249 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)(F)F + [O] <=> [OH] + F[C](F)C(F)(F)F +barrier = 46.246235 kJ/mol +T1 = 0.01915265 + +Atom XYZ coordinates (angstrom) +F -0.749874 1.277014 -0.809812 +F -1.692351 -0.645982 -0.540389 +F -1.153221 0.538965 1.181224 +F 0.603754 -1.518428 0.780926 +F 1.010069 -0.77437 -1.221423 +O 2.166928 1.243182 0.942512 +C -0.792364 0.196217 -0.04588 +C 0.591595 -0.459678 -0.008738 +H 1.417976 0.433423 0.490824 +""", +) + +entry( + index = 3693, + label = "C2H2F3-6 + CH2F2 <=> C2H3F3-6 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.59525e-06,'cm^3/(mol*s)'), n=5.30351, Ea=(23.2009,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.67932, dn = +|- 0.129483, dEa = +|- 0.704644 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + [CH2]C(F)(F)F <=> CC(F)(F)F + F[CH]F +barrier = 49.180545 kJ/mol +T1 = 0.015866105 + +Atom XYZ coordinates (angstrom) +F -2.525818 -0.301099 -0.378232 +F -1.247841 -0.507817 1.345897 +F -1.141045 1.270922 0.129403 +F 2.550472 1.069619 -0.217025 +F 2.827725 -0.954919 0.547528 +C -1.287719 -0.061982 0.079168 +C 2.006061 0.09959 0.522758 +C -0.226899 -0.694484 -0.748499 +H 1.769828 0.448045 1.527785 +H 0.923215 -0.285484 -0.093716 +H -0.219163 -1.775958 -0.690177 +H -0.14942 -0.28003 -1.746288 +""", +) + +entry( + index = 3694, + label = "C2H4Cl-3 + CH2O <=> C2H5Cl-3 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000129039,'cm^3/(mol*s)'), n=4.9181, Ea=(11.8339,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.98382, dn = +|- 0.0899987, dEa = +|- 0.489769 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDO + [CH2]CCl <=> [CH]DO + CCCl +barrier = 35.650950 kJ/mol +T1 = 0.021009153 + +Atom XYZ coordinates (angstrom) +Cl -1.105644 -0.702299 -0.535717 +O 2.603328 -0.686323 0.445791 +C 0.174713 1.610259 0.080286 +C -0.737317 0.59139 0.671517 +C 2.088666 -0.208304 -0.50748 +H 1.285262 0.777136 -0.366411 +H -0.181479 2.099379 -0.820078 +H 0.65176 2.270204 0.798327 +H -0.286288 0.090001 1.524041 +H -1.705096 0.994453 0.965084 +H 2.206321 -0.605347 -1.536851 +""", +) + +entry( + index = 3695, + label = "HO + CH3Cl <=> H2O + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1721.69,'cm^3/(mol*s)'), n=3.16742, Ea=(-0.601164,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04987, dn = +|- 0.00639364, dEa = +|- 0.034794 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CCl <=> O + [CH2]Cl +barrier = 8.932829 kJ/mol +T1 = 0.024131279 + +Atom XYZ coordinates (angstrom) +Cl 0.876624 -0.474076 0.300214 +O -2.423569 0.099953 -0.157323 +C -0.060109 0.992864 0.050336 +H -1.1906 0.691446 -0.060449 +H 0.233834 1.473661 -0.875565 +H 0.014086 1.638803 0.917586 +H -2.11241 -0.812122 -0.03611 +""", +) + +entry( + index = 3696, + label = "CFO-2 + CH2F2 <=> CHFO-2 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.00907e-07,'cm^3/(mol*s)'), n=5.97663, Ea=(32.0315,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.72034, dn = +|- 0.172609, dEa = +|- 0.939331 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + OD[C]F <=> ODCF + F[CH]F +barrier = 60.740493 kJ/mol +T1 = 0.019824166 + +Atom XYZ coordinates (angstrom) +F 1.728541 -0.121514 0.87465 +F -1.864787 0.311456 0.712423 +F -1.395363 -1.621568 -0.181047 +O 1.95099 0.847104 -1.103782 +C -1.353075 -0.301294 -0.354144 +C 1.285487 0.315938 -0.304048 +H -0.046202 0.03517 -0.395566 +H -1.847446 0.004664 -1.275875 +""", +) + +entry( + index = 3697, + label = "CHCl2-2 + H2O2 <=> CH2Cl2-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6.26294e-06,'cm^3/(mol*s)'), n=4.97014, Ea=(10.043,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.01906, dn = +|- 0.0923121, dEa = +|- 0.502359 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + Cl[CH]Cl <=> [O]O + ClCCl +barrier = 36.939094 kJ/mol +T1 = 0.021409 + +Atom XYZ coordinates (angstrom) +Cl 1.426413 0.781653 -0.640146 +Cl 0.010688 -1.586563 0.324281 +O -2.128705 0.608681 -0.781576 +O -1.776839 1.130971 0.440874 +C 0.471749 0.063466 0.609498 +H -0.695905 0.727484 0.604662 +H 0.90656 0.197397 1.592577 +H -2.57262 -0.221473 -0.557605 +""", +) + +entry( + index = 3698, + label = "CH2Cl-2 + C3H6 <=> CH3Cl-2 + C3H5", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.8183e-05,'cm^3/(mol*s)'), n=4.91044, Ea=(26.5939,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.27024, dn = +|- 0.107716, dEa = +|- 0.586188 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCC + [CH2]Cl <=> [CH2]CDC + CCl +barrier = 51.189633 kJ/mol +T1 = 0.016309617 + +Atom XYZ coordinates (angstrom) +Cl -1.267583 -0.349339 -1.392298 +C -1.170455 0.633306 0.040643 +C 2.096656 -0.008922 -0.38077 +C 1.46832 1.212551 0.122348 +C 2.621597 -0.959012 0.393888 +H 0.210245 0.998568 0.122621 +H -1.359677 0.062289 0.940472 +H -1.718669 1.561027 -0.060297 +H 2.084048 -0.156267 -1.455269 +H 1.553508 2.082176 -0.523548 +H 1.687589 1.442953 1.162177 +H 3.04082 -1.86256 -0.025308 +H 2.651815 -0.8509 1.471488 +""", +) + +entry( + index = 3699, + label = "F + C3H2F4-3 <=> FH + C3HF4-3", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.04038e+07,'cm^3/(mol*s)'), n=2.03069, Ea=(-0.348524,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05146, dn = +|- 0.00659297, dEa = +|- 0.0358787 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDC(F)C(F)(F)F + [F] <=> F + [CH]DC(F)C(F)(F)F +barrier = 0.846413 kJ/mol +T1 = 0.022779636000000002 + +Atom XYZ coordinates (angstrom) +F 1.765831 0.414629 -0.97494 +F 1.346152 -1.415402 0.090247 +F 1.54389 0.446141 1.164525 +F -0.657027 1.434481 -0.164215 +F -3.334445 -0.04474 0.439427 +C 1.091054 -0.111494 0.044313 +C -0.391394 0.1421 -0.110428 +C -1.30722 -0.796499 -0.219732 +H -1.122494 -1.849181 -0.083839 +H -2.388469 -0.467927 -0.430634 +""", +) + +entry( + index = 3700, + label = "C2H3Cl2-4 + CH4O2-3 <=> C2H4Cl2-4 + CH3O2-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.97388e-05,'cm^3/(mol*s)'), n=4.47751, Ea=(5.07835,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47701, dn = +|- 0.0512406, dEa = +|- 0.27885 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: COO + Cl[CH]CCl <=> CO[O] + ClCCCl +barrier = 26.348637 kJ/mol +T1 = 0.020417624 + +Atom XYZ coordinates (angstrom) +Cl -0.311294 -0.28095 -1.49715 +Cl -2.944539 -0.524352 0.754236 +O 2.410553 -1.316079 -0.194362 +O 1.955762 -0.687151 0.936546 +C -0.339467 0.053701 0.206036 +C -1.195337 -0.854267 1.019077 +C 3.198953 -0.39897 -0.936093 +H 0.917772 -0.263942 0.626201 +H -0.44311 1.11621 0.398473 +H -1.021632 -1.894371 0.76119 +H -1.004372 -0.696726 2.077185 +H 3.538579 -0.949792 -1.810297 +H 4.047173 -0.06717 -0.338591 +H 2.594229 0.455193 -1.243569 +""", +) + +entry( + index = 3701, + label = "Cl + CH2F2 <=> ClH + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(248383,'cm^3/(mol*s)'), n=2.67233, Ea=(-0.695785,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.17865, dn = +|- 0.0215952, dEa = +|- 0.11752 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [Cl] + FCF <=> Cl + F[CH]F +barrier = 4.835359 kJ/mol +T1 = 0.017212798999999997 + +Atom XYZ coordinates (angstrom) +Cl 2.259632 -0.524809 -0.112579 +F -0.737394 1.123598 -0.572647 +F -1.127967 -1.01189 -0.555148 +C -0.533248 -0.012072 0.063552 +H 0.822074 -0.26057 -0.001682 +H -0.760047 0.038137 1.128408 +""", +) + +entry( + index = 3702, + label = "CH3-2 + ClHO <=> CH4-2 + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.101856,'cm^3/(mol*s)'), n=4.29478, Ea=(6.96757,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.45687, dn = +|- 0.0494371, dEa = +|- 0.269035 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OCl + [CH3] <=> [O]Cl + C +barrier = 30.249620 kJ/mol +T1 = 0.020427002 + +Atom XYZ coordinates (angstrom) +Cl 1.122339 0.184134 0.558353 +O 0.08342 0.674552 -0.6233 +C -2.110292 -0.333466 0.034144 +H -2.820583 -0.028543 -0.725505 +H -2.270913 0.103934 1.012897 +H -1.874823 -1.391563 0.042273 +H -0.994111 0.210662 -0.348724 +""", +) + +entry( + index = 3703, + label = "C2HF4-3 + CH3F <=> C2H2F4-3 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.95975e-06,'cm^3/(mol*s)'), n=5.35159, Ea=(33.6113,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.77051, dn = +|- 0.13388, dEa = +|- 0.728572 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[CH]C(F)(F)F <=> FCC(F)(F)F + [CH2]F +barrier = 58.863790 kJ/mol +T1 = 0.015746084 + +Atom XYZ coordinates (angstrom) +F -0.354431 1.933591 -0.035099 +F -2.254088 -0.085072 0.422299 +F -0.631276 -1.509898 0.5174 +F -1.02802 -0.427895 -1.312919 +F 3.247425 0.098075 0.205396 +C -0.028766 0.723815 0.466424 +C -1.003938 -0.326676 0.019392 +C 2.28222 0.039749 -0.743555 +H 1.143134 0.352832 -0.129358 +H 0.125756 0.748127 1.541446 +H 2.424246 0.803738 -1.50304 +H 2.149039 -0.973408 -1.113762 +""", +) + +entry( + index = 3704, + label = "CH3-2 + CHCl3-2 <=> CH4-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.37906,'cm^3/(mol*s)'), n=4.14422, Ea=(4.92192,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.32498, dn = +|- 0.0369701, dEa = +|- 0.20119 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + ClC(Cl)Cl <=> C + Cl[C](Cl)Cl +barrier = 22.429878 kJ/mol +T1 = 0.015833273999999998 + +Atom XYZ coordinates (angstrom) +Cl 0.795034 -1.583314 -0.058898 +Cl -0.509852 0.380356 1.648896 +Cl 1.140795 1.258287 -0.583825 +C 0.080744 0.012449 0.041907 +C -2.057288 -0.021375 -1.55164 +H -0.945317 -0.003781 -0.72285 +H -2.327258 1.026235 -1.610737 +H -1.667249 -0.451044 -2.466555 +H -2.752161 -0.648073 -1.005482 +""", +) + +entry( + index = 3705, + label = "CHCl2-2 + CH2O <=> CH2Cl2-2 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.64388e-05,'cm^3/(mol*s)'), n=5.2679, Ea=(17.3349,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.47481, dn = +|- 0.119052, dEa = +|- 0.647876 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDO + Cl[CH]Cl <=> [CH]DO + ClCCl +barrier = 42.327344 kJ/mol +T1 = 0.020833176000000002 + +Atom XYZ coordinates (angstrom) +Cl -1.476126 -1.027955 -0.440164 +Cl -0.581199 1.684338 0.221857 +O 2.965729 -1.029819 0.069072 +C -0.389852 -0.026432 0.480218 +C 2.069932 -0.583764 -0.556081 +H 2.127539 -0.339724 -1.638578 +H 0.917746 -0.336544 -0.016111 +H -0.405406 -0.278258 1.532955 +""", +) + +entry( + index = 3706, + label = "CH3O-3 + CH2F2 <=> CH4O-3 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.39254e-05,'cm^3/(mol*s)'), n=4.98234, Ea=(14.7609,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.16877, dn = +|- 0.101709, dEa = +|- 0.553497 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + C[O] <=> CO + F[CH]F +barrier = 39.360174 kJ/mol +T1 = 0.021582304 + +Atom XYZ coordinates (angstrom) +F 1.227863 -1.202874 -0.054275 +F 1.299509 0.926997 -0.503766 +O -1.390829 0.176216 0.786472 +C -1.808529 -0.085245 -0.523576 +C 1.05465 0.022926 0.449919 +H -2.901494 -0.043684 -0.500699 +H -1.514298 -1.082432 -0.861307 +H -1.455353 0.670588 -1.229977 +H 1.687123 0.18598 1.323326 +H -0.160099 0.131664 0.771502 +""", +) + +entry( + index = 3707, + label = "CH3-2 + C2H3F3-3 <=> CH4-2 + C2H2F3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000136748,'cm^3/(mol*s)'), n=5.09415, Ea=(24.992,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.50852, dn = +|- 0.120829, dEa = +|- 0.657548 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [CH3] <=> C + FC[C](F)F +barrier = 50.801595 kJ/mol +T1 = 0.015892271 + +Atom XYZ coordinates (angstrom) +F -1.468686 1.181326 -0.011929 +F 0.406676 -1.755442 -0.456659 +F 0.021243 -0.746091 1.438636 +C -1.253615 -0.105197 -0.443559 +C 0.061525 -0.583006 0.106797 +C 2.066215 1.14547 -0.333907 +H -2.066447 -0.740159 -0.08344 +H -1.215481 -0.118545 -1.532135 +H 1.027775 0.286296 -0.139351 +H 2.581606 1.141006 0.619493 +H 1.58025 2.084307 -0.57359 +H 2.629994 0.707453 -1.149531 +""", +) + +entry( + index = 3708, + label = "C2H3Cl2-4 + CHCl3-2 <=> C2H4Cl2-4 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000794462,'cm^3/(mol*s)'), n=4.56166, Ea=(11.5424,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.62758, dn = +|- 0.0639945, dEa = +|- 0.348256 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClC(Cl)Cl + Cl[CH]CCl <=> Cl[C](Cl)Cl + ClCCCl +barrier = 28.330601 kJ/mol +T1 = 0.014994188 + +Atom XYZ coordinates (angstrom) +Cl -1.283951 1.97012 -0.375862 +Cl -3.563059 -0.638123 -0.618191 +Cl 2.296728 1.023416 0.936772 +Cl 1.734564 0.002666 -1.732067 +Cl 1.710447 -1.805179 0.551867 +C -1.152021 0.331036 0.198956 +C -1.76702 -0.703906 -0.67901 +C 1.461418 -0.169812 -0.016852 +H 0.163621 0.070762 0.145144 +H -1.396507 0.265066 1.254225 +H -1.477694 -0.564936 -1.716647 +H -1.478763 -1.696598 -0.341017 +""", +) + +entry( + index = 3709, + label = "H + CH2Cl2 <=> H2 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1411.16,'cm^3/(mol*s)'), n=3.21154, Ea=(10.7169,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.75583, dn = +|- 0.0739592, dEa = +|- 0.402483 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + ClCCl <=> [H][H] + Cl[CH]Cl +barrier = 30.349757 kJ/mol +T1 = 0.01698032 + +Atom XYZ coordinates (angstrom) +Cl -1.43158 -0.46214 0.079645 +Cl 1.455142 -0.035897 -0.210378 +C -0.07741 0.609598 0.308535 +H -0.306902 1.65408 -0.424656 +H -0.026637 0.961699 1.331111 +H -0.48205 2.434474 -0.970798 +""", +) + +entry( + index = 3710, + label = "CHCl2-2 + C3H6O-4 <=> CH2Cl2-2 + C3H5O-4", + degeneracy = 6.0, + kinetics = Arrhenius(A=(1.37871e-05,'cm^3/(mol*s)'), n=4.74661, Ea=(33.5481,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.90038, dn = +|- 0.0843531, dEa = +|- 0.459046 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(C)DO + Cl[CH]Cl <=> [CH2]C(C)DO + ClCCl +barrier = 53.829831 kJ/mol +T1 = 0.016508146 + +Atom XYZ coordinates (angstrom) +Cl 1.595247 -1.581289 -0.183329 +Cl 0.939097 0.966059 1.111178 +O -2.62576 1.381688 0.009571 +C -2.291185 -0.809247 0.897015 +C 1.120669 0.084937 -0.374498 +C -2.15344 0.27619 -0.141769 +C -1.369545 -0.063295 -1.349684 +H -2.909091 -1.61753 0.501649 +H -2.746504 -0.405359 1.796098 +H -1.312047 -1.233662 1.128783 +H -0.117364 0.051034 -0.916909 +H 1.763538 0.603949 -1.074074 +H -1.373514 -1.105706 -1.655528 +H -1.441398 0.661223 -2.153001 +""", +) + +entry( + index = 3711, + label = "C2H2F3-6 + CH4 <=> C2H3F3-6 + CH3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.00691205,'cm^3/(mol*s)'), n=4.63829, Ea=(38.1573,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.87766, dn = +|- 0.0827731, dEa = +|- 0.450448 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C + [CH2]C(F)(F)F <=> CC(F)(F)F + [CH3] +barrier = 59.721104 kJ/mol +T1 = 0.014846709 + +Atom XYZ coordinates (angstrom) +F 1.98011 0.493156 0.131086 +F 0.606395 -0.75584 -0.962163 +F 0.49796 -0.656488 1.191177 +C -0.268886 1.197936 -0.014706 +C 0.701926 0.076914 0.085917 +C -2.580295 -0.14366 -0.068718 +H -1.4676 0.572301 -0.045947 +H -0.188405 1.739851 -0.94958 +H -0.279731 1.824082 0.869579 +H -2.47237 -0.774092 -0.944069 +H -3.377109 0.587763 -0.144042 +H -2.564804 -0.688129 0.868643 +""", +) + +entry( + index = 3712, + label = "CH3O-4 + CHCl3-2 <=> CH4O-4 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00179773,'cm^3/(mol*s)'), n=4.48442, Ea=(11.3138,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.62487, dn = +|- 0.0637752, dEa = +|- 0.347062 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]O + ClC(Cl)Cl <=> CO + Cl[C](Cl)Cl +barrier = 30.080077 kJ/mol +T1 = 0.016469178 + +Atom XYZ coordinates (angstrom) +Cl 0.611621 1.806506 0.212527 +Cl 1.87021 -0.59945 -0.843975 +Cl 0.10053 -0.772704 1.46206 +O -2.722848 -0.025203 -0.314497 +C 0.486434 0.083541 -0.023611 +C -1.818222 -0.405791 -1.278199 +H -0.615566 -0.140835 -0.811558 +H -1.927296 0.213734 -2.162422 +H -1.779075 -1.475366 -1.48732 +H -2.667495 -0.620473 0.439087 +""", +) + +entry( + index = 3713, + label = "C2HF4-4 + HO2-4 <=> C2H2F4-4 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.19715,'cm^3/(mol*s)'), n=3.44889, Ea=(-4.56439,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06112, dn = +|- 0.00779413, dEa = +|- 0.0424154 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)F + [O]O <=> FC(F)C(F)F + [O][O] +barrier = 2.109959 kJ/mol +T1 = 0.023283871 + +Atom XYZ coordinates (angstrom) +F -0.827475 -1.401751 -0.753196 +F -2.055912 -0.365548 0.725791 +F 0.104226 1.497118 0.957839 +F -0.785702 1.358832 -1.019783 +O 2.209595 -0.26521 -0.713479 +O 2.244413 -1.167497 0.189989 +C -0.787535 -0.606891 0.329123 +C -0.142048 0.709761 -0.072885 +H -0.235035 -1.089816 1.132346 +H 1.266369 0.232467 -0.611427 +""", +) + +entry( + index = 3714, + label = "C2H5-2 + CH3Cl <=> C2H6-2 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000200328,'cm^3/(mol*s)'), n=4.77867, Ea=(32.6481,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.10164, dn = +|- 0.097578, dEa = +|- 0.531016 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH2] + CCl <=> CC + [CH2]Cl +barrier = 55.480298 kJ/mol +T1 = 0.015119013999999998 + +Atom XYZ coordinates (angstrom) +Cl -1.65696 -0.526237 0.099213 +C 2.044612 -0.57865 0.274385 +C 1.597694 0.580117 -0.576408 +C -0.874398 1.023892 0.343783 +H 1.356252 -1.418676 0.183054 +H 3.036453 -0.930262 -0.020888 +H 2.097441 -0.299575 1.326991 +H 2.16277 1.500087 -0.44999 +H 1.424715 0.34657 -1.623769 +H 0.378729 0.890795 -0.142967 +H -0.775878 1.248579 1.399004 +H -1.35421 1.799792 -0.240099 +""", +) + +entry( + index = 3715, + label = "CH2Cl-2 + H2O2 <=> CH3Cl-2 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.77678e-05,'cm^3/(mol*s)'), n=4.60006, Ea=(7.75859,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.71059, dn = +|- 0.0705301, dEa = +|- 0.383822 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + [CH2]Cl <=> [O]O + CCl +barrier = 34.435609 kJ/mol +T1 = 0.022241318 + +Atom XYZ coordinates (angstrom) +Cl 1.018773 -0.829231 -0.205054 +O -2.191109 -0.840502 -0.130444 +O -1.976215 0.519992 -0.22361 +C 0.40727 0.603328 0.549795 +H -0.900147 0.654105 0.168965 +H 0.850944 1.505117 0.146767 +H 0.373751 0.519324 1.628748 +H -1.908409 -1.175326 -0.992314 +""", +) + +entry( + index = 3716, + label = "CH2Cl-2 + CHCl3-2 <=> CH3Cl-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.0255087,'cm^3/(mol*s)'), n=3.48762, Ea=(11.2368,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.63425, dn = +|- 0.064532, dEa = +|- 0.351181 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClC(Cl)Cl + [CH2]Cl <=> Cl[C](Cl)Cl + CCl +barrier = 31.048317 kJ/mol +T1 = 0.01595786 + +Atom XYZ coordinates (angstrom) +Cl -2.600493 0.574177 -0.443705 +Cl 1.88853 -1.35572 0.168902 +Cl 0.655686 0.863211 1.597796 +Cl 1.124015 1.060504 -1.267444 +C -1.67431 -0.891833 -0.381533 +C 0.792138 0.005134 0.083341 +H -0.395426 -0.49146 -0.145164 +H -1.633283 -1.396799 -1.338931 +H -1.932326 -1.50888 0.470514 +""", +) + +entry( + index = 3717, + label = "C2H3Cl2-3 + C3H8-3 <=> C2H4Cl2-3 + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(4.82528e-05,'cm^3/(mol*s)'), n=4.55741, Ea=(29.878,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.72153, dn = +|- 0.0713673, dEa = +|- 0.388378 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCC + [CH2]C(Cl)Cl <=> [CH2]CC + CC(Cl)Cl +barrier = 49.215201 kJ/mol +T1 = 0.013185727 + +Atom XYZ coordinates (angstrom) +Cl 2.178462 -0.962609 -0.361313 +Cl 1.020141 1.688067 0.146755 +C -2.519967 0.329532 -0.697708 +C -3.496325 -0.20175 0.345317 +C -1.385676 -0.626138 -0.961814 +C 1.341727 0.06685 0.840406 +C 0.073488 -0.570847 1.289009 +H -2.111372 1.290365 -0.375414 +H -3.055754 0.52619 -1.631893 +H -2.988357 -0.390514 1.292374 +H -4.305028 0.503257 0.533062 +H -3.938734 -1.1428 0.015649 +H -0.646331 -0.291681 -1.684984 +H -1.68298 -1.660627 -1.125307 +H -0.693661 -0.675795 0.153705 +H 2.063002 0.231426 1.634213 +H -0.506799 0.05693 1.958679 +H 0.202107 -1.591321 1.635405 +""", +) + +entry( + index = 3718, + label = "C2H5-2 + C2H4Cl2 <=> C2H6-2 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(7.95998e-05,'cm^3/(mol*s)'), n=4.59033, Ea=(21.0157,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.80636, dn = +|- 0.0776868, dEa = +|- 0.422769 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH2] + ClCCCl <=> CC + Cl[CH]CCl +barrier = 41.926743 kJ/mol +T1 = 0.013841395 + +Atom XYZ coordinates (angstrom) +Cl 2.017276 -0.960779 -0.242804 +Cl -1.148849 1.907884 0.270035 +C 0.767858 0.039642 0.492125 +C 0.232215 1.046343 -0.479468 +C -1.797134 -1.705609 -0.602718 +C -1.275236 -1.648375 0.807696 +H -0.247201 -0.795643 0.771297 +H 1.111042 0.448022 1.436443 +H 0.970262 1.799295 -0.748513 +H -0.134976 0.561058 -1.380107 +H -2.210812 -0.743625 -0.907665 +H -1.007047 -1.981956 -1.303182 +H -2.592701 -2.448453 -0.702831 +H -0.801362 -2.558291 1.166793 +H -1.946515 -1.20786 1.539225 +""", +) + +entry( + index = 3719, + label = "C2H4Cl-3 + C2H4Cl2 <=> C2H5Cl-3 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(7.33293e-05,'cm^3/(mol*s)'), n=4.64797, Ea=(18.0054,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.76152, dn = +|- 0.0743847, dEa = +|- 0.404799 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CCl + ClCCCl <=> CCCl + Cl[CH]CCl +barrier = 37.646885 kJ/mol +T1 = 0.013755703999999999 + +Atom XYZ coordinates (angstrom) +Cl 0.039954 -2.258843 -0.723906 +Cl -2.317368 1.085019 0.618077 +Cl 1.753826 1.123492 -0.970321 +C -0.802973 -1.105671 0.30595 +C -1.602888 -0.122567 -0.494617 +C 2.274684 0.214237 0.492445 +C 1.195418 0.199921 1.524757 +H 0.14485 -0.437396 0.947077 +H -1.360349 -1.62718 1.07714 +H -2.426541 -0.601929 -1.019689 +H -0.972169 0.410797 -1.199028 +H 3.177569 0.712899 0.842006 +H 2.528986 -0.787487 0.155711 +H 1.419135 -0.428801 2.383209 +H 0.795324 1.173363 1.79119 +""", +) + +entry( + index = 3720, + label = "HO + C2H3F3-3 <=> H2O + C2H2F3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(141.644,'cm^3/(mol*s)'), n=3.18861, Ea=(-1.22094,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06404, dn = +|- 0.00815553, dEa = +|- 0.0443821 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [OH] <=> O + FC[C](F)F +barrier = 7.829066 kJ/mol +T1 = 0.020949885 + +Atom XYZ coordinates (angstrom) +F -1.593439 -0.914814 0.056113 +F 1.585903 0.377997 0.776752 +F 0.976738 -0.625173 -1.058768 +O -0.931034 1.940124 -0.725524 +C -0.453135 -0.774832 0.813079 +C 0.534782 0.041283 0.016078 +H -0.039194 -1.76213 1.021576 +H -0.696031 -0.249841 1.735148 +H -0.002142 1.035475 -0.363632 +H -1.653602 1.326947 -0.943048 +""", +) + +entry( + index = 3721, + label = "C2HCl2-2 + ClH-2 <=> C2H2Cl2-2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1683.44,'cm^3/(mol*s)'), n=2.75012, Ea=(-4.90423,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08548, dn = +|- 0.0107756, dEa = +|- 0.0586406 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + Cl[C]DCCl <=> [Cl] + ClCDCCl +barrier = 1.245073 kJ/mol +T1 = 0.01828704 + +Atom XYZ coordinates (angstrom) +Cl 0.294239 1.854615 0.031214 +Cl 2.375882 -0.887816 0.029059 +Cl -2.842743 -0.536691 0.124475 +C -0.051084 0.231232 0.059823 +C 0.648759 -0.875494 0.061076 +H -1.536175 -0.074603 0.093832 +H 0.175336 -1.845365 0.082515 +""", +) + +entry( + index = 3722, + label = "CCl3 + HO2-4 <=> CHCl3 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.4909,'cm^3/(mol*s)'), n=3.39981, Ea=(-3.06701,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05948, dn = +|- 0.00759147, dEa = +|- 0.0413125 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]O + Cl[C](Cl)Cl <=> [O][O] + ClC(Cl)Cl +barrier = 4.438118 kJ/mol +T1 = 0.026044779 + +Atom XYZ coordinates (angstrom) +Cl 1.616317 0.475779 -1.022837 +Cl -0.212913 1.182243 1.128069 +Cl 0.72311 -1.560445 0.85771 +O -1.776593 -0.398566 -1.325208 +O -2.59731 0.431803 -0.815358 +C 0.406418 -0.043409 0.095101 +H -0.85677 -0.309346 -0.792608 +""", +) + +entry( + index = 3723, + label = "HO + C3H2F4 <=> H2O + C3HF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.607821,'cm^3/(mol*s)'), n=4.16818, Ea=(13.5364,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.72113, dn = +|- 0.0713369, dEa = +|- 0.388213 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCDCC(F)(F)F + [OH] <=> O + F[C]DCC(F)(F)F +barrier = 32.304866 kJ/mol +T1 = 0.01970121 + +Atom XYZ coordinates (angstrom) +F 2.078455 -0.765406 0.840113 +F 1.782464 -0.321711 -1.242574 +F 1.362074 1.178156 0.246386 +F -1.262755 1.326637 0.653174 +O -3.360327 -1.103406 0.229805 +C 1.277241 -0.122904 -0.018126 +C -0.119496 -0.651307 0.065155 +C -1.187926 0.048551 0.378287 +H -0.241307 -1.703752 -0.142771 +H -3.581166 -0.765422 -0.652504 +H -2.278863 -0.515693 0.442901 +""", +) + +entry( + index = 3724, + label = "CClO-2 + HO2-4 <=> CHClO-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.11111,'cm^3/(mol*s)'), n=3.55934, Ea=(-2.33131,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02507, dn = +|- 0.00325251, dEa = +|- 0.0177001 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]O + OD[C]Cl <=> [O][O] + ODCCl +barrier = 6.944413 kJ/mol +T1 = 0.030098187000000002 + +Atom XYZ coordinates (angstrom) +Cl 1.195455 -0.941034 0.004084 +O 0.953508 1.697267 -0.001034 +O -2.117066 -0.00176 -0.004667 +O -2.060781 -1.272878 -0.000169 +C 0.434885 0.662777 -0.000371 +H -1.111539 0.361926 -0.003719 +""", +) + +entry( + index = 3725, + label = "C2H4Cl-3 + H2O2 <=> C2H5Cl-3 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00022468,'cm^3/(mol*s)'), n=4.27218, Ea=(2.34228,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.31927, dn = +|- 0.036403, dEa = +|- 0.198104 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + [CH2]CCl <=> [O]O + CCCl +barrier = 24.123459 kJ/mol +T1 = 0.019359941999999998 + +Atom XYZ coordinates (angstrom) +Cl 0.723737 -0.511813 1.486198 +O -1.717558 -0.752187 -0.627306 +O -2.224419 0.384514 -0.016885 +C -0.109621 1.723629 0.183864 +C 0.886407 0.619575 0.096665 +H -1.320849 1.081888 0.089037 +H -0.177328 2.22932 1.141614 +H -0.128952 2.382233 -0.679989 +H 0.752297 0.025843 -0.803866 +H 1.911497 0.988898 0.132234 +H -1.442773 -1.298721 0.123613 +""", +) + +entry( + index = 3726, + label = "C2HF4-3 + H2O2 <=> C2H2F4-3 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8.65163e-06,'cm^3/(mol*s)'), n=4.70278, Ea=(10.3286,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.77278, dn = +|- 0.0752216, dEa = +|- 0.409353 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[CH]C(F)(F)F + OO <=> FCC(F)(F)F + [O]O +barrier = 34.229278 kJ/mol +T1 = 0.018802298000000002 + +Atom XYZ coordinates (angstrom) +F 0.874956 -1.453878 -0.183646 +F 2.021091 0.333402 0.21185 +F 0.246284 -0.072532 1.359025 +F -0.193017 1.846055 -0.58497 +O -2.306388 -0.403282 -0.31642 +O -2.681445 0.537395 0.621685 +C 0.785382 -0.165491 0.139265 +C -0.05602 0.551738 -0.883122 +H 0.224831 0.374729 -1.918131 +H -1.318469 -0.024082 -0.709586 +H -2.340662 0.175256 1.451687 +""", +) + +entry( + index = 3727, + label = "C2H3Cl2-3 + CH2Cl2 <=> C2H4Cl2-3 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000133417,'cm^3/(mol*s)'), n=4.48031, Ea=(10.9358,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.58413, dn = +|- 0.0604397, dEa = +|- 0.32891 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClCCl + [CH2]C(Cl)Cl <=> Cl[CH]Cl + CC(Cl)Cl +barrier = 29.647375 kJ/mol +T1 = 0.014796624 + +Atom XYZ coordinates (angstrom) +Cl -1.485312 1.552766 0.583596 +Cl -2.947371 -0.846937 -0.247554 +Cl 3.242551 -0.347626 0.74219 +Cl 1.807191 1.140565 -1.340317 +C -0.347597 -0.889145 0.497465 +C -1.341731 -0.040925 -0.208182 +C 1.851259 0.618111 0.327137 +H 0.80343 -0.142784 0.474797 +H -0.074624 -1.793022 -0.038827 +H -0.548071 -1.035025 1.553939 +H -1.077179 0.151414 -1.241135 +H 1.738209 1.460354 0.998223 +""", +) + +entry( + index = 3728, + label = "C2H3Cl2-4 + C2H4O-2 <=> C2H4Cl2-4 + C2H3O-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.000165845,'cm^3/(mol*s)'), n=4.56001, Ea=(35.7152,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.75529, dn = +|- 0.0739191, dEa = +|- 0.402265 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + Cl[CH]CCl <=> [CH2]CDO + ClCCCl +barrier = 53.611586 kJ/mol +T1 = 0.01583484 + +Atom XYZ coordinates (angstrom) +Cl -0.982133 0.690727 -2.140511 +Cl -2.036954 -0.120039 1.946436 +O 2.567635 2.02935 -0.588201 +C -1.204021 0.840967 -0.416697 +C -2.021541 -0.268714 0.165097 +C 1.252487 0.455598 0.58374 +C 2.146511 0.900449 -0.494548 +H 0.063511 0.679331 0.101597 +H -1.483411 1.848746 -0.130951 +H -1.598263 -1.238147 -0.085233 +H -3.055475 -0.229106 -0.172989 +H 1.231826 -0.6127 0.77782 +H 1.262953 1.081637 1.469765 +H 2.395303 0.147205 -1.262939 +""", +) + +entry( + index = 3729, + label = "C2H2F3-5 + CH3F <=> C2H3F3-5 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(8.4457e-06,'cm^3/(mol*s)'), n=5.32867, Ea=(35.7765,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.74643, dn = +|- 0.132733, dEa = +|- 0.722331 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + F[CH]C(F)F <=> FCC(F)F + [CH2]F +barrier = 60.708448 kJ/mol +T1 = 0.015959005 + +Atom XYZ coordinates (angstrom) +F -0.550187 2.084422 0.557397 +F -1.411264 -1.288692 0.14144 +F -1.04985 0.177145 -1.445003 +F 2.739386 -0.186512 0.916877 +C -0.495319 0.743214 0.752839 +C -1.452431 0.032735 -0.155786 +C 1.92564 -0.017843 -0.155233 +H 0.726614 0.332564 0.326161 +H -0.594792 0.484175 1.803599 +H -2.484929 0.382449 -0.088749 +H 1.763449 -0.953971 -0.682661 +H 2.247167 0.818231 -0.770161 +""", +) + +entry( + index = 3730, + label = "HO + C2H4F2-3 <=> H2O + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(520.878,'cm^3/(mol*s)'), n=3.06654, Ea=(-3.72248,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03639, dn = +|- 0.0046963, dEa = +|- 0.0255571 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + [OH] <=> O + F[CH]CF +barrier = 5.013476 kJ/mol +T1 = 0.021091821 + +Atom XYZ coordinates (angstrom) +F -0.388144 -1.463641 -0.388808 +F 1.289127 0.838988 -0.59008 +O -1.943222 1.048146 -0.373757 +C 0.248507 -0.861014 0.682825 +C 0.401165 0.604066 0.414976 +H 1.222212 -1.338214 0.802849 +H -0.361844 -1.012918 1.572938 +H 0.679977 1.17561 1.30108 +H -1.937486 0.204007 -0.856182 +H -0.658245 1.01212 0.070905 +""", +) + +entry( + index = 3731, + label = "CF3-2 + C2H3F3-2 <=> CHF3-2 + C2H2F3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.4035e-07,'cm^3/(mol*s)'), n=5.69148, Ea=(22.7204,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.09169, dn = +|- 0.148291, dEa = +|- 0.806995 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + F[C](F)F <=> FC(F)F + F[CH]C(F)F +barrier = 47.797011 kJ/mol +T1 = 0.015844446 + +Atom XYZ coordinates (angstrom) +F -0.806713 2.043976 -0.223027 +F -1.928943 -1.066995 0.9343 +F -1.501327 -0.522023 -1.143046 +F 1.318393 -1.61976 0.087028 +F 1.795887 0.047706 -1.205387 +F 2.443328 0.058796 0.858509 +C -0.847824 0.939695 0.555522 +C -1.879981 -0.034443 0.061315 +C 1.482933 -0.311176 0.025443 +H 0.302357 0.312387 0.382274 +H -0.935479 1.191188 1.609892 +H -2.877873 0.396522 -0.044382 +""", +) + +entry( + index = 3732, + label = "C2H3F2-6 + H2-2 <=> C2H4F2-6 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.13036,'cm^3/(mol*s)'), n=3.40173, Ea=(30.0379,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.50691, dn = +|- 0.0538741, dEa = +|- 0.293181 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + [CH2]C(F)F <=> CC(F)F + [H] +barrier = 54.707834 kJ/mol +T1 = 0.016388586 + +Atom XYZ coordinates (angstrom) +F -0.600385 1.091938 0.3187 +F -0.597246 -1.096899 0.312481 +C 1.339872 0.002391 -0.398516 +C -0.148446 7.1e-05 -0.354575 +H 1.700671 -0.000119 0.93051 +H 1.769873 0.916515 -0.791798 +H 1.772413 -0.908594 -0.796137 +H -0.62578 0.002155 -1.338235 +H 1.938114 -0.002014 1.804981 +""", +) + +entry( + index = 3733, + label = "C2H3Cl2-3 + C2H4O <=> C2H4Cl2-3 + C2H3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00181325,'cm^3/(mol*s)'), n=4.22009, Ea=(6.09566,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.38462, dn = +|- 0.0427543, dEa = +|- 0.232667 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCDO + [CH2]C(Cl)Cl <=> C[C]DO + CC(Cl)Cl +barrier = 22.458814 kJ/mol +T1 = 0.019172401999999998 + +Atom XYZ coordinates (angstrom) +Cl 2.636412 -0.675951 -0.773302 +Cl 0.591324 1.42031 -0.813131 +O -2.710701 -0.560326 -1.232717 +C 0.216522 -0.931752 0.447334 +C 0.862842 -0.348788 -0.747636 +C -2.937319 0.959471 0.628587 +C -2.311426 -0.11469 -0.2082 +H -1.195898 -0.537566 0.237317 +H 0.175593 -2.015749 0.450209 +H 0.499839 -0.477855 1.390634 +H 0.477543 -0.749951 -1.677805 +H -2.215147 1.769802 0.734223 +H -3.856694 1.317498 0.171119 +H -3.132026 0.561923 1.62504 +""", +) + +entry( + index = 3734, + label = "CH2F-2 + C2H5F-2 <=> CH3F-2 + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(5.43862e-06,'cm^3/(mol*s)'), n=5.37821, Ea=(31.5279,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.95909, dn = +|- 0.142532, dEa = +|- 0.775653 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [CH2]F <=> CF + C[CH]F +barrier = 57.855074 kJ/mol +T1 = 0.016204411999999998 + +Atom XYZ coordinates (angstrom) +F -1.672471 -1.013553 -0.334806 +F 1.721901 1.171499 -0.520972 +C 1.560447 -1.1531 -0.058187 +C -1.429838 0.312986 -0.133179 +C 1.209351 0.24162 0.34607 +H 2.642341 -1.301327 -0.051923 +H 1.185634 -1.362616 -1.059759 +H 1.10492 -1.861115 0.633038 +H -1.524858 0.87227 -1.059582 +H -2.01158 0.691849 0.702522 +H -0.105724 0.365768 0.218405 +H 1.453692 0.528428 1.3676 +""", +) + +entry( + index = 3735, + label = "F + CHFO <=> FH + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.74815e+08,'cm^3/(mol*s)'), n=1.72808, Ea=(-0.577896,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01097, dn = +|- 0.0014336, dEa = +|- 0.0078016 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCF + [F] <=> F + OD[C]F +barrier = 0.427200 kJ/mol +T1 = 0.027560473999999998 + +Atom XYZ coordinates (angstrom) +F 0.508224 -1.141907 0.022623 +F -2.17886 0.211787 0.034896 +O 1.360394 0.893021 0.011575 +C 0.435253 0.177332 0.01939 +H -0.642315 0.493543 0.0253 +""", +) + +entry( + index = 3736, + label = "C4H5-8 + C2H5Cl <=> C4H6-8 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0467819,'cm^3/(mol*s)'), n=4.21726, Ea=(3.18342,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.27898, dn = +|- 0.0323273, dEa = +|- 0.175924 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCCDC + CCCl <=> CDCCDC + C[CH]Cl +barrier = 15.912710 kJ/mol +T1 = 0.015633406000000002 + +Atom XYZ coordinates (angstrom) +Cl -1.594179 -0.494978 0.199255 +C 0.141397 -1.413602 2.101148 +C -0.687889 -0.228601 1.697438 +C 2.032505 2.752863 -0.97829 +C 1.114865 1.836719 -0.299817 +C 2.072844 2.89854 -2.298746 +C 1.056871 1.677745 1.009235 +H 0.849544 -1.666547 1.313146 +H -0.483887 -2.285009 2.298718 +H 0.7002 -1.174379 3.006743 +H 0.096736 0.721302 1.445553 +H -1.375008 0.138381 2.453473 +H 2.700427 3.327731 -0.34613 +H 0.445144 1.2629 -0.937104 +H 1.412281 2.332202 -2.943579 +H 2.761967 3.58362 -2.771848 +H 1.643693 2.164386 1.779326 +""", +) + +entry( + index = 3737, + label = "CH3-2 + C2H5Cl <=> CH4-2 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0061077,'cm^3/(mol*s)'), n=4.73315, Ea=(22.1314,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.99921, dn = +|- 0.0910141, dEa = +|- 0.495295 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH3] + CCCl <=> C + C[CH]Cl +barrier = 44.876189 kJ/mol +T1 = 0.015123969 + +Atom XYZ coordinates (angstrom) +Cl -1.369976 -0.483376 0.082615 +C 0.225773 1.709436 -0.273633 +C 2.10617 -1.123889 -0.064782 +C 0.045089 0.468697 0.550389 +H 0.3126 1.456157 -1.329787 +H -0.61621 2.392625 -0.15359 +H 1.136127 2.223586 0.037331 +H 1.911072 -2.042422 0.476165 +H 3.002311 -0.598761 0.245239 +H 1.980524 -1.204876 -1.138599 +H 1.054973 -0.303232 0.314229 +H 0.027046 0.61823 1.625126 +""", +) + +entry( + index = 3738, + label = "CF3-2 + C2H5F-2 <=> CHF3-2 + C2H4F-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.81615e-05,'cm^3/(mol*s)'), n=5.4189, Ea=(16.2637,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.47165, dn = +|- 0.118884, dEa = +|- 0.646963 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + F[C](F)F <=> FC(F)F + C[CH]F +barrier = 38.837027 kJ/mol +T1 = 0.015984451 + +Atom XYZ coordinates (angstrom) +F -1.889601 1.339053 0.268746 +F 1.860452 0.932271 -0.312076 +F 1.494344 -1.144911 -0.791849 +F 1.160439 -0.425189 1.220088 +C -2.163815 -0.997017 -0.055531 +C -1.548087 0.282854 -0.523608 +C 1.083973 -0.110674 -0.065785 +H -1.877673 -1.199488 0.976082 +H -3.252257 -0.94174 -0.110477 +H -1.82396 -1.820269 -0.683068 +H -0.270804 0.155219 -0.386464 +H -1.704448 0.544327 -1.569223 +""", +) + +entry( + index = 3739, + label = "C2H4F-3 + H2O2 <=> C2H5F-3 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9.93791e-05,'cm^3/(mol*s)'), n=4.47035, Ea=(3.24364,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47277, dn = +|- 0.0508631, dEa = +|- 0.276795 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: C[CH]F + OO <=> CCF + [O]O +barrier = 26.341614 kJ/mol +T1 = 0.019760753 + +Atom XYZ coordinates (angstrom) +F -1.087325 -0.760242 -0.732603 +O 1.87039 -0.07651 -0.862724 +O 1.663983 -0.581479 0.410001 +C -0.832817 1.383944 0.247084 +C -0.775791 -0.095472 0.414156 +H -0.132876 1.696475 -0.527758 +H -1.839601 1.695828 -0.041138 +H -0.566173 1.871146 1.183107 +H -1.298242 -0.544323 1.257193 +H 0.507906 -0.383763 0.595239 +H 1.698558 -0.835445 -1.436041 +""", +) + +entry( + index = 3740, + label = "C2ClF4 + CH2F2 <=> C2HClF4 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.34405e-07,'cm^3/(mol*s)'), n=5.75848, Ea=(28.3874,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.1611, dn = +|- 0.151208, dEa = +|- 0.822868 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + F[C](F)C(F)(F)Cl <=> F[CH]F + FC(F)C(F)(F)Cl +barrier = 54.515752 kJ/mol +T1 = 0.015890058999999998 + +Atom XYZ coordinates (angstrom) +Cl 2.713278 -0.040432 -0.314393 +F 0.430076 1.294919 1.243593 +F 0.098461 1.493785 -0.900448 +F 0.920839 -1.373764 0.906063 +F 0.619254 -1.163006 -1.226189 +F -2.365326 -1.58678 0.037947 +F -3.117144 0.370924 -0.563372 +C 0.106416 0.651377 0.125017 +C 1.027847 -0.532508 -0.125394 +C -2.422842 -0.294356 0.359553 +H -1.163239 0.161217 0.28918 +H -2.829179 -0.143478 1.359248 +""", +) + +entry( + index = 3741, + label = "C2H3Cl2-3 + C2H5Cl-2 <=> C2H4Cl2-3 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(2.48929e-05,'cm^3/(mol*s)'), n=4.52183, Ea=(24.9495,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.66724, dn = +|- 0.0671573, dEa = +|- 0.365468 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCCl + [CH2]C(Cl)Cl <=> [CH2]CCl + CC(Cl)Cl +barrier = 43.921749 kJ/mol +T1 = 0.013540383000000001 + +Atom XYZ coordinates (angstrom) +Cl -0.922595 1.654609 0.665938 +Cl -2.477119 -0.811675 0.408197 +Cl 2.576067 -1.136489 0.409715 +C -0.390217 -0.208391 -1.217531 +C -0.855272 -0.068798 0.186547 +C 2.54985 0.648739 0.152439 +C 2.008413 0.986898 -1.198616 +H 0.805129 0.40131 -1.267864 +H -0.178965 -1.236717 -1.494551 +H -1.00151 0.326381 -1.938013 +H -0.202625 -0.56336 0.896588 +H 3.579347 0.976533 0.283725 +H 1.940454 1.067212 0.949196 +H 1.782535 2.042453 -1.325221 +H 2.558214 0.556918 -2.03053 +""", +) + +entry( + index = 3742, + label = "C4H3-3 + C2H4Cl2 <=> C4H4-3 + C2H3Cl2", + degeneracy = 4.0, + kinetics = Arrhenius(A=(0.0657624,'cm^3/(mol*s)'), n=3.99538, Ea=(-1.30617,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13773, dn = +|- 0.0169526, dEa = +|- 0.0922555 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCC#C + ClCCCl <=> C#CCDC + Cl[CH]CCl +barrier = 9.301619 kJ/mol +T1 = 0.015693948 + +Atom XYZ coordinates (angstrom) +Cl 1.444114 -0.141661 -1.773878 +Cl -0.319366 -1.728479 1.820416 +C 1.107629 -0.479374 -0.07922 +C -0.030762 -1.446372 0.077011 +C -0.900463 2.249865 0.541033 +C -1.538168 1.708572 -0.617589 +C 0.200204 1.757512 1.078667 +C -2.092184 1.27431 -1.588381 +H 0.752605 0.604922 0.457394 +H 2.019186 -0.779951 0.428008 +H 0.196618 -2.40932 -0.374262 +H -0.944395 -1.041213 -0.348571 +H -1.377148 3.121447 0.985403 +H 0.724707 2.106515 1.957358 +H -2.571384 0.889454 -2.455832 +""", +) + +entry( + index = 3743, + label = "C2H4F-4 + CH2F2 <=> C2H5F-4 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.02343e-06,'cm^3/(mol*s)'), n=5.20003, Ea=(28.7107,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.61694, dn = +|- 0.126389, dEa = +|- 0.687802 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + [CH2]CF <=> CCF + F[CH]F +barrier = 54.248098 kJ/mol +T1 = 0.016097568 + +Atom XYZ coordinates (angstrom) +F -1.827218 0.550277 0.746111 +F 2.515321 -0.312884 0.386031 +F 1.259068 1.356778 -0.249492 +C -0.694325 -1.123038 -0.45319 +C -1.681039 -0.003696 -0.522546 +C 1.331582 0.289973 0.562093 +H 0.372807 -0.53404 0.130299 +H -0.964379 -1.927286 0.224942 +H -0.331304 -1.470491 -1.415515 +H -2.671475 -0.337302 -0.841888 +H -1.341154 0.790746 -1.187459 +H 1.180097 0.576983 1.601427 +""", +) + +entry( + index = 3744, + label = "C2H4Cl-3 + C3H8-3 <=> C2H5Cl-3 + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.000159066,'cm^3/(mol*s)'), n=4.70749, Ea=(35.8742,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.88895, dn = +|- 0.0835607, dEa = +|- 0.454734 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCC + [CH2]CCl <=> [CH2]CC + CCCl +barrier = 55.697277 kJ/mol +T1 = 0.013219258999999999 + +Atom XYZ coordinates (angstrom) +Cl -1.620636 -0.830505 0.79595 +C 2.162962 -0.835604 0.088101 +C 3.108714 0.273359 0.534677 +C -0.374437 1.412673 -0.112612 +C -1.688635 0.702396 -0.150348 +C 1.318379 -0.426181 -1.090987 +H 1.507448 -1.124564 0.912866 +H 2.743418 -1.728123 -0.167093 +H 3.791699 0.546522 -0.271105 +H 2.551345 1.169075 0.81278 +H 3.705799 -0.030878 1.393412 +H 0.526198 0.538473 -0.644961 +H -0.005706 1.624528 0.886865 +H -0.326735 2.272859 -0.775825 +H -1.969511 0.42241 -1.162525 +H -2.498186 1.279544 0.292672 +H 1.867876 0.036206 -1.909499 +H 0.612779 -1.176814 -1.439111 +""", +) + +entry( + index = 3745, + label = "C2F5-2 + HO2-4 <=> C2HF5-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(22.6231,'cm^3/(mol*s)'), n=3.32899, Ea=(2.00417,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.04796, dn = +|- 0.00615495, dEa = +|- 0.033495 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)(F)F + [O]O <=> FC(F)C(F)(F)F + [O][O] +barrier = 8.155767 kJ/mol +T1 = 0.022272747000000002 + +Atom XYZ coordinates (angstrom) +F 0.97377 -0.615678 -1.304746 +F 1.033629 -1.432884 0.696387 +F 2.243352 0.281129 0.19214 +F -0.162295 1.678671 -0.33831 +F -0.098382 0.857795 1.673756 +O -2.303281 -0.663481 -0.504153 +O -2.454389 -0.030835 -1.609494 +C 1.075177 -0.318368 -0.01942 +C -0.082344 0.58945 0.387323 +H -1.458684 -0.270389 -0.04195 +""", +) + +entry( + index = 3746, + label = "CF3-2 + CH3Cl <=> CHF3-2 + CH2Cl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.00689e-05,'cm^3/(mol*s)'), n=5.45093, Ea=(19.7821,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.64865, dn = +|- 0.127971, dEa = +|- 0.696413 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + CCl <=> FC(F)F + [CH2]Cl +barrier = 44.013675 kJ/mol +T1 = 0.016356492 + +Atom XYZ coordinates (angstrom) +Cl -2.083413 -0.812501 -0.100489 +F 1.600174 -0.78571 -1.068327 +F 2.193288 0.976644 0.036811 +F 1.531935 -0.791096 1.093564 +C -1.215849 0.701278 -0.071879 +C 1.361488 -0.054816 0.007993 +H 0.047472 0.393175 -0.032459 +H -1.357389 1.261213 -0.988683 +H -1.414736 1.259618 0.835198 +""", +) + +entry( + index = 3747, + label = "C3HF4-6 + HO-4 <=> C3H2F4-6 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.366231,'cm^3/(mol*s)'), n=3.7491, Ea=(9.73245,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.38455, dn = +|- 0.0427478, dEa = +|- 0.232632 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + F[C]DCC(F)(F)F <=> FCDCC(F)(F)F + [O] +barrier = 28.151735 kJ/mol +T1 = 0.018198496 + +Atom XYZ coordinates (angstrom) +F 0.823282 1.213094 -0.194469 +F 1.855573 -0.113702 1.155519 +F 1.931263 -0.46949 -0.962425 +F -2.390613 -1.186505 0.093401 +O -2.107746 1.837561 -0.403685 +C 1.132798 -0.061673 0.03074 +C -0.071076 -0.936537 0.134674 +C -1.296905 -0.483234 0.014501 +H 0.105316 -1.989942 0.317987 +H -1.606841 0.849586 -0.220261 +""", +) + +entry( + index = 3748, + label = "CH3-2 + C2H3F3-2 <=> CH4-2 + C2H2F3-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000445873,'cm^3/(mol*s)'), n=4.87778, Ea=(28.5341,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.23569, dn = +|- 0.105702, dEa = +|- 0.575224 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)F + [CH3] <=> C + F[CH]C(F)F +barrier = 52.554852 kJ/mol +T1 = 0.015625297 + +Atom XYZ coordinates (angstrom) +F 1.371587 1.345001 0.119782 +F -0.357101 -1.639282 0.758951 +F 0.280217 -0.882329 -1.195218 +C 0.424823 0.534488 0.661673 +C 0.559859 -0.861964 0.130991 +C -1.893366 1.396971 -0.368739 +H -0.748627 0.963254 0.226458 +H 0.432102 0.589399 1.747752 +H 1.550811 -1.300293 0.269349 +H -1.548847 1.768252 -1.326795 +H -2.50064 0.501092 -0.429109 +H -2.277496 2.159237 0.299238 +""", +) + +entry( + index = 3749, + label = "HO + CHF3 <=> H2O + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(18.3014,'cm^3/(mol*s)'), n=3.7645, Ea=(8.38799,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.36214, dn = +|- 0.0406036, dEa = +|- 0.220963 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)F + [OH] <=> O + F[C](F)F +barrier = 22.281109 kJ/mol +T1 = 0.022154005 + +Atom XYZ coordinates (angstrom) +F 0.991834 1.074026 -0.461468 +F 0.30582 0.060916 1.320071 +F 1.007334 -1.08397 -0.373447 +O -2.030372 -0.037164 -0.67399 +C 0.363953 0.007356 -0.003287 +H -0.7685 -0.018945 -0.448958 +H -2.364138 -0.002322 0.237361 +""", +) + +entry( + index = 3750, + label = "CF3-2 + H2-2 <=> CHF3-2 + H-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.0258145,'cm^3/(mol*s)'), n=4.22454, Ea=(21.1257,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.17123, dn = +|- 0.101858, dEa = +|- 0.554309 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H][H] + F[C](F)F <=> FC(F)F + [H] +barrier = 50.438013 kJ/mol +T1 = 0.017548087 + +Atom XYZ coordinates (angstrom) +F -0.679799 1.075162 -0.021584 +F 1.096213 0.027277 -0.672035 +F -0.648276 -1.086534 -0.046799 +C 0.068802 0.002766 0.156123 +H 0.538786 -0.005843 1.441563 +H 0.855219 -0.012846 2.301809 +""", +) + +entry( + index = 3751, + label = "C2HO-2 + C2H4Cl2-2 <=> C2H2O-2 + C2H3Cl2-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.0291175,'cm^3/(mol*s)'), n=4.35866, Ea=(21.8826,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.45788, dn = +|- 0.0495282, dEa = +|- 0.26953 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH]DCDO + CC(Cl)Cl <=> CDCDO + [CH2]C(Cl)Cl +barrier = 35.942717 kJ/mol +T1 = 0.01682476 + +Atom XYZ coordinates (angstrom) +Cl 2.394647 1.046169 -0.455706 +Cl 1.222831 -1.575685 0.114232 +O -4.164562 0.515378 -0.52239 +C -0.096662 0.744118 0.510365 +C 0.880781 0.091526 -0.407246 +C -2.208594 -0.781858 0.176933 +C -3.261352 -0.144842 -0.200652 +H -1.175882 0.047236 0.416944 +H 0.175043 0.6932 1.559803 +H -0.4042 1.732696 0.181341 +H 0.521927 0.033143 -1.427873 +H -1.937571 -1.811334 0.289765 +""", +) + +entry( + index = 3752, + label = "CF3-2 + C3H8-3 <=> CHF3-2 + C3H7-3", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.000110674,'cm^3/(mol*s)'), n=5.14459, Ea=(18.0677,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.14183, dn = +|- 0.100067, dEa = +|- 0.544559 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + CCC <=> FC(F)F + [CH2]CC +barrier = 38.230260 kJ/mol +T1 = 0.015063502 + +Atom XYZ coordinates (angstrom) +F 2.219042 -0.623831 -0.192528 +F 1.302954 1.073186 0.786033 +F 0.937936 0.709863 -1.314421 +C -2.141912 -0.490759 -0.455978 +C -1.117151 -1.27515 0.323588 +C -2.328126 0.921125 0.087953 +C 1.130283 0.131226 -0.133205 +H -3.097253 -1.024445 -0.42678 +H -1.849479 -0.450357 -1.507295 +H 0.005407 -0.641465 0.168981 +H -0.897047 -2.270956 -0.053113 +H -1.261201 -1.268251 1.402639 +H -2.637796 0.894584 1.133464 +H -3.084697 1.466184 -0.474301 +H -1.39776 1.488007 0.031214 +""", +) + +entry( + index = 3753, + label = "C2F5-2 + CH2F2 <=> C2HF5-2 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.81374e-06,'cm^3/(mol*s)'), n=4.92621, Ea=(26.9207,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.52095, dn = +|- 0.165372, dEa = +|- 0.899949 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + F[C](F)C(F)(F)F <=> FC(F)C(F)(F)F + F[CH]F +barrier = 54.554484 kJ/mol +T1 = 0.015906827 + +Atom XYZ coordinates (angstrom) +F 0.995933 -1.531011 0.003581 +F 2.583293 -0.071637 0.100523 +F 1.057347 -0.104801 1.627255 +F -2.709917 -0.236875 -1.091517 +F -2.131094 -0.97194 0.879599 +F 0.578975 0.49461 -1.776769 +F 0.673386 1.941179 -0.148396 +C 1.290186 -0.278745 0.329972 +C -2.174882 0.096861 0.082878 +C 0.413908 0.675497 -0.471022 +H -2.706241 0.926362 0.548518 +H -0.904198 0.423906 -0.158184 +""", +) + +entry( + index = 3754, + label = "CH3-2 + C2H4F2 <=> CH4-2 + C2H3F2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.5887,'cm^3/(mol*s)'), n=3.56265, Ea=(39.2599,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.84847, dn = +|- 0.0807143, dEa = +|- 0.439244 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(F)F + [CH3] <=> C + [CH2]C(F)F +barrier = 60.273769 kJ/mol +T1 = 0.015041265 + +Atom XYZ coordinates (angstrom) +F -0.664824 1.365567 0.274895 +F -0.908863 -0.434776 -0.94651 +C 0.340425 -0.609157 1.021771 +C -0.826128 0.013329 0.3383 +C 2.423099 0.103116 -0.501506 +H 1.383325 -0.253001 0.258432 +H 0.539861 -0.189955 2.002151 +H 0.320154 -1.693629 1.005677 +H -1.794107 -0.174654 0.809186 +H 3.271315 0.099202 0.173787 +H 2.465516 -0.657828 -1.272329 +H 2.151144 1.086471 -0.867799 +""", +) + +entry( + index = 3755, + label = "CFO-2 + C2H2F4 <=> CHFO-2 + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.02031e-07,'cm^3/(mol*s)'), n=5.78241, Ea=(34.1991,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.40627, dn = +|- 0.161022, dEa = +|- 0.876274 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + OD[C]F <=> ODCF + F[CH]C(F)(F)F +barrier = 60.396392 kJ/mol +T1 = 0.018113728 + +Atom XYZ coordinates (angstrom) +F -1.276692 1.274489 -0.305152 +F -0.829223 0.195726 1.516833 +F -2.493648 -0.408762 0.293264 +F -0.16921 -2.020752 0.043625 +F 1.978451 1.346081 0.609095 +O 3.040354 0.214932 -0.972035 +C -1.246489 0.06527 0.260689 +C -0.323481 -0.820416 -0.534434 +C 2.078001 0.430554 -0.348147 +H -0.577458 -0.891314 -1.589153 +H 0.886673 -0.181931 -0.474368 +""", +) + +entry( + index = 3756, + label = "CH2F-2 + CHCl3-2 <=> CH3F-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.196392,'cm^3/(mol*s)'), n=3.57387, Ea=(10.8975,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.68098, dn = +|- 0.0682362, dEa = +|- 0.371339 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClC(Cl)Cl + [CH2]F <=> Cl[C](Cl)Cl + CF +barrier = 29.927668 kJ/mol +T1 = 0.015958391000000002 + +Atom XYZ coordinates (angstrom) +Cl -0.361873 1.717275 -0.447266 +Cl -0.277613 -1.015238 -1.446687 +Cl -1.792604 -0.392206 0.961075 +F 2.778909 -0.101153 0.4681 +C 1.813424 -0.425221 1.354319 +C -0.419737 0.018112 -0.045577 +H 0.640029 -0.218024 0.69128 +H 1.823736 -1.485289 1.592454 +H 1.790954 0.262042 2.195614 +""", +) + +entry( + index = 3757, + label = "C2H4Cl-4 + C3H6O-4 <=> C2H5Cl-4 + C3H5O-4", + degeneracy = 6.0, + kinetics = Arrhenius(A=(0.00013655,'cm^3/(mol*s)'), n=4.49891, Ea=(31.1378,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.69775, dn = +|- 0.0695401, dEa = +|- 0.378435 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CC(C)DO + C[CH]Cl <=> [CH2]C(C)DO + CCCl +barrier = 49.789541 kJ/mol +T1 = 0.015720124 + +Atom XYZ coordinates (angstrom) +Cl -2.55288 -0.682397 0.627323 +O 2.253911 1.102606 -0.371506 +C -1.242111 1.678011 0.123536 +C -1.123943 0.327575 0.757208 +C 2.822721 -0.894696 0.798542 +C 1.997123 -0.064799 -0.154927 +C 0.816359 -0.71091 -0.755638 +H -0.268661 2.169525 0.140961 +H -1.567621 1.586306 -0.911883 +H -1.965267 2.297838 0.65695 +H -0.159708 -0.304267 0.048616 +H -0.74089 0.297823 1.772453 +H 3.292806 -1.717716 0.258128 +H 3.584538 -0.277212 1.26461 +H 2.179821 -1.338766 1.560902 +H 0.496642 -0.274928 -1.696074 +H 0.756606 -1.792704 -0.702088 +""", +) + +entry( + index = 3758, + label = "HO + C2H3F-4 <=> H2O + C2H2F-4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.99175,'cm^3/(mol*s)'), n=3.90075, Ea=(9.85717,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.47068, dn = +|- 0.0506762, dEa = +|- 0.275778 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CDCF + [OH] <=> O + CD[C]F +barrier = 26.315808 kJ/mol +T1 = 0.023524255 + +Atom XYZ coordinates (angstrom) +F -0.833767 -1.337657 0.192192 +O 2.002264 0.198383 0.34959 +C -1.210172 0.959492 -0.094118 +C -0.443886 -0.074925 0.157322 +H -0.774828 1.945623 -0.105578 +H -2.269949 0.832384 -0.271492 +H 2.160835 0.006082 -0.587575 +H 0.747447 0.0434 0.398126 +""", +) + +entry( + index = 3759, + label = "CH2Cl-2 + C2H5Cl <=> CH3Cl-2 + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.55382e-05,'cm^3/(mol*s)'), n=4.84929, Ea=(27.8877,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.13125, dn = +|- 0.0994164, dEa = +|- 0.54102 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCCl + [CH2]Cl <=> C[CH]Cl + CCl +barrier = 50.861520 kJ/mol +T1 = 0.015074026 + +Atom XYZ coordinates (angstrom) +Cl -2.41674 -0.892456 0.120317 +Cl 2.118904 0.893309 -0.209521 +C -1.447617 1.651524 -0.190997 +C -1.31017 0.392364 0.609753 +C 1.103259 -0.524167 -0.080465 +H -2.439568 2.090114 -0.068413 +H -1.290879 1.450727 -1.250609 +H -0.701283 2.374656 0.138604 +H -1.34663 0.504813 1.688346 +H -0.116517 -0.089331 0.343341 +H 0.91615 -0.973446 -1.04831 +H 1.461542 -1.205417 0.681265 +""", +) + +entry( + index = 3760, + label = "CH2Cl-2 + HO2-4 <=> CH3Cl-2 + O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(35.6412,'cm^3/(mol*s)'), n=2.94589, Ea=(-7.23688,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.20143, dn = +|- 0.0241102, dEa = +|- 0.131207 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [O]O + [CH2]Cl <=> [O][O] + CCl +barrier = 0.791803 kJ/mol +T1 = 0.028382701 + +Atom XYZ coordinates (angstrom) +Cl 1.23793 -0.400159 -0.530662 +O -1.896211 0.21298 0.446543 +O -1.79245 -1.033917 0.154564 +C 0.599113 1.093875 -0.02899 +H -0.956111 0.640213 0.284489 +H 0.925172 1.426318 0.946551 +H 0.454605 1.817895 -0.818582 +""", +) + +entry( + index = 3761, + label = "CHCl2-2 + C2H6O2-2 <=> CH2Cl2-2 + C2H5O2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.96963e-05,'cm^3/(mol*s)'), n=4.46907, Ea=(4.077,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.44871, dn = +|- 0.0486988, dEa = +|- 0.265017 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCOO + Cl[CH]Cl <=> CCO[O] + ClCCl +barrier = 25.173705 kJ/mol +T1 = 0.020802605 + +Atom XYZ coordinates (angstrom) +Cl 0.50722 1.3265 -1.004811 +Cl 1.725639 0.028223 1.32105 +O -1.721456 -0.841929 -0.741067 +O -0.70266 -1.709134 -0.45309 +C -2.248265 -0.317547 0.478129 +C -3.347527 0.645666 0.099488 +C 1.229816 -0.09817 -0.338953 +H -2.612972 -1.149057 1.083017 +H -1.440235 0.183332 1.017886 +H -2.949255 1.458105 -0.506284 +H -3.791318 1.067623 0.999711 +H -4.126148 0.13658 -0.46592 +H 0.226428 -1.036503 -0.382955 +H 2.022187 -0.482567 -0.969255 +""", +) + +entry( + index = 3762, + label = "HO + C2H5Cl <=> H2O + C2H4Cl", + degeneracy = 2.0, + kinetics = Arrhenius(A=(6218.43,'cm^3/(mol*s)'), n=2.91189, Ea=(-4.7845,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06417, dn = +|- 0.00817163, dEa = +|- 0.0444697 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + CCCl <=> O + C[CH]Cl +barrier = 0.385356 kJ/mol +T1 = 0.021562406 + +Atom XYZ coordinates (angstrom) +Cl 1.38254 0.123824 -0.179612 +O -1.613184 1.610208 0.209619 +C -0.7477 -1.588738 -0.293877 +C -0.14502 -0.469269 0.509097 +H -0.930089 -1.268747 -1.317804 +H -1.695712 -1.886229 0.153977 +H -0.080465 -2.450572 -0.309575 +H -0.869729 0.434898 0.499582 +H 0.031796 -0.705957 1.554356 +H -0.87278 2.084387 -0.203832 +""", +) + +entry( + index = 3763, + label = "H + ClHO <=> H2 + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.27408,'cm^3/(mol*s)'), n=3.74123, Ea=(11.0646,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.32679, dn = +|- 0.110949, dEa = +|- 0.60378 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + OCl <=> [H][H] + [O]Cl +barrier = 38.726497 kJ/mol +T1 = 0.023933988 + +Atom XYZ coordinates (angstrom) +Cl 0.668859 0.042522 0.003705 +O -0.91239 -0.399289 0.114186 +H -1.565563 0.577121 0.035559 +H -2.080324 1.348837 -0.039559 +""", +) + +entry( + index = 3764, + label = "CH3-2 + C2H5F <=> CH4-2 + C2H4F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(0.00466914,'cm^3/(mol*s)'), n=4.66453, Ea=(38.174,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.98447, dn = +|- 0.0900414, dEa = +|- 0.490002 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CCF + [CH3] <=> C + [CH2]CF +barrier = 60.503040 kJ/mol +T1 = 0.015049729 + +Atom XYZ coordinates (angstrom) +F 1.091917 -0.935133 0.447669 +C -0.089789 1.102667 0.355076 +C 1.041741 0.296036 -0.194302 +C -2.204503 -0.445453 -0.189892 +H -1.175929 0.383404 0.114343 +H -0.254612 2.03846 -0.17219 +H -0.06044 1.22749 1.433962 +H 2.011084 0.77663 -0.038008 +H 0.915094 0.102695 -1.261148 +H -2.438609 -0.234212 -1.227573 +H -1.793242 -1.434094 -0.02093 +H -2.991797 -0.169332 0.50246 +""", +) + +entry( + index = 3765, + label = "C2H4F-4 + CH3F <=> C2H5F-4 + CH2F", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1.37925e-05,'cm^3/(mol*s)'), n=5.01782, Ea=(34.286,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.42731, dn = +|- 0.116506, dEa = +|- 0.63402 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: CF + [CH2]CF <=> CCF + [CH2]F +barrier = 59.013443 kJ/mol +T1 = 0.015828998 + +Atom XYZ coordinates (angstrom) +F 1.751829 -0.801066 0.380171 +F -1.573402 -0.463192 1.451363 +C 1.386436 0.529438 0.557007 +C -1.477106 -0.817929 0.137754 +C 0.426483 0.923476 -0.516928 +H 2.306692 1.118945 0.532118 +H 0.934855 0.615416 1.546084 +H -1.043806 -1.808437 0.035095 +H -2.423195 -0.66382 -0.374174 +H -0.588799 0.0392 -0.363227 +H 0.789647 0.766601 -1.528612 +H -0.035125 1.895252 -0.36855 +""", +) + +entry( + index = 3766, + label = "CHF2-2 + C2H4F2-3 <=> CH2F2-2 + C2H3F2-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.9115e-07,'cm^3/(mol*s)'), n=5.63673, Ea=(27.7634,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.18764, dn = +|- 0.152307, dEa = +|- 0.828847 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCCF + F[CH]F <=> FCF + F[CH]CF +barrier = 53.576415 kJ/mol +T1 = 0.016210506 + +Atom XYZ coordinates (angstrom) +F 1.142222 -1.726661 -0.056359 +F 1.540023 1.025313 -0.808629 +F -2.576892 -0.291214 -0.206258 +F -1.510244 1.592245 0.072449 +C 0.728736 -0.634838 0.642954 +C 1.649057 0.526346 0.479984 +C -1.469444 0.389669 -0.519012 +H -0.406776 -0.228538 0.057401 +H 0.490534 -0.9018 1.670261 +H 2.690606 0.235084 0.633138 +H 1.373283 1.317892 1.177248 +H -1.336661 0.478335 -1.595687 +""", +) + +entry( + index = 3767, + label = "C2H3Cl2-4 + H2O2 <=> C2H4Cl2-4 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.12078e-05,'cm^3/(mol*s)'), n=4.69251, Ea=(7.52712,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.70819, dn = +|- 0.0703457, dEa = +|- 0.382819 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + Cl[CH]CCl <=> [O]O + ClCCCl +barrier = 32.084100 kJ/mol +T1 = 0.019729677 + +Atom XYZ coordinates (angstrom) +Cl 0.357084 1.560543 0.823073 +Cl -2.305888 -0.589618 0.470377 +O 2.619054 -0.764842 1.050178 +O 2.492447 -0.657225 -0.317598 +C 0.165119 0.248535 -0.303599 +C -0.559886 -0.94013 0.226431 +H 1.411866 -0.212738 -0.457523 +H -0.137834 0.61126 -1.280017 +H -0.498196 -1.757384 -0.486884 +H -0.152902 -1.250367 1.184244 +H 2.977446 0.093581 1.316615 +""", +) + +entry( + index = 3768, + label = "C3HF4-5 + HO-4 <=> C3H2F4-5 + O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(12.8626,'cm^3/(mol*s)'), n=3.39388, Ea=(4.0743,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13573, dn = +|- 0.0167216, dEa = +|- 0.0909985 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [OH] + [CH]DC(F)C(F)(F)F <=> CDC(F)C(F)(F)F + [O] +barrier = 18.008158 kJ/mol +T1 = 0.017575854 + +Atom XYZ coordinates (angstrom) +F 1.756933 0.086297 -1.206137 +F 1.388352 -1.329296 0.38126 +F 1.623223 0.769344 0.828568 +F -0.642733 1.330097 -0.645408 +O -3.622719 -0.024457 -0.383077 +C 1.125507 -0.098661 -0.049151 +C -0.363856 0.10423 -0.215171 +C -1.270741 -0.801973 0.029641 +H -1.184505 -1.817241 0.376803 +H -2.588419 -0.367048 -0.203395 +""", +) + +entry( + index = 3769, + label = "H + C2H5Cl-2 <=> H2 + C2H4Cl-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(3144.11,'cm^3/(mol*s)'), n=3.15729, Ea=(26.2295,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.82495, dn = +|- 0.0790319, dEa = +|- 0.430089 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [H] + CCCl <=> [H][H] + [CH2]CCl +barrier = 43.770768 kJ/mol +T1 = 0.015709211 + +Atom XYZ coordinates (angstrom) +Cl -1.142365 -0.150848 0.076729 +C 1.554413 -0.117073 -0.254085 +C 0.403968 0.759327 0.117546 +H 1.580162 -1.092585 0.698812 +H 1.43774 -0.670303 -1.179991 +H 2.527796 0.352428 -0.142199 +H 0.506059 1.155385 1.124448 +H 0.281164 1.590201 -0.57558 +H 1.542498 -1.699733 1.38159 +""", +) + +entry( + index = 3770, + label = "CF3-2 + C2H2F4 <=> CHF3-2 + C2HF4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.67026e-07,'cm^3/(mol*s)'), n=5.75277, Ea=(23.9339,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.24053, dn = +|- 0.154468, dEa = +|- 0.840611 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCC(F)(F)F + F[C](F)F <=> FC(F)F + F[CH]C(F)(F)F +barrier = 49.331018 kJ/mol +T1 = 0.015692215 + +Atom XYZ coordinates (angstrom) +F 0.592669 1.831185 0.68197 +F 1.490103 -1.467872 -0.051455 +F 2.786629 0.262095 -0.055687 +F 1.15027 0.146018 -1.450879 +F -2.19145 0.742299 -0.916595 +F -2.724028 -0.329306 0.885744 +F -1.760156 -1.370534 -0.747445 +C 0.59871 0.491479 0.799852 +C 1.524916 -0.142515 -0.205179 +C -1.841632 -0.226707 -0.093222 +H -0.609189 0.073704 0.432548 +H 0.775257 0.164726 1.821543 +""", +) + +entry( + index = 3771, + label = "C2H3 + CHFO <=> C2H4 + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000961508,'cm^3/(mol*s)'), n=4.61828, Ea=(9.74126,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.66237, dn = +|- 0.0667729, dEa = +|- 0.363376 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCF + [CH]DC <=> CDC + OD[C]F +barrier = 28.173348 kJ/mol +T1 = 0.021470529 + +Atom XYZ coordinates (angstrom) +F 1.077733 1.198934 -0.011884 +O 2.0753 -0.751777 -0.319886 +C -2.213462 0.313939 0.138157 +C 1.094591 -0.1334 -0.170734 +C -1.501299 -0.769535 -0.046311 +H -3.296441 0.274081 0.216722 +H -1.751746 1.291724 0.219635 +H -0.133548 -0.549692 -0.125313 +H -1.791526 -1.806507 -0.148134 +""", +) + +entry( + index = 3772, + label = "C3H7-4 + CH2Cl2 <=> C3H8-4 + CHCl2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.59149e-05,'cm^3/(mol*s)'), n=4.49815, Ea=(13.5704,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.66212, dn = +|- 0.0667536, dEa = +|- 0.363271 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CC + ClCCl <=> CCC + Cl[CH]Cl +barrier = 33.514725 kJ/mol +T1 = 0.014459804 + +Atom XYZ coordinates (angstrom) +Cl -1.346263 -0.40955 -0.960539 +Cl -0.59876 -1.80697 1.511801 +C 1.922047 0.993777 -0.396538 +C 2.391675 -0.452094 -0.509476 +C -0.992123 -0.282003 0.749699 +C 1.19296 1.265135 0.891384 +H 1.277323 1.243999 -1.242079 +H 2.784842 1.665953 -0.465342 +H 1.544643 -1.138887 -0.502378 +H 3.038798 -0.713967 0.328929 +H 2.948741 -0.615885 -1.430925 +H 0.084309 0.499889 0.859241 +H -1.810822 0.200667 1.268635 +H 0.790482 2.268004 1.009796 +H 1.688778 0.903718 1.79062 +""", +) + +entry( + index = 3773, + label = "C2H3Cl2-3 + CHCl3-2 <=> C2H4Cl2-3 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00273444,'cm^3/(mol*s)'), n=4.07359, Ea=(3.21917,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.24222, dn = +|- 0.0284966, dEa = +|- 0.155077 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClC(Cl)Cl + [CH2]C(Cl)Cl <=> Cl[C](Cl)Cl + CC(Cl)Cl +barrier = 17.654088 kJ/mol +T1 = 0.014919935 + +Atom XYZ coordinates (angstrom) +Cl -3.102912 -0.945161 0.669335 +Cl -1.79431 1.005274 -1.085245 +Cl 1.421263 1.9358 0.675904 +Cl 1.859353 0.780938 -1.962184 +Cl 3.035064 -0.471318 0.386202 +C -0.472156 -1.026772 0.091156 +C -1.575616 -0.060073 0.322356 +C 1.710437 0.478819 -0.251435 +H 0.659883 -0.245533 -0.086556 +H -0.214018 -1.625349 0.959508 +H -0.536744 -1.57815 -0.841424 +H -1.404784 0.582761 1.178157 +""", +) + +entry( + index = 3774, + label = "C2H3Cl2-3 + H2O2 <=> C2H4Cl2-3 + HO2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000118524,'cm^3/(mol*s)'), n=4.16726, Ea=(1.40365,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.26624, dn = +|- 0.0310125, dEa = +|- 0.168769 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: OO + [CH2]C(Cl)Cl <=> [O]O + CC(Cl)Cl +barrier = 22.683387 kJ/mol +T1 = 0.018855461 + +Atom XYZ coordinates (angstrom) +Cl -2.18859 0.466091 -0.299198 +Cl -0.123996 -1.535073 0.260047 +O 2.555387 -0.016288 -0.758648 +O 2.602783 0.524381 0.515019 +C 0.17304 1.085834 0.833323 +C -0.422245 0.171468 -0.172927 +H 1.524055 0.82935 0.737553 +H -0.06389 0.853243 1.866073 +H 0.114186 2.13672 0.56824 +H -0.015223 0.315063 -1.166695 +H 2.419235 -0.960302 -0.592002 +""", +) + +entry( + index = 3775, + label = "CHCl2-2 + CHCl3-2 <=> CH2Cl2-2 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.000559152,'cm^3/(mol*s)'), n=4.65977, Ea=(13.3157,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.72924, dn = +|- 0.0719547, dEa = +|- 0.391575 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ClC(Cl)Cl + Cl[CH]Cl <=> Cl[C](Cl)Cl + ClCCl +barrier = 30.983605 kJ/mol +T1 = 0.015637059 + +Atom XYZ coordinates (angstrom) +Cl -1.969954 1.472707 -0.527508 +Cl -1.974174 -1.459521 -0.543889 +Cl 1.724841 1.450111 0.852775 +Cl 1.720576 -1.463848 0.834856 +Cl 1.376212 0.008954 -1.653796 +C -1.504613 0.001429 0.268319 +C 1.149646 -0.001293 0.073092 +H -0.161922 -0.000325 0.23735 +H -1.79634 -0.003977 1.31155 +""", +) + +entry( + index = 3776, + label = "CH3-2 + ClH-2 <=> CH4-2 + Cl-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4677.76,'cm^3/(mol*s)'), n=2.63464, Ea=(-2.22503,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13161, dn = +|- 0.0162445, dEa = +|- 0.088402 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: Cl + [CH3] <=> [Cl] + C +barrier = 9.477311 kJ/mol +T1 = 0.016002328 + +Atom XYZ coordinates (angstrom) +Cl 1.137777 0.287164 -0.003123 +C -1.729909 -0.036728 0.001011 +H -1.968564 0.442015 0.940637 +H -1.977966 0.500922 -0.903669 +H -1.793328 -1.115564 -0.033126 +H -0.272033 0.128059 -0.00109 +""", +) + +entry( + index = 3777, + label = "C2H3 + C2H2F4-2 <=> C2H4 + C2HF4-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00109962,'cm^3/(mol*s)'), n=4.67942, Ea=(9.4597,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.67821, dn = +|- 0.0680193, dEa = +|- 0.370158 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FC(F)C(F)F + [CH]DC <=> CDC + F[C](F)C(F)F +barrier = 27.695566 kJ/mol +T1 = 0.016369539 + +Atom XYZ coordinates (angstrom) +F -1.300918 -0.496855 -1.43199 +F -0.675087 -1.905244 0.10951 +F -0.205785 0.170038 1.819382 +F -0.833041 1.582383 0.273729 +C -0.555718 -0.646404 -0.329988 +C -1.00058 0.328717 0.741532 +C 2.541011 0.821991 -0.242527 +C 2.009405 -0.160718 -0.927758 +H 0.697405 -0.429355 -0.64066 +H -2.043115 0.187823 1.03587 +H 1.972822 1.375638 0.496405 +H 3.575258 1.119744 -0.389997 +H 2.442027 -0.797497 -1.687782 +""", +) + +entry( + index = 3778, + label = "C2H3F2-6 + CH2F2 <=> C2H4F2-6 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(7.77925e-07,'cm^3/(mol*s)'), n=5.34451, Ea=(25.0662,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.7748, dn = +|- 0.134084, dEa = +|- 0.729679 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + [CH2]C(F)F <=> CC(F)F + F[CH]F +barrier = 51.317844 kJ/mol +T1 = 0.016129837 + +Atom XYZ coordinates (angstrom) +F -1.188811 -0.806893 -1.266892 +F -2.759966 -0.304728 0.166194 +F 2.716479 0.622793 0.263739 +F 1.699698 -1.307458 0.176045 +C -0.678513 0.773204 0.368679 +C -1.413304 -0.47942 0.039785 +C 1.752607 -0.074061 -0.347254 +H 0.595169 0.471753 -0.03564 +H -0.603426 0.992853 1.427479 +H -0.967752 1.617528 -0.249319 +H -1.129614 -1.336476 0.649641 +H 1.902631 -0.108641 -1.425249 +""", +) + +entry( + index = 3779, + label = "O + CHFO <=> HO-2 + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.36402,'cm^3/(mol*s)'), n=4.13436, Ea=(22.3122,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.77664, dn = +|- 0.134171, dEa = +|- 0.730152 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCF + [O] <=> [OH] + OD[C]F +barrier = 45.416897 kJ/mol +T1 = 0.02930241 + +Atom XYZ coordinates (angstrom) +F 0.704514 1.179012 0.034489 +O 1.163267 -0.989968 0.05598 +O -2.091113 -0.286004 0.203748 +C 0.406692 -0.105541 0.085092 +H -0.879222 -0.209605 0.169398 +""", +) + +entry( + index = 3780, + label = "C2H4Cl-3 + CHCl3-2 <=> C2H5Cl-3 + CCl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(0.00281257,'cm^3/(mol*s)'), n=4.27761, Ea=(6.16119,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.37036, dn = +|- 0.0413947, dEa = +|- 0.225269 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: [CH2]CCl + ClC(Cl)Cl <=> CCCl + Cl[C](Cl)Cl +barrier = 21.978482 kJ/mol +T1 = 0.014863073000000001 + +Atom XYZ coordinates (angstrom) +Cl 2.654845 -0.653294 0.107131 +Cl -2.337119 0.976482 -0.077517 +Cl -0.912995 -1.13268 1.333251 +Cl -0.692072 -0.910046 -1.56213 +C 1.153541 1.605632 0.095832 +C 2.239241 0.915088 -0.659655 +C -0.926009 -0.064183 -0.046182 +H 0.085708 0.73643 0.072734 +H 0.740852 2.482318 -0.396739 +H 1.328604 1.732642 1.159753 +H 3.159832 1.498187 -0.674401 +H 1.945646 0.695429 -1.683113 +""", +) + +entry( + index = 3781, + label = "H + CHFO <=> H2 + CFO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.99492,'cm^3/(mol*s)'), n=3.94282, Ea=(19.4338,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.83304, dn = +|- 0.136813, dEa = +|- 0.74453 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: ODCF + [H] <=> [H][H] + OD[C]F +barrier = 45.810726 kJ/mol +T1 = 0.023445017000000002 + +Atom XYZ coordinates (angstrom) +F -0.900437 -0.719793 0.051157 +O 1.203252 -0.032145 -0.031038 +C 0.060537 0.197756 0.004802 +H -0.517384 1.399868 -0.000971 +H -0.950738 2.253291 -0.023945 +""", +) + +entry( + index = 3782, + label = "C2H3 + CH2F2 <=> C2H4 + CHF2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.000139827,'cm^3/(mol*s)'), n=4.99673, Ea=(12.5134,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 2.02412, dn = +|- 0.0926404, dEa = +|- 0.504146 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: FCF + [CH]DC <=> CDC + F[CH]F +barrier = 34.797512 kJ/mol +T1 = 0.017810773000000002 + +Atom XYZ coordinates (angstrom) +F -0.808285 -1.220701 -0.22321 +F -1.646047 0.60216 0.642194 +C -0.93564 0.10754 -0.381373 +C 2.314895 -0.250161 0.173144 +C 1.605537 0.826593 -0.067918 +H 0.263895 0.590054 -0.301026 +H -1.415428 0.336745 -1.332795 +H 3.380807 -0.198855 0.37705 +H 1.862065 -1.23555 0.181464 +H 1.917617 1.862424 -0.101707 +""", +) + +entry( + index = 3783, + label = "C2HF4-4 + CH2O <=> C2H2F4-4 + CHO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(0.00051631,'cm^3/(mol*s)'), n=4.88755, Ea=(8.43732,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.79124, dn = +|- 0.0765824, dEa = +|- 0.416759 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)C(F)F + CDO <=> FC(F)C(F)F + [CH]DO +barrier = 28.017809 kJ/mol +T1 = 0.01931799 + +Atom XYZ coordinates (angstrom) +F -1.398763 -0.748738 1.165657 +F -1.241954 1.29446 0.402869 +F -0.177388 -1.680615 -1.089226 +F -0.020933 0.356285 -1.849508 +O 3.138582 -0.168971 0.52037 +C -1.37015 2.8e-05 0.043211 +C -0.143059 -0.390694 -0.751086 +C 2.041207 0.053781 0.890228 +H -2.306986 -0.132175 -0.503486 +H 1.02777 -0.152313 0.128666 +H 1.786071 0.448522 1.89497 +""", +) + +entry( + index = 3784, + label = "CF3-2 + CHClF2-2 <=> CHF3-2 + CClF2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.64096e-07,'cm^3/(mol*s)'), n=5.85006, Ea=(17.5695,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 3.18867, dn = +|- 0.152349, dEa = +|- 0.829078 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ""", + longDesc = +""" +Training reaction from kinetics library: autotst/H_Abstraction +Original entry: F[C](F)F + FC(F)Cl <=> FC(F)F + F[C](F)Cl +barrier = 44.289027 kJ/mol +T1 = 0.016233895 + +Atom XYZ coordinates (angstrom) +Cl -1.949757 1.020164 -0.244654 +F -1.37296 -1.401944 -0.809435 +F -1.450743 -0.950372 1.30015 +F 2.199361 -1.083822 0.341092 +F 1.850288 0.479722 -1.112327 +F 1.792674 0.935496 1.001302 +C -1.123228 -0.477749 0.106522 +C 1.527891 0.02319 0.084094 +H 0.173034 -0.236244 0.1014 +""", +) + +entry( + index = 3785, + label = "Cl + CH4 <=> ClH-2 + CH3-3", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.36534e-19,'cm^3/(molecule*s)'), n=2.6, Ea=(3201.07,'J/mol'), T0=(1,'K')), + rank = 1, + shortDesc = """Cl + CH4 <=> HCl + CH3""", + longDesc = +""" +Kinetics of Cl atom reactions with methane, ethane, and propane from 292 to 800 K +J. S. Pilgrim, A. McIlroy, and C. A. Taatjes, J. Phys. Chem. A 101, 1873 (1997) +PLP-LIF Measurement from 292-800 K +""", +) + +entry( + index = 3786, + label = "Cl + CH4O-2 <=> ClH-2 + CH3O-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.65431e-19,'cm^3/(molecule*s)'), n=2.5, Ea=(30470,'J/mol'), T0=(1,'K')), + rank = 5, + shortDesc = """Cl + CH3OH <=> HCl + CH3O""", + longDesc = +""" +Theoretical study of the kinetics of the hydrogen abstraction from methanol. 2. Reaction of methanol with chlorine and bromine atoms +Jodkowski, J.T.; Rayez, M-T.; Rayez, J-C.; Berces, T.; Dobe, S., JPCA, 102, 9230-9243, 1998 +300-1000 K, Theoretical Predictions +""", +) + +entry( + index = 3787, + label = "Cl + H2O-2 <=> ClH-2 + HO", + degeneracy = 2.0, + kinetics = Arrhenius(A=(2.79e-11,'cm^3/(molecule*s)'), n=0, Ea=(72086.5,'J/mol'), T0=(1,'K')), + rank = 5, + shortDesc = """Cl + H2O <=> HCl + OH""", + longDesc = +""" +Evaluated kinetic data for high temperature reactions. Volume 4 Homogeneous gas phase reactions of halogen- and cyanide- containing species +Baulch, D.L.; Duxbury, J.; Grant, S.J.; Montague, D.C., J. Phys. Chem. Ref. Data, 10, 1981. +210-500 K +""", +) + +entry( + index = 3788, + label = "Cl + H2O2 <=> ClH-2 + HO2-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.1e-11,'cm^3/(molecule*s)'), n=0, Ea=(8148.18,'J/mol'), T0=(1,'K')), + rank = 1, + shortDesc = """Cl + H2O2 <=> HCl + HO2""", + longDesc = +""" +Evaluated kinetic and photochemical data for atmospheric chemistry: Volume III - gas phase reactions of inorganic halogens +Atkinson, R.;Baulch, D.L.;Cox, R.A.;Crowley, J.N.;Hampson, R.F.;Hynes, R.G.;Jenkin, M.E.;Rossi, M.J.;Troe, J., Atmos. Chem. Phys., 7, 981-1191, 2007 +260-430 K +""", +) + +entry( + index = 3789, + label = "Cl + H2-2 <=> ClH-2 + H", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.59e-16,'cm^3/(molecule*s)'), n=1.588, Ea=(13984.9,'J/mol'), T0=(1,'K')), + rank = 1, + shortDesc = """Cl + H2 <=> HCl + H""", + longDesc = +""" +Thermal rate constants for the Cl+H2 and Cl+D2 reactions between 296 and 3000 K +Kumaran, S.S.; Lim, K.P.; Michael, J.V., J. Chem. Phys., 101, 9487 - 9498, 1994 +200-2950 K, from fit to experimental data +""", +) + +entry( + index = 3790, + label = "C6H6 + H <=> H2 + C6H5", + degeneracy = 6.0, + kinetics = Arrhenius(A=(5.38e+09,'cm^3/(mol*s)'), n=1.582, Ea=(15.689,'kcal/mol'), T0=(1,'K')), + reference = Article( + authors = ['Dingyu Hou', 'Xiaoqing You'], + title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', + journal = 'Physical Chemistry Chemical Physics', + volume = '19', + pages = '30772-30780', + year = '2017', + ), + referenceType = "theory", + rank = 3, + longDesc = +""" +CCSD(T)/cc-pV(D,T)Z//B3LYP/6-311g(d,p) +Rate calculations using conventional TST, done with Multiwell 2016 +1D Eckart tunneling corrections +""", +) + +entry( + index = 3791, + label = "C10H8 + H <=> H2 + C10H7", + degeneracy = 4.0, + kinetics = Arrhenius(A=(2.47e+09,'cm^3/(mol*s)'), n=1.619, Ea=(15.572,'kcal/mol'), T0=(1,'K')), + reference = Article( + authors = ['Dingyu Hou', 'Xiaoqing You'], + title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', + journal = 'Physical Chemistry Chemical Physics', + volume = '19', + pages = '30772-30780', + year = '2017', + ), + referenceType = "theory", + rank = 5, + longDesc = +""" +CCSD(T)/cc-pV(D,T)Z//B3LYP/6-311g(d,p) +Rate calculations using conventional TST, done with Multiwell 2016 +1D Eckart tunneling corrections +""", +) + +entry( + index = 3792, + label = "C14H10 + H <=> H2 + C14H9", + degeneracy = 2.0, + kinetics = Arrhenius(A=(8.33e+08,'cm^3/(mol*s)'), n=1.658, Ea=(16.676,'kcal/mol'), T0=(1,'K')), + reference = Article( + authors = ['Dingyu Hou', 'Xiaoqing You'], + title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', + journal = 'Physical Chemistry Chemical Physics', + volume = '19', + pages = '30772-30780', + year = '2017', + ), + referenceType = "theory", + rank = 7, + longDesc = +""" +M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) +Rate calculations using conventional TST, done with Multiwell 2016 +1D Eckart tunneling corrections +""", +) + +entry( + index = 3793, + label = "C14H10-2 + H <=> H2 + C14H9-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.63e+08,'cm^3/(mol*s)'), n=1.692, Ea=(16.133,'kcal/mol'), T0=(1,'K')), + reference = Article( + authors = ['Dingyu Hou', 'Xiaoqing You'], + title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', + journal = 'Physical Chemistry Chemical Physics', + volume = '19', + pages = '30772-30780', + year = '2017', + ), + referenceType = "theory", + rank = 7, + longDesc = +""" +M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) +Rate calculations using conventional TST, done with Multiwell 2016 +1D Eckart tunneling corrections +""", +) + +entry( + index = 3794, + label = "C18H12 + H <=> H2 + C18H11", + degeneracy = 4.0, + kinetics = Arrhenius(A=(1.03e+09,'cm^3/(mol*s)'), n=1.716, Ea=(16.304,'kcal/mol'), T0=(1,'K')), + reference = Article( + authors = ['Dingyu Hou', 'Xiaoqing You'], + title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', + journal = 'Physical Chemistry Chemical Physics', + volume = '19', + pages = '30772-30780', + year = '2017', + ), + referenceType = "theory", + rank = 7, + longDesc = +""" +M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) +Rate calculations using conventional TST, done with Multiwell 2016 +1D Eckart tunneling corrections +""", +) + +entry( + index = 3795, + label = "C16H10 + H <=> H2 + C16H9", + degeneracy = 2.0, + kinetics = Arrhenius(A=(9.08e+08,'cm^3/(mol*s)'), n=1.665, Ea=(16.222,'kcal/mol'), T0=(1,'K')), + reference = Article( + authors = ['Dingyu Hou', 'Xiaoqing You'], + title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', + journal = 'Physical Chemistry Chemical Physics', + volume = '19', + pages = '30772-30780', + year = '2017', + ), + referenceType = "theory", + rank = 7, + longDesc = +""" +M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) +Rate calculations using conventional TST, done with Multiwell 2016 +1D Eckart tunneling corrections +""", +) + +entry( + index = 3796, + label = "C22H14 + H <=> H2 + C22H13", + degeneracy = 2.0, + kinetics = Arrhenius(A=(4.89e+09,'cm^3/(mol*s)'), n=1.508, Ea=(19.882,'kcal/mol'), T0=(1,'K')), + reference = Article( + authors = ['Dingyu Hou', 'Xiaoqing You'], + title = 'Reaction kinetics of hydrogen abstraction from polycyclic aromatic hydrocarbons by H atoms', + journal = 'Physical Chemistry Chemical Physics', + volume = '19', + pages = '30772-30780', + year = '2017', + ), + referenceType = "theory", + rank = 7, + longDesc = +""" M06-2X/6-311g(d,p)//B3LYP/6-311g(d,p) Rate calculations using conventional TST, done with Multiwell 2016 1D Eckart tunneling corrections diff --git a/input/kinetics/families/Intra_RH_Add_Endocyclic/groups.py b/input/kinetics/families/Intra_RH_Add_Endocyclic/groups.py index eba8023729..1d83634d26 100644 --- a/input/kinetics/families/Intra_RH_Add_Endocyclic/groups.py +++ b/input/kinetics/families/Intra_RH_Add_Endocyclic/groups.py @@ -45,7 +45,7 @@ group = """ 1 *1 R!H u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -56,7 +56,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *2 C u0 {3,S} {5,D} 5 *3 C u0 {4,D} @@ -70,7 +70,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *2 C u0 {3,S} {5,D} 5 *3 C u0 {4,D} @@ -84,7 +84,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *2 C u0 {3,S} {5,D} 5 *3 C u0 {4,D} @@ -98,7 +98,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *2 C u0 {3,S} {5,D} 5 *3 C u0 {4,D} @@ -112,7 +112,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *2 C u0 {3,S} {5,D} 5 *3 C u0 {4,D} @@ -133,7 +133,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,D} @@ -148,7 +148,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,D} 4 *6 R!H u0 {3,D} {5,S} 5 *2 C u0 {4,S} {6,D} @@ -163,7 +163,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,D} @@ -178,7 +178,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,S} {4,T} 4 *6 Ct u0 {3,T} {5,S} 5 *2 C u0 {4,S} {6,D} @@ -193,7 +193,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,D} @@ -208,7 +208,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,S} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *2 C u0 {4,S} {6,D} @@ -223,7 +223,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,D} @@ -245,7 +245,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -261,7 +261,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -277,7 +277,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[S,D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[S,D,T,B]} {6,S} @@ -293,7 +293,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -309,7 +309,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -325,7 +325,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -341,7 +341,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -357,7 +357,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -373,7 +373,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -389,7 +389,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -405,7 +405,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -421,7 +421,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -437,7 +437,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -453,7 +453,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -469,7 +469,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,S} {4,B} 4 *6 Cbf u0 {3,B} {5,B} 5 *7 Cb u0 {4,B} {6,S} @@ -485,7 +485,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -508,7 +508,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -525,7 +525,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -542,7 +542,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -559,7 +559,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -576,7 +576,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -593,7 +593,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -610,7 +610,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -627,7 +627,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -644,7 +644,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -661,7 +661,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -678,7 +678,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -695,7 +695,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -712,7 +712,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -729,7 +729,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -746,7 +746,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -763,7 +763,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -780,7 +780,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -797,7 +797,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -814,7 +814,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -831,7 +831,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -848,7 +848,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -865,7 +865,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -882,7 +882,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -899,7 +899,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -916,7 +916,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -933,7 +933,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -950,7 +950,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -967,7 +967,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -984,7 +984,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -1001,7 +1001,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,S} {4,B} 4 *6 Cbf u0 {3,B} {5,B} 5 *8 Cb u0 {4,B} {6,S} @@ -1019,8 +1019,8 @@ """ 1 *2 C u0 {2,D} 2 *3 C u0 {1,D} {3,S} {4,S} -3 H u0 {2,S} -4 H u0 {2,S} +3 [H,Val7] u0 {2,S} +4 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1033,8 +1033,8 @@ 1 *2 C u0 {2,D} {3,S} 2 *3 C u0 {1,D} {4,S} {5,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {2,S} -5 H u0 {2,S} +4 [H,Val7] u0 {2,S} +5 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1047,8 +1047,8 @@ 1 *2 C u0 {2,D} {3,S} 2 *3 C u0 {1,D} {4,S} {5,S} 3 [Cs,O,S] u0 {1,S} -4 H u0 {2,S} -5 H u0 {2,S} +4 [H,Val7] u0 {2,S} +5 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1060,9 +1060,9 @@ """ 1 *2 C u0 {2,D} {3,S} 2 *3 C u0 {1,D} {4,S} {5,S} -3 H u0 {1,S} -4 H u0 {2,S} -5 H u0 {2,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {2,S} +5 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1073,7 +1073,7 @@ group = """ 1 *1 Cs u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1084,7 +1084,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cs,O,S2s] u0 {1,S} 4 [Cs,O,S2s] u0 {1,S} """, @@ -1097,7 +1097,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cs,O,S2s] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, @@ -1110,7 +1110,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, @@ -1123,8 +1123,8 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} -2 *4 H u0 {1,S} -3 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1135,9 +1135,9 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cs,O,S2s] u0 {1,S} -4 H u0 {1,S} +4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1148,9 +1148,9 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {1,S} +4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1161,7 +1161,7 @@ group = """ 1 *1 O u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1172,7 +1172,7 @@ group = """ 1 *1 Cb u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1183,7 +1183,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 R u0 {1,S} """, kinetics = None, @@ -1195,7 +1195,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 R!H u0 {1,D} """, kinetics = None, @@ -1207,7 +1207,7 @@ group = """ 1 *1 CO u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 O u0 {1,D} """, kinetics = None, @@ -1219,7 +1219,7 @@ group = """ 1 *1 Ct u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1230,7 +1230,7 @@ group = """ 1 *1 CS u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 S u0 {1,D} """, kinetics = None, diff --git a/input/kinetics/families/Intra_RH_Add_Exocyclic/groups.py b/input/kinetics/families/Intra_RH_Add_Exocyclic/groups.py index 7dbe6609c8..9a4b31ab69 100644 --- a/input/kinetics/families/Intra_RH_Add_Exocyclic/groups.py +++ b/input/kinetics/families/Intra_RH_Add_Exocyclic/groups.py @@ -45,7 +45,7 @@ group = """ 1 *1 R!H u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -56,7 +56,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *2 C u0 {3,S} {5,[D,T]} 5 *3 [C,O,S2d] u0 c0 {4,[D,T]} @@ -70,7 +70,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *2 C u0 {3,S} {5,[D,T]} 5 *3 [C,O,S2d] u0 c0 {4,[D,T]} @@ -84,7 +84,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *2 C u0 {3,S} {5,[D,T]} 5 *3 [C,O,S2d] u0 c0 {4,[D,T]} @@ -98,7 +98,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *2 C u0 {3,S} {5,[D,T]} 5 *3 [C,O,S2d] u0 c0 {4,[D,T]} @@ -112,7 +112,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *2 C u0 {3,S} {5,[D,T]} 5 *3 [C,O,S2d] u0 c0 {4,[D,T]} @@ -133,7 +133,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,[D,T]} @@ -148,7 +148,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,D} 4 *6 R!H u0 {3,D} {5,S} 5 *2 C u0 {4,S} {6,[D,T]} @@ -163,7 +163,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,[D,T]} @@ -178,7 +178,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,S} {4,T} 4 *6 Ct u0 {3,T} {5,S} 5 *2 C u0 {4,S} {6,[D,T]} @@ -193,7 +193,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,[D,T]} @@ -208,7 +208,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,S} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *2 C u0 {4,S} {6,[D,T]} @@ -223,7 +223,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *2 C u0 {4,S} {6,[D,T]} @@ -245,7 +245,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -261,7 +261,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -277,7 +277,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[S,D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[S,D,T,B]} {6,S} @@ -293,7 +293,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -309,7 +309,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -325,7 +325,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -341,7 +341,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -357,7 +357,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -373,7 +373,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -389,7 +389,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -405,7 +405,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,[S,D,T,B]} 5 *7 R!H u0 {4,[S,D,T,B]} {6,S} @@ -421,7 +421,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -437,7 +437,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *7 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -453,7 +453,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -469,7 +469,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,S} {4,B} 4 *6 Cbf u0 {3,B} {5,B} 5 *7 Cb u0 {4,B} {6,S} @@ -485,7 +485,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *7 R!H u0 {4,S} {6,S} @@ -508,7 +508,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -525,7 +525,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -542,7 +542,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -559,7 +559,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -576,7 +576,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -593,7 +593,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -610,7 +610,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -627,7 +627,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -644,7 +644,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -661,7 +661,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -678,7 +678,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -695,7 +695,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -712,7 +712,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 R!H u0 {3,S} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -729,7 +729,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -746,7 +746,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -763,7 +763,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -780,7 +780,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -797,7 +797,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 [Cd,Ct,Cb] u0 {3,S} {5,[D,T,B]} 5 *8 [Cd,Ct,Cb] u0 {4,[D,T,B]} {6,S} @@ -814,7 +814,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -831,7 +831,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -848,7 +848,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 [Cd,Ct,Cb] u0 {1,S} {4,[D,T,B]} 4 *6 [Cd,Ct,Cb] u0 {3,[D,T,B]} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -865,7 +865,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *8 R!H u0 {4,S} {6,[S,D,T,B]} @@ -882,7 +882,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *8 R!H u0 {4,S} {6,S} @@ -899,7 +899,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cbf u0 {1,B} {4,B} 4 *6 Cb u0 {3,B} {5,S} 5 *8 [Cd,Ct,Cb] u0 {4,S} {6,[D,T,B]} @@ -916,7 +916,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,[S,D,T,B]} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,[S,D,T,B]} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -933,7 +933,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 R!H u0 {1,S} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -950,7 +950,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cd u0 {1,D} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -967,7 +967,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,T} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Ct u0 {1,T} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -984,7 +984,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,B} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,B} {4,S} 4 *6 Cb u0 {3,S} {5,B} 5 *8 Cbf u0 {4,B} {6,B} @@ -1001,7 +1001,7 @@ group = """ 1 *1 R!H u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 *5 Cb u0 {1,S} {4,B} 4 *6 Cbf u0 {3,B} {5,B} 5 *8 Cb u0 {4,B} {6,S} @@ -1030,8 +1030,8 @@ """ 1 *2 Cd u0 {2,D} 2 *3 Cd u0 c0 {1,D} {3,S} {4,S} -3 H u0 {2,S} -4 H u0 {2,S} +3 [H,Val7] u0 {2,S} +4 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1044,8 +1044,8 @@ 1 *2 Cd u0 {2,D} {3,S} 2 *3 Cd u0 c0 {1,D} {4,S} {5,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {2,S} -5 H u0 {2,S} +4 [H,Val7] u0 {2,S} +5 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1058,8 +1058,8 @@ 1 *2 Cd u0 {2,D} {3,S} 2 *3 Cd u0 c0 {1,D} {4,S} {5,S} 3 [Cs,O,S2s] u0 {1,S} -4 H u0 {2,S} -5 H u0 {2,S} +4 [H,Val7] u0 {2,S} +5 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1071,9 +1071,9 @@ """ 1 *2 Cd u0 {2,D} {3,S} 2 *3 Cd u0 c0 {1,D} {4,S} {5,S} -3 H u0 {1,S} -4 H u0 {2,S} -5 H u0 {2,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {2,S} +5 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1096,7 +1096,7 @@ """ 1 *2 Ct u0 {2,T} 2 *3 Ct u0 c0 {1,T} {3,S} -3 H u0 {2,S} +3 [H,Val7] u0 {2,S} """, kinetics = None, ) @@ -1143,7 +1143,7 @@ """ 1 *2 CO u0 {2,D} {3,S} 2 *3 O2d u0 p2 c0 {1,D} -3 H u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1165,7 +1165,7 @@ group = """ 1 *1 Cs u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1176,7 +1176,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cs,O,S2s] u0 {1,S} 4 [Cs,O,S2s] u0 {1,S} """, @@ -1189,7 +1189,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cs,O,S2s] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, @@ -1202,7 +1202,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} 4 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, @@ -1215,8 +1215,8 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} -2 *4 H u0 {1,S} -3 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1227,9 +1227,9 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cs,O,S2s] u0 {1,S} -4 H u0 {1,S} +4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1240,9 +1240,9 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {1,S} +4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1253,7 +1253,7 @@ group = """ 1 *1 O u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1264,7 +1264,7 @@ group = """ 1 *1 Cb u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1275,7 +1275,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 R u0 {1,S} """, kinetics = None, @@ -1287,8 +1287,8 @@ group = """ 1 *1 Cd u0 {2,S} {3,S} -2 *4 H u0 {1,S} -3 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -1299,7 +1299,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cs,O,S2s] u0 {1,S} """, kinetics = None, @@ -1311,7 +1311,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 [Cd,Ct,Cb,CO,CS] u0 {1,S} """, kinetics = None, @@ -1323,7 +1323,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 R!H u0 {1,D} """, kinetics = None, @@ -1335,7 +1335,7 @@ group = """ 1 *1 CO u0 {2,S} {3,D} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} 3 O u0 {1,D} """, kinetics = None, @@ -1347,7 +1347,7 @@ group = """ 1 *1 Ct u0 {2,S} -2 *4 H u0 {1,S} +2 *4 [H,Val7] u0 {1,S} """, kinetics = None, ) diff --git a/input/kinetics/families/Intra_ene_reaction/groups.py b/input/kinetics/families/Intra_ene_reaction/groups.py index cca80cc061..4a5056a83c 100644 --- a/input/kinetics/families/Intra_ene_reaction/groups.py +++ b/input/kinetics/families/Intra_ene_reaction/groups.py @@ -10,6 +10,10 @@ template(reactants=["1_3_unsaturated_pentane_backbone"], products=["1_3_unsaturated_pentane_backbone"], ownReverse=True) reversible = True +reactantNum = 1 +productNum = 1 +reverseMap = {'*1':'*2','*2':'*1','*3':'*5','*5':'*3'} + recipe(actions=[ ['BREAK_BOND', '*1', 1, '*6'], ['FORM_BOND', '*2', 1, '*6'], @@ -31,7 +35,7 @@ 3 *3 C u0 {2,[D,T]} {4,[S,D]} 4 *4 C u0 {3,[S,D]} {5,[D,T]} 5 *5 C u0 {1,[S,D]} {4,[D,T]} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -42,7 +46,7 @@ group = """ 1 *1 C u0 {2,S} -2 *6 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -67,7 +71,7 @@ 3 *3 Cd u0 {2,D} {4,S} 4 *4 Cd u0 {3,S} {5,D} 5 *5 Cd u0 {1,S} {4,D} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -82,7 +86,7 @@ 3 *3 Cd u0 {2,D} {4,S} 4 *4 Cd u0 {3,S} {5,D} 5 *5 Cd u0 {1,S} {4,D} {10,S} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} 7 Cd u0 {1,S} {8,D} 8 Cd u0 {7,D} {9,S} 9 Cd u0 {8,S} {10,D} @@ -101,7 +105,7 @@ 3 *3 Cd u0 {2,D} {4,S} {7,S} 4 *4 Cd u0 {3,S} {5,D} {10,S} 5 *5 Cd u0 {1,S} {4,D} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} 7 Cd u0 {3,S} {8,D} 8 Cd u0 {7,D} {9,S} 9 Cd u0 {8,S} {10,D} @@ -120,7 +124,7 @@ 3 *3 Cd u0 {2,D} {4,S} {7,S} 4 *4 Cd u0 {3,S} {5,D} {8,S} 5 *5 Cdd u0 {1,D} {4,D} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} 7 R u0 {3,S} 8 R u0 {4,S} """, @@ -137,7 +141,7 @@ 3 *3 Cd u0 {2,D} {4,S} {7,S} 4 *4 Cd u0 {3,S} {5,D} {8,S} 5 *5 Cd u0 {1,S} {4,D} {9,S} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} 7 R u0 {3,S} 8 R u0 {4,S} 9 R u0 {5,S} @@ -155,7 +159,7 @@ 3 *3 Ct u0 {2,T} {4,S} 4 *4 Cd u0 {3,S} {5,D} {7,S} 5 *5 Cd u0 {1,S} {4,D} {8,S} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} 7 R u0 {4,S} 8 R u0 {5,S} """, @@ -168,8 +172,8 @@ group = """ 1 *1 Cd u0 {2,S} {3,S} -2 *6 H u0 {1,S} -3 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -180,7 +184,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,S} -2 *6 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} 3 C u0 {1,S} """, kinetics = None, @@ -192,9 +196,9 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *6 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} +4 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -205,8 +209,8 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *6 H u0 {1,S} -3 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} 4 C u0 {1,S} """, kinetics = None, @@ -218,7 +222,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *6 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} 3 C u0 {1,S} 4 C u0 {1,S} """, @@ -231,7 +235,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} -2 *6 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} 3 C u1 {1,S} """, kinetics = None, @@ -243,7 +247,7 @@ group = """ 1 *1 Cd u0 {2,S} {3,D} -2 *6 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} 3 C u0 {1,D} """, kinetics = None, @@ -255,8 +259,8 @@ group = """ 1 *2 Cd u0 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +2 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -267,7 +271,7 @@ group = """ 1 *2 Cd u0 {2,S} {3,S} -2 H u0 {1,S} +2 [H,Val7] u0 {1,S} 3 C u0 {1,S} """, kinetics = None, @@ -313,7 +317,7 @@ group = """ 1 *2 Ct u0 {2,S} -2 H u0 {1,S} +2 [H,Val7] u0 {1,S} """, kinetics = None, ) @@ -335,7 +339,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *6 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} 3 O u1 {1,S} 4 CO u0 {1,S} """, @@ -348,7 +352,7 @@ group = """ 1 *2 Cd u0 {2,S} {3,S} -2 H u0 {1,S} +2 [H,Val7] u0 {1,S} 3 CO u0 {1,S} """, kinetics = None, @@ -360,8 +364,8 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *6 H u0 {1,S} -3 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} +3 [H,Val7] u0 {1,S} 4 CO u0 {1,S} """, kinetics = None, @@ -397,7 +401,7 @@ group = """ 1 *1 Cs u0 {2,S} {3,S} {4,S} -2 *6 H u0 {1,S} +2 *6 [H,Val7] u0 {1,S} 3 O u1 {1,S} 4 C u0 {1,S} """, @@ -447,7 +451,7 @@ 3 *3 C u0 {2,[D,T]} {4,[S,D]} 4 *4 C u0 {3,[S,D]} {5,[D,T]} 5 *5 C u0 {1,[S,D]} {4,[D,T]} {7,S} -6 *6 H u0 {1,S} +6 *6 [H,Val7] u0 {1,S} 7 R!H u1 {5,S} """, shortDesc = u"""""", diff --git a/input/kinetics/families/R_Addition_COm/groups.py b/input/kinetics/families/R_Addition_COm/groups.py index 5166b0b758..fb533f62e2 100644 --- a/input/kinetics/families/R_Addition_COm/groups.py +++ b/input/kinetics/families/R_Addition_COm/groups.py @@ -2,16 +2,22 @@ # encoding: utf-8 name = "R_Addition_COm/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ """ -template(reactants=["COm", "Y_rad"], products=["YC.=O"], ownReverse=False) +template(reactants=["Root"], products=["YC.=O"], ownReverse=False) reverse = "COM_Elimination_From_Carbonyl" reversible = True +reactantNum = 2 + +productNum = 1 + +autoGenerated = True + recipe(actions=[ ['LOSE_PAIR', '*1', '1'], ['CHANGE_BOND', '*1', -1, '*3'], @@ -23,886 +29,289 @@ entry( index = 0, - label = "COm", + label = "Root", group = """ 1 *1 C2tc u0 p1 c-1 {2,T} 2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 R u1 """, kinetics = None, ) entry( index = 1, - label = "Y_rad", + label = "Root_3R->O", group = """ -1 *2 R u1 +1 *1 C2tc u0 p1 c-1 r0 {2,T} +2 *3 O4tc u0 p1 c+1 r0 {1,T} +3 *2 O u1 """, kinetics = None, ) entry( index = 2, - label = "H_rad", + label = "Root_N-3R->O", group = """ -1 *2 H u1 +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 [C,H,Si,S,N,P,F,I,Br,Cl] u1 """, kinetics = None, ) entry( index = 3, - label = "O_rad", + label = "Root_N-3R->O_3BrCClFHINPSSi-inRing", group = """ -1 *2 O u1 +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r1 """, kinetics = None, ) entry( index = 4, - label = "O_pri_rad", + label = "Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_4R!H->O", group = """ -1 *2 O u1 {2,S} -2 H u0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r1 {4,[S,D,T,B,Q]} +4 O u0 r1 {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 5, - label = "O_sec_rad", + label = "Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_N-4R!H->O", group = """ -1 *2 O u1 {2,S} -2 R!H u0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r1 {4,[S,D,T,B,Q]} +4 C u0 r1 {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 6, - label = "O_rad/NonDe", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing", group = """ -1 *2 O u1 {2,S} -2 [Cs,O,S2s] u0 c0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 [C,H,Si,S,N,P,F,I,Br,Cl] u1 r0 """, kinetics = None, ) entry( index = 7, - label = "O_rad/OneDe", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C", group = """ -1 *2 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r0 """, kinetics = None, ) entry( index = 8, - label = "S_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R", group = """ -1 *2 S u1 +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r0 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 9, - label = "S_pri_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C", group = """ -1 *2 S u1 {2,S} -2 H u0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r0 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 10, - label = "S_sec_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-3C-R", group = """ -1 *2 S u1 {2,S} -2 R!H u0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C ux {3,S} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 11, - label = "S_rad/NonDe", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-4R!H-R", group = """ -1 *2 S u1 {2,S} -2 [Cs,O,S2s] u0 c0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 C u1 r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 12, - label = "S_rad/OneDe", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_N-Sp-4R!H-3C", group = """ -1 *2 S u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C2tc u0 p1 c-1 r0 {2,T} +2 *3 O4tc u0 p1 c+1 r0 {1,T} +3 *2 C u1 r0 {4,[B,D,T,Q]} +4 C u0 r0 {3,[B,D,T,Q]} """, kinetics = None, ) entry( index = 13, - label = "Ct_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C", group = """ -1 *2 C u1 {2,T} -2 C u0 {1,T} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 [S,Cl,H,Br] u1 r0 """, kinetics = None, ) entry( index = 14, - label = "CO_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_3BrClHS->H", group = """ -1 *2 C u1 {2,D} -2 O u0 {1,D} +1 *1 C2tc u0 p1 c-1 r0 {2,T} +2 *3 O4tc u0 p1 c+1 r0 {1,T} +3 *2 H u1 r0 """, kinetics = None, ) entry( index = 15, - label = "CO_pri_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H", group = """ -1 *2 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 H u0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 [S,Cl,Br] u1 r0 """, kinetics = None, ) entry( index = 16, - label = "CO_sec_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_3BrClS->S", group = """ -1 *2 C u1 {2,D} {3,S} -2 O u0 {1,D} -3 R!H u0 {1,S} +1 *1 C2tc u0 p1 c-1 r0 {2,T} +2 *3 O4tc u0 p1 c+1 r0 {1,T} +3 *2 S u1 r0 """, kinetics = None, ) entry( index = 17, - label = "CS_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S", group = """ -1 *2 C u1 {2,D} -2 S u0 {1,D} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 [Cl,Br] u1 r0 """, kinetics = None, ) entry( index = 18, - label = "CS_pri_rad", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_3BrCl->Cl", group = """ -1 *2 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 H u0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 Cl u1 r0 """, kinetics = None, ) entry( index = 19, - label = "CS_sec_rad", - group = -""" -1 *2 C u1 {2,D} {3,S} -2 S u0 {1,D} -3 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 20, - label = "Cd_rad", - group = -""" -1 *2 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 R u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 21, - label = "Cd_pri_rad", - group = -""" -1 *2 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 22, - label = "Cd_sec_rad", - group = -""" -1 *2 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 23, - label = "Cd_rad/NonDe", - group = -""" -1 *2 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 [Cs,O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 24, - label = "Cd_rad/OneDe", - group = -""" -1 *2 C u1 {2,D} {3,S} -2 C u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 25, - label = "Cb_rad", - group = -""" -1 *2 Cb u1 {2,B} {3,B} -2 [Cb,Cbf] u0 {1,B} -3 [Cb,Cbf] u0 {1,B} -""", - kinetics = None, -) - -entry( - index = 26, - label = "Cs_rad", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 R u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 27, - label = "C_methyl", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 28, - label = "C_pri_rad", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 29, - label = "C_rad/H2/Cs", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 30, - label = "CH2CH3", - group = -""" -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 *2 C u1 {1,S} {6,S} {7,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -""", - kinetics = None, -) - -entry( - index = 31, - label = "CH2CH2CH3", - group = -""" -1 Cs u0 {2,S} {3,S} {4,S} {5,S} -2 C u0 {1,S} {6,S} {7,S} {8,S} -3 *2 C u1 {1,S} {9,S} {10,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {3,S} -10 H u0 {3,S} -""", - kinetics = None, -) - -entry( - index = 32, - label = "C_rad/H2/Cd", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cd u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 33, - label = "C_rad/H2/Ct", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Ct u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 34, - label = "C_rad/H2/Cb", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 Cb u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 35, - label = "C_rad/H2/CO", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 CO u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 36, - label = "C_rad/H2/O", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 37, - label = "C_rad/H2/CS", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 CS u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 38, - label = "C_rad/H2/S", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 S u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 39, - label = "C_sec_rad", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 40, - label = "C_rad/H/NonDeC", + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_N-3BrCl->Cl", group = """ -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 41, - label = "CH(CH3)2", - group = -""" -1 Cs u0 {3,S} {4,S} {5,S} {6,S} -2 Cs u0 {3,S} {7,S} {8,S} {9,S} -3 *2 C u1 {1,S} {2,S} {10,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {2,S} -9 H u0 {2,S} -10 H u0 {3,S} -""", - kinetics = None, -) - -entry( - index = 42, - label = "C_rad/H/NonDeO", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 O u0 {1,S} -4 [Cs,O] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 43, - label = "C_rad/H/CsO", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 44, - label = "C_rad/H/O2", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 O u0 {1,S} -4 O u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 45, - label = "C_rad/H/NonDeS", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [S,C] u0 {1,S} -4 [Cs,O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 46, - label = "C_rad/H/CsS", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 Cs u0 {1,S} -4 S2s u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 47, - label = "C_rad/H/S2", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 S u0 {1,S} -4 [O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 48, - label = "C_rad/H/OneDe", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 49, - label = "C_rad/H/OneDeC", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 50, - label = "C_rad/H/OneDeO", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 51, - label = "C_rad/H/OneDeS", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 S2s u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 52, - label = "C_rad/H/TwoDe", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 53, - label = "C_ter_rad", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 R!H u0 {1,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 54, - label = "C_rad/NonDeC", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cs,O,S2s] u0 c0 {1,S} -3 [Cs,O,S2s] u0 c0 {1,S} -4 [Cs,O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 55, - label = "C_rad/Cs3", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 Cs u0 c0 {1,S} -3 Cs u0 c0 {1,S} -4 Cs u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 56, - label = "C_rad/NDMustO", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 O u0 c0 {1,S} -3 [Cs,O] u0 c0 {1,S} -4 [Cs,O] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 57, - label = "C_rad/NDMustS", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 S2s u0 c0 {1,S} -3 [Cs,O,S2s] u0 c0 {1,S} -4 [Cs,O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 58, - label = "C_rad/OneDe", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cs,O,S2s] u0 c0 {1,S} -4 [Cs,O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 59, - label = "C_rad/OD_Cs2", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 Cs u0 c0 {1,S} -4 Cs u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 60, - label = "C_rad/ODMustO", - group = -""" -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 O u0 c0 {1,S} -4 [Cs,O,S2s] u0 c0 {1,S} +1 *1 C2tc u0 p1 c-1 {2,T} +2 *3 O4tc u0 p1 c+1 {1,T} +3 *2 Br u1 r0 """, kinetics = None, ) -entry( - index = 61, - label = "C_rad/TwoDe", - group = +tree( """ -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O,S2s] u0 c0 {1,S} -""", - kinetics = None, -) - -entry( - index = 62, - label = "C_rad/TD_Cs", - group = +L1: Root + L2: Root_3R->O + L2: Root_N-3R->O + L3: Root_N-3R->O_3BrCClFHINPSSi-inRing + L4: Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_4R!H->O + L4: Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_N-4R!H->O + L3: Root_N-3R->O_N-3BrCClFHINPSSi-inRing + L4: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C + L5: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R + L6: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C + L7: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-3C-R + L7: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-4R!H-R + L6: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_N-Sp-4R!H-3C + L4: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C + L5: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_3BrClHS->H + L5: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H + L6: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_3BrClS->S + L6: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S + L7: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_3BrCl->Cl + L7: Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_N-3BrCl->Cl """ -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 Cs u0 c0 {1,S} -""", - kinetics = None, ) -entry( - index = 63, - label = "C_rad/TDMustO", +forbidden( + label = "Frad", group = """ -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 O u0 c0 {1,S} +1 *2 F u1 p3 """, - kinetics = None, -) - -entry( - index = 64, - label = "C_rad/ThreeDe", - group = + shortDesc = """""", + longDesc = """ -1 *2 C u1 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS] u0 {1,S} +Could not find the TS """, - kinetics = None, -) - -tree( -""" -L1: COm -L1: Y_rad - L2: H_rad - L2: O_rad - L3: O_pri_rad - L3: O_sec_rad - L4: O_rad/NonDe - L4: O_rad/OneDe - L2: S_rad - L3: S_pri_rad - L3: S_sec_rad - L4: S_rad/NonDe - L4: S_rad/OneDe - L2: Ct_rad - L2: CO_rad - L3: CO_pri_rad - L3: CO_sec_rad - L2: CS_rad - L3: CS_pri_rad - L3: CS_sec_rad - L2: Cd_rad - L3: Cd_pri_rad - L3: Cd_sec_rad - L4: Cd_rad/NonDe - L4: Cd_rad/OneDe - L2: Cb_rad - L2: Cs_rad - L3: C_methyl - L3: C_pri_rad - L4: C_rad/H2/Cs - L5: CH2CH3 - L5: CH2CH2CH3 - L4: C_rad/H2/Cd - L4: C_rad/H2/Ct - L4: C_rad/H2/Cb - L4: C_rad/H2/CO - L4: C_rad/H2/O - L4: C_rad/H2/CS - L4: C_rad/H2/S - L3: C_sec_rad - L4: C_rad/H/NonDeC - L5: CH(CH3)2 - L4: C_rad/H/NonDeO - L5: C_rad/H/CsO - L5: C_rad/H/O2 - L4: C_rad/H/NonDeS - L5: C_rad/H/CsS - L5: C_rad/H/S2 - L5: C_rad/H/OneDe - L6: C_rad/H/OneDeC - L6: C_rad/H/OneDeO - L6: C_rad/H/OneDeS - L4: C_rad/H/TwoDe - L3: C_ter_rad - L4: C_rad/NonDeC - L5: C_rad/Cs3 - L5: C_rad/NDMustO - L5: C_rad/NDMustS - L4: C_rad/OneDe - L5: C_rad/OD_Cs2 - L5: C_rad/ODMustO - L4: C_rad/TwoDe - L5: C_rad/TD_Cs - L5: C_rad/TDMustO - L4: C_rad/ThreeDe -""" ) forbidden( @@ -912,9 +321,9 @@ 1 *2 O u1 p2 {2,S} 2 O u1 p2 {1,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) diff --git a/input/kinetics/families/R_Addition_COm/rules.py b/input/kinetics/families/R_Addition_COm/rules.py index 5ed70b4c6a..52cdecd4a4 100644 --- a/input/kinetics/families/R_Addition_COm/rules.py +++ b/input/kinetics/families/R_Addition_COm/rules.py @@ -2,11 +2,311 @@ # encoding: utf-8 name = "R_Addition_COm/rules" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ .. [MRHCBSQB31DHR] M.R. Harper (mrharper_at_mit_dot_edu or michael_dot_harper_dot_jr_at_gmail_dot_com) The geometries of all reactants, products, and the transition state were optimized using the CBS-QB3 method. The zero-point energy is that computed by the CBS-QB3 calculations. The frequencies were computed with B3LYP/CBSB7. In computing k(T), an asymmetric tunneling correction was employed, the calculated frequencies were scaled by 0.99, and the temperatures used were from 600 K to 2000 K (in 200 K increments). """ +entry( + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(5.399e-07,'m^3/(mol*s)'), n=3.6848, w0=(309.147,'kJ/mol'), E0=(0.789777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21800607627160032, var=1.0779149116324411, Tref=1000.0, N=17, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 17 training reactions at node Root + Total Standard Deviation in ln(k): 2.629123667318262"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root +Total Standard Deviation in ln(k): 2.629123667318262""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root +Total Standard Deviation in ln(k): 2.629123667318262 +""", +) + +entry( + index = 2, + label = "Root_3R->O", + kinetics = ArrheniusBM(A=(34.1,'m^3/(mol*s)'), n=8.73864e-09, w0=(315.5,'kJ/mol'), E0=(38.2966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3, + label = "Root_N-3R->O", + kinetics = ArrheniusBM(A=(5.26781e-07,'m^3/(mol*s)'), n=3.69359, w0=(308.75,'kJ/mol'), E0=(1.37158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2726407497382492, var=0.8332092296870747, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R->O',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R->O + Total Standard Deviation in ln(k): 2.514955106572823"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R->O +Total Standard Deviation in ln(k): 2.514955106572823""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R->O +Total Standard Deviation in ln(k): 2.514955106572823 +""", +) + +entry( + index = 4, + label = "Root_N-3R->O_3BrCClFHINPSSi-inRing", + kinetics = ArrheniusBM(A=(1543.38,'m^3/(mol*s)'), n=0.822145, w0=(309.5,'kJ/mol'), E0=(44.2693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.619936358896929, var=0.6050239551292623, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->O_3BrCClFHINPSSi-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing + Total Standard Deviation in ln(k): 3.116977857423543"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing +Total Standard Deviation in ln(k): 3.116977857423543""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing +Total Standard Deviation in ln(k): 3.116977857423543 +""", +) + +entry( + index = 5, + label = "Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_4R!H->O", + kinetics = ArrheniusBM(A=(0.00721,'m^3/(mol*s)'), n=2.333, w0=(309.5,'kJ/mol'), E0=(24.0321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6, + label = "Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_N-4R!H->O", + kinetics = ArrheniusBM(A=(1.48e+06,'m^3/(mol*s)'), n=-5.71646e-08, w0=(309.5,'kJ/mol'), E0=(56.2476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_N-4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_N-4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_N-4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_3BrCClFHINPSSi-inRing_Ext-3BrCClFHINPSSi-R_N-4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing", + kinetics = ArrheniusBM(A=(4.39285e-08,'m^3/(mol*s)'), n=4.0393, w0=(308.643,'kJ/mol'), E0=(1.19897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3050609923875642, var=0.7568498784418518, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing + Total Standard Deviation in ln(k): 2.510546674490639"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing +Total Standard Deviation in ln(k): 2.510546674490639""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing +Total Standard Deviation in ln(k): 2.510546674490639 +""", +) + +entry( + index = 8, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C", + kinetics = ArrheniusBM(A=(0.329931,'m^3/(mol*s)'), n=2.07304, w0=(309.5,'kJ/mol'), E0=(35.2326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17748312369238067, var=0.6615994821919932, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C + Total Standard Deviation in ln(k): 2.07656426623308"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C +Total Standard Deviation in ln(k): 2.07656426623308""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C +Total Standard Deviation in ln(k): 2.07656426623308 +""", +) + +entry( + index = 9, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.38524,'m^3/(mol*s)'), n=2.06248, w0=(309.5,'kJ/mol'), E0=(34.0162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38782405154121735, var=0.6270161579590485, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R + Total Standard Deviation in ln(k): 2.5618687678621175"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.5618687678621175""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.5618687678621175 +""", +) + +entry( + index = 10, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(23.0301,'m^3/(mol*s)'), n=1.55685, w0=(309.5,'kJ/mol'), E0=(38.7455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2575027022079667, var=0.3660078182804922, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C + Total Standard Deviation in ln(k): 1.8598279688063668"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C +Total Standard Deviation in ln(k): 1.8598279688063668""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C +Total Standard Deviation in ln(k): 1.8598279688063668 +""", +) + +entry( + index = 11, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-3C-R", + kinetics = ArrheniusBM(A=(86.1,'m^3/(mol*s)'), n=1.36, w0=(309.5,'kJ/mol'), E0=(36.9208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 12, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(65100,'m^3/(mol*s)'), n=0.45, w0=(309.5,'kJ/mol'), E0=(47.04,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_Sp-4R!H-3C_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 13, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_N-Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(151000,'m^3/(mol*s)'), n=-5.25699e-09, w0=(309.5,'kJ/mol'), E0=(54.9314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_N-Sp-4R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_N-Sp-4R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_3BrCClFHINPSSi->C_Ext-3C-R_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 14, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C", + kinetics = ArrheniusBM(A=(55.8514,'m^3/(mol*s)'), n=1.28151, w0=(307.1,'kJ/mol'), E0=(1.0936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06328152068894752, var=19.051458367848703, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C + Total Standard Deviation in ln(k): 8.909261714191546"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C +Total Standard Deviation in ln(k): 8.909261714191546""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C +Total Standard Deviation in ln(k): 8.909261714191546 +""", +) + +entry( + index = 15, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_3BrClHS->H", + kinetics = ArrheniusBM(A=(108632,'m^3/(mol*s)'), n=-4.60906e-06, w0=(342,'kJ/mol'), E0=(41.8896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.240078279053628, var=3.3259218898925673, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_3BrClHS->H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_3BrClHS->H + Total Standard Deviation in ln(k): 4.259269212221103"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_3BrClHS->H +Total Standard Deviation in ln(k): 4.259269212221103""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_3BrClHS->H +Total Standard Deviation in ln(k): 4.259269212221103 +""", +) + +entry( + index = 16, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H", + kinetics = ArrheniusBM(A=(8419.86,'m^3/(mol*s)'), n=0.883532, w0=(283.833,'kJ/mol'), E0=(0.553942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28895894903747316, var=15.648181251818048, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H + Total Standard Deviation in ln(k): 8.656314847416924"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H +Total Standard Deviation in ln(k): 8.656314847416924""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H +Total Standard Deviation in ln(k): 8.656314847416924 +""", +) + +entry( + index = 17, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_3BrClS->S", + kinetics = ArrheniusBM(A=(0.0785,'m^3/(mol*s)'), n=2.33, w0=(272.5,'kJ/mol'), E0=(18.6817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_3BrClS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_3BrClS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_3BrClS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_3BrClS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 18, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S", + kinetics = ArrheniusBM(A=(2.15963e+08,'m^3/(mol*s)'), n=-0.382318, w0=(289.5,'kJ/mol'), E0=(1.07698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21203992351622103, var=5.181761909275315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S + Total Standard Deviation in ln(k): 5.09623905601216"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S +Total Standard Deviation in ln(k): 5.09623905601216""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S +Total Standard Deviation in ln(k): 5.09623905601216 +""", +) + +entry( + index = 19, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_3BrCl->Cl", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=5.22723e-11, w0=(300,'kJ/mol'), E0=(8.34816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_3BrCl->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_3BrCl->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_3BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_3BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 20, + label = "Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_N-3BrCl->Cl", + kinetics = ArrheniusBM(A=(4.66398e+09,'m^3/(mol*s)'), n=-0.764636, w0=(279,'kJ/mol'), E0=(-7.96975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_N-3BrCl->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_N-3BrCl->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_N-3BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R->O_N-3BrCClFHINPSSi-inRing_N-3BrCClFHINPSSi->C_N-3BrClHS->H_N-3BrClS->S_N-3BrCl->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + diff --git a/input/kinetics/families/R_Addition_COm/training/dictionary.txt b/input/kinetics/families/R_Addition_COm/training/dictionary.txt index 7b01736532..fe6aebd0a4 100644 --- a/input/kinetics/families/R_Addition_COm/training/dictionary.txt +++ b/input/kinetics/families/R_Addition_COm/training/dictionary.txt @@ -220,3 +220,22 @@ multiplicity 2 12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {7,S} +CClO +multiplicity 2 +1 *2 Cl u0 p3 c0 {3,S} +2 *3 O u0 p2 c0 {3,D} +3 *1 C u1 p0 c0 {1,S} {2,D} + +Cl +multiplicity 2 +1 *2 Cl u1 p3 c0 + +CBrO +multiplicity 2 +1 *2 Br u0 p3 c0 {3,S} +2 *3 O u0 p2 c0 {3,D} +3 *1 C u1 p0 c0 {1,S} {2,D} + +Br +multiplicity 2 +1 *2 Br u1 p3 c0 diff --git a/input/kinetics/families/R_Addition_COm/training/reactions.py b/input/kinetics/families/R_Addition_COm/training/reactions.py index 12fc7a4ecd..fd35c729f6 100644 --- a/input/kinetics/families/R_Addition_COm/training/reactions.py +++ b/input/kinetics/families/R_Addition_COm/training/reactions.py @@ -531,3 +531,45 @@ """, ) +entry( + index = 15, + label = "CO + Cl <=> CClO", + degeneracy = 1.0, + kinetics = Arrhenius( + A = (1e+13, 'cm^3/(mol*s)'), + n = 0, + Ea = (0,'kJ/mol'), + T0 = (1, 'K'), + Tmin = (298, 'K'), + Tmax = (2500, 'K'), + ), + rank = 10, + shortDesc = """""", + longDesc = +""" +Barrier is submerged with M062X/JUN-CC-PVTZ +Assuming the reaction is barrierless +""", +) + +entry( + index = 16, + label = "CO + Br <=> CBrO", + degeneracy = 1.0, + kinetics = Arrhenius( + A = (1e13, 'cm^3/(mol*s)'), + n = 0, + Ea = (0,'kJ/mol'), + T0 = (1, 'K'), + Tmin = (298, 'K'), + Tmax = (2500, 'K'), + ), + rank = 10, + shortDesc = """""", + longDesc = +""" +Could not locate TS with M062X/JUN-CC-PVTZ +Assuming the reaction is barrierless +""", +) + diff --git a/input/kinetics/families/R_Addition_MultipleBond/groups.py b/input/kinetics/families/R_Addition_MultipleBond/groups.py index 8166655c36..d33996f971 100644 --- a/input/kinetics/families/R_Addition_MultipleBond/groups.py +++ b/input/kinetics/families/R_Addition_MultipleBond/groups.py @@ -2,16 +2,22 @@ # encoding: utf-8 name = "R_Addition_MultipleBond/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ The reaction site *3 should be a triplet, otherwise it will react via the 1+2_Cycloaddition family instead. """ -template(reactants=["R_R", "YJ"], products=["RJ_R_Y"], ownReverse=False) +template(reactants=["Root"], products=["RJ_R_Y"], ownReverse=False) reverse = "Beta_Scission" reversible = True +reactantNum = 2 + +productNum = 1 + +autoGenerated = True + recipe(actions=[ ['CHANGE_BOND', '*1', -1, '*2'], ['FORM_BOND', '*1', 1, '*3'], @@ -21,18828 +27,83540 @@ entry( index = 0, - label = "R_R", + label = "Root", group = """ -1 *1 R!H u0 {2,[D,T,B]} -2 *2 R!H u0 {1,[D,T,B]} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] """, kinetics = None, ) entry( index = 1, - label = "YJ", - group = "OR{HJ, Y_1centerquadrad, Y_1centertrirad, Y_1centerbirad, CJ, OJ, SJ, NJ}", + label = "Root_3R->H", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +""", kinetics = None, ) entry( index = 2, - label = "Cb_Cb", + label = "Root_3R->H_2R!H->N", group = """ -1 *1 [Cb,Cbf] u0 {2,B} -2 *2 [Cb,Cbf] u0 {1,B} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 3, - label = "Cb-R!H_Cb", + label = "Root_3R->H_2R!H->N_1R!H->C", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,[S,B]} {4,B} -2 *2 [Cb,Cbf] u0 {1,B} -3 R!H u0 {1,[S,B]} -4 [Cb,Cbf] u0 {1,B} +1 *1 C u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 4, - label = "Cb-R!H_Cb-R!H", + label = "Root_3R->H_2R!H->N_1R!H->C_Sp-2N=1C", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {5,[S,B]} -2 *2 [Cb,Cbf] u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 R!H u0 {1,[S,B]} -6 R!H u0 {2,[S,B]} +1 *1 C u0 {2,D} +2 *2 N u0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 5, - label = "Cb-indeneDe_Cb-indeneNde", + label = "Root_3R->H_2R!H->N_1R!H->C_N-Sp-2N=1C", group = """ -1 *1 Cb u0 {2,B} {3,S} {6,B} -2 *2 Cb u0 {1,B} {4,S} {7,B} -3 Cd u0 {1,S} {5,D} -4 C u0 {2,S} {5,S} -5 Cd u0 {3,D} {4,S} -6 [Cb,Cbf] u0 {1,B} -7 [Cb,Cbf] u0 {2,B} +1 *1 C u0 {2,T} +2 *2 N u0 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 6, - label = "Cb-indeneNde_Cb-indene_De", + label = "Root_3R->H_2R!H->N_N-1R!H->C", group = """ -1 *2 Cb u0 {2,B} {3,S} {6,B} -2 *1 Cb u0 {1,B} {4,S} {7,B} -3 Cd u0 {1,S} {5,D} -4 C u0 {2,S} {5,S} -5 Cd u0 {3,D} {4,S} -6 [Cb,Cbf] u0 {1,B} -7 [Cb,Cbf] u0 {2,B} +1 *1 [N,O,S] u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 7, - label = "Cb-benzofuranNde_Cb-benzofuranDe", + label = "Root_3R->H_2R!H->N_N-1R!H->C_Sp-2N=1NOS", group = """ -1 *1 Cb u0 {2,B} {3,S} {6,B} -2 *2 Cb u0 {1,B} {4,S} {7,B} -3 O u0 {1,S} {5,S} -4 C u0 {2,S} {5,D} -5 C u0 {3,S} {4,D} -6 [Cb,Cbf] u0 {1,B} -7 [Cb,Cbf] u0 {2,B} +1 *1 [N,O,S] u0 {2,D} +2 *2 N u0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 8, - label = "Cb-R!H_Cb-H", + label = "Root_3R->H_2R!H->N_N-1R!H->C_N-Sp-2N=1NOS", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,[S,B]} {5,B} -2 *2 [Cb,Cbf] u0 {1,B} {4,S} -3 R!H u0 {1,[S,B]} -4 H u0 {2,S} -5 [Cb,Cbf] u0 {1,B} +1 *1 [N,O,S] u0 {2,T} +2 *2 N u0 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 9, - label = "Cb-C-cyclic_Cb-H", + label = "Root_3R->H_N-2R!H->N", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {4,[S,B]} -2 *2 Cb u0 {1,B} {8,S} -3 [Cb,Cbf] u0 {1,B} {7,[S,B]} -4 C u0 {1,[S,B]} {5,[S,D,T,B]} -5 C u0 {4,[S,D,T,B]} {6,[S,D,T,B]} -6 C u0 {5,[S,D,T,B]} {7,[S,D,T,B]} -7 C u0 {3,[S,B]} {6,[S,D,T,B]} -8 H u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [C,O,S] u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 10, - label = "Cbf-Cb-cyclic_Cb-H", + label = "Root_3R->H_N-2R!H->N_1R!H->N", group = """ -1 *1 Cbf u0 {2,B} {3,B} {4,B} -2 *2 Cb u0 {1,B} {8,S} -3 Cbf u0 {1,B} {7,B} -4 [Cb,Cbf] u0 {1,B} {5,B} -5 [Cb,Cbf] u0 {4,B} {6,B} -6 [Cb,Cbf] u0 {5,B} {7,B} -7 [Cb,Cbf] u0 {3,B} {6,B} -8 H u0 {2,S} +1 *1 N u0 {2,[D,T,B]} +2 *2 [C,O,S] u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 11, - label = "Cb-Cd_Cb-H", + label = "Root_3R->H_N-2R!H->N_1R!H->N_Sp-2CCOOSS=1N", group = """ -1 *1 Cb u0 {2,B} {3,S} {5,B} -2 *2 Cb u0 {1,B} {4,S} -3 Cd u0 {1,S} -4 H u0 {2,S} -5 Cb u0 {1,B} +1 *1 N u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 H u1 r0 """, kinetics = None, ) entry( index = 12, - label = "Cb-Cs_Cb-H", + label = "Root_3R->H_N-2R!H->N_1R!H->N_N-Sp-2CCOOSS=1N", group = """ -1 *1 Cb u0 {2,B} {3,S} {5,B} -2 *2 Cb u0 {1,B} {4,S} -3 Cs u0 {1,S} -4 H u0 {2,S} -5 Cb u0 {1,B} +1 *1 N u0 {2,[B,T]} +2 *2 [C,O,S] u0 {1,[B,T]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 13, - label = "Cb-H_Cb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 [Cb,Cbf] u0 {1,B} -3 H u0 {1,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} +2 *2 [C,O,S] u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 14, - label = "Cb-H_Cb-R!H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 [Cb,Cbf] u0 {1,B} {4,[S,B]} {5,B} -3 H u0 {1,S} -4 R!H u0 {2,[S,B]} -5 [Cb,Cbf] u0 {2,B} +1 *1 [C,O,S] u0 {2,[D,T,B]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 15, - label = "Cb-H_Cb-indeneNde", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R", group = """ -1 Cb u0 {2,B} {4,S} -2 *2 Cb u0 {1,B} {3,B} {5,S} -3 *1 Cb u0 {2,B} {7,S} -4 Cd u0 {1,S} {6,D} -5 C u0 {2,S} {6,S} -6 Cd u0 {4,D} {5,S} -7 H u0 {3,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 16, - label = "Cb-H_Cbf-Cb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cbf u0 {1,B} {4,B} {5,B} -3 H u0 {1,S} -4 [Cb,Cbf] u0 {2,B} -5 [Cb,Cbf] u0 {2,B} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 17, - label = "Cb-H-Ortho_Cb-C", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} {5,B} -3 H u0 {1,S} -4 C u0 {2,S} -5 [Cb,Cbf] u0 {2,B} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} """, kinetics = None, ) entry( index = 18, - label = "Cb-H_Cb-H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} -3 H u0 {1,S} -4 H u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 19, - label = "Cb-H-Meta_Cb-H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0", group = """ -1 *1 Cb u0 {2,B} {6,S} -2 *2 Cb u0 {1,B} {3,B} {5,S} -3 [Cb,Cbf] u0 {2,B} {4,S} -4 R!H u0 {3,S} -5 H u0 {2,S} -6 H u0 {1,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 20, - label = "Cb-H-Para_Cb-H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C", group = """ -1 *1 Cb u0 {2,B} {7,S} -2 *2 Cb u0 {1,B} {4,B} {6,S} -3 [Cb,Cbf] u0 {4,B} {5,S} -4 [Cb,Cbf] u0 {2,B} {3,B} -5 R!H u0 {3,S} -6 H u0 {2,S} -7 H u0 {1,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 21, - label = "Cb-H_Cb-H_o_ketene", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS", group = """ -1 *1 Cb u0 {2,B} {3,B} {4,S} -2 *2 Cb u0 {1,B} {5,S} -3 Cb u0 {1,B} {6,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cd u0 {3,S} {7,D} -7 Cdd u0 {6,D} {8,D} -8 O u0 {7,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} """, kinetics = None, ) entry( index = 22, - label = "Cd_R", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R", group = """ -1 *1 C u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 23, - label = "Cdd_Od", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_Sp-5R!H=4C", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 R!H u0 {1,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 24, - label = "CO2", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_N-Sp-5R!H=4C", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 O2d u0 {1,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 {1,S} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 25, - label = "Ck_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_N-Sp-4C-1COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 C u0 {1,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,D} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 {1,D} """, kinetics = None, ) entry( index = 26, - label = "C=S_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 S u0 {1,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [S,Cl] u0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 27, - label = "Cdd_Od-N3d", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_4ClS->S", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 O2d u0 {1,D} -3 N3d u0 {1,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 S u0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 28, - label = "CO_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_N-4ClS->S", group = """ -1 *1 CO u0 {2,D} -2 *2 O2d u0 {1,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 Cl u0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 29, - label = "CO-HH_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_N-4R!H-u0", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 30, - label = "CO-NdH_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 31, - label = "CO-CsH_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 r1 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 32, - label = "CO-DeH_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 [C,O,S] u0 {2,B} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 33, - label = "CO-CdH_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 Cd u0 {1,S} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 34, - label = "CO-CtH_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} -4 Ct u0 {1,S} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,S} +6 R!H ux {5,S} """, kinetics = None, ) entry( index = 35, - label = "CO-NdNd_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 [C,O,S] u0 {2,B} {4,B} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,B} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,S} +6 R!H ux {5,S} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 36, - label = "CO-CsCs_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-6R!H-u0", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,B} {4,B} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,B} {7,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,S} +6 R!H u1 {5,S} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 37, - label = "CO-DeNd_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,B} {4,B} {5,S} +2 *2 C u0 r1 {1,B} {9,S} +3 *3 H u1 +4 C u0 {1,B} {7,B} +5 C u0 {1,S} {6,S} +6 C u0 {5,S} {9,[S,D,T,B,Q]} +7 C u0 {4,B} {8,B} +8 C u0 {7,B} +9 C ux {2,S} {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 38, - label = "CO-CdCs_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H_Ext-5R!H-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Cd u0 {1,S} +1 *1 C u0 r1 {2,B} {4,B} {5,S} +2 *2 C u0 r1 {1,B} {9,S} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {7,B} +5 C u0 r1 {1,S} {6,S} {10,[S,D,T,B,Q]} +6 C u0 r1 {5,S} {9,[S,D,T,B,Q]} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} +9 C ux r1 {2,S} {6,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 39, - label = "CO-CtCs_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Ct u0 {1,S} +1 *1 C u0 {2,B} {4,B} {5,S} +2 *2 C u0 r1 {1,B} {10,[S,D,T,B,Q]} +3 *3 H u1 +4 C u0 {1,B} {7,[S,D,T,B,Q]} +5 C u0 {1,S} {6,S} +6 C u0 {5,S} +7 C u0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 40, - label = "CO-DeDe_O", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_5R!H-inRing", group = """ -1 *1 CO u0 {2,D} {3,S} {4,S} -2 *2 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 r1 {2,B} {4,B} {5,S} +2 *2 C u0 r1 {1,B} {10,[S,D,T,B,Q]} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {7,[S,D,T,B,Q]} +5 C u0 r1 {1,S} {6,S} +6 C u0 {5,S} +7 C u0 r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 41, - label = "Cdd_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_N-5R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 S2d u0 p2 {1,D} -3 R!H u0 {1,D} +1 *1 C u0 r1 {2,B} {4,B} {5,S} +2 *2 C u0 r1 {1,B} {10,[S,D,T,B,Q]} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {7,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {6,S} +6 C u0 {5,S} +7 C u0 r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 42, - label = "Cdd-Sd_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Int-6R!H-4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 S2d u0 p2 {1,D} -3 S2d u0 p2 {1,D} +1 *1 C u0 r1 {2,B} {4,B} {5,S} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {6,[S,D,T,B,Q]} {7,B} +5 C u0 {1,S} {6,S} +6 C u0 {4,[S,D,T,B,Q]} {5,S} +7 C u0 r1 {4,B} {8,B} +8 C u0 r1 {7,B} """, kinetics = None, ) entry( index = 43, - label = "Cds_Cdd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Sp-7R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} -3 R ux {1,S} -4 R ux {1,S} +1 *1 C u0 r1 {2,B} {4,B} {5,S} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {7,S} +5 C u0 r1 {1,S} {6,S} +6 C u0 r1 {5,S} +7 C u0 r1 {4,S} {8,S} +8 C u0 r1 {7,S} """, kinetics = None, ) entry( index = 44, - label = "Cds_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 R ux {1,S} -4 R ux {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,B} {4,B} {5,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux {1,B} {7,[B,D,T,Q]} +5 C ux {1,[S,D,T,B,Q]} {6,S} +6 C ux {5,S} +7 C ux {4,[B,D,T,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 45, - label = "Cds-HH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r1 {2,B} {4,B} {5,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,B} {7,[B,D,T,Q]} +5 C ux {1,[S,D,T,B,Q]} {6,S} {9,[S,D,T,B,Q]} +6 C ux {5,S} +7 C ux r1 {4,[B,D,T,Q]} {8,B} +8 C ux r1 {7,B} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 46, - label = "Cds-CsH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r1 {2,B} {4,B} {5,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,B} {7,[B,D,T,Q]} {9,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {6,S} +6 C ux {5,S} +7 C ux r1 {4,[B,D,T,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 47, - label = "Cds-CsCs_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 48, - label = "Cds-OneDeH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 49, - label = "Cds-CtH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Ct u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 50, - label = "Cds-CbH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} {5,B} +2 *2 C u0 r1 {1,B} {7,B} {8,B} +3 *3 H u1 +4 C u0 r1 {1,[S,D,T,B,Q]} +5 C u0 {1,B} {6,B} +6 C u0 {5,B} +7 C u0 {2,B} +8 C u0 {2,B} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 51, - label = "Cds-COH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r1 {2,B} {4,S} {5,B} +2 *2 C u0 r1 {1,B} {7,B} {8,B} +3 *3 H u1 r0 +4 C u0 r1 {1,S} +5 C u0 r1 {1,B} {6,B} +6 C u0 r1 {5,B} +7 C u0 r1 {2,B} +8 C u0 r1 {2,B} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 52, - label = "Cds-CdH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 H u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 C u0 r1 {2,B} {4,B} {5,B} +2 *2 C u0 r1 {1,B} {7,B} {8,B} +3 *3 H u1 r0 +4 C u0 r1 {1,B} +5 C u0 r1 {1,B} {6,B} +6 C u0 r1 {5,B} +7 C u0 r1 {2,B} +8 C u0 r1 {2,B} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 53, - label = "Cds-C=SH_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r1 {2,B} {4,S} {5,B} +2 *2 C u0 r1 {1,B} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u1 r0 +4 C u0 r1 {1,S} +5 C u0 r1 {1,B} {6,B} +6 C u0 r1 {5,B} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 54, - label = "Cds-OneDeCs_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_N-Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r1 {2,B} {4,B} {5,B} +2 *2 C u0 r1 {1,B} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u1 r0 +4 C u0 r1 {1,B} +5 C u0 r1 {1,B} {6,B} +6 C u0 r1 {5,B} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 55, - label = "Cds-CtCs_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Ct u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 56, - label = "Cds-CbCs_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 57, - label = "Cds-COCs_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-4R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r1 {2,B} {4,S} {5,B} +2 *2 C u0 r1 {1,B} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r1 {1,B} {6,B} +6 C u0 r1 {5,B} """, kinetics = None, ) entry( index = 58, - label = "Cds-CdCs_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cs u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 59, - label = "Cds-C=SCs_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 60, - label = "Cds-TwoDe_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 61, - label = "Cds-CtCt_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 62, - label = "Cds-CtCb_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 63, - label = "Cds-CtCO_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 64, - label = "Cds-CbCb_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cb u0 {1,S} -4 Cb u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 65, - label = "Cds-CbCO_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cb u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 66, - label = "Cds-COCO_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 CO u0 {1,S} -4 CO u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 67, - label = "Cds-CdCt_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Ct u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 68, - label = "Cds-CdCb_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cb u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 C u0 r1 {2,B} {4,B} +2 *2 C u0 r1 {1,B} {6,S} {8,B} +3 *3 H u1 r0 +4 C u0 r1 {1,B} {5,B} +5 C u0 r1 {4,B} {7,B} +6 C u0 r0 {2,S} +7 C u0 r1 {5,B} {8,B} +8 C u0 r1 {2,B} {7,B} """, kinetics = None, ) entry( index = 69, - label = "Cds-CdCO_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 CO u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {11,[S,D,T,B,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 70, - label = "Cds-CtC=S_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Ct u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 71, - label = "Cds-CbC=S_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cb u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {9,[S,D,T,B,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 72, - label = "Cds-COC=S_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 CO u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux r0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 73, - label = "Cds-CdCd_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cd u0 {1,S} {7,D} -5 C u0 {2,D} -6 C u0 {3,D} -7 C u0 {4,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 74, - label = "Cds-CdC=S_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cd u0 {1,S} {6,D} -4 CS u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 [C,O,S] u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,B} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 75, - label = "Cds-C=SC=S_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 CS u0 {1,S} -4 CS u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 {2,[D,T]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 76, - label = "Cds_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 R ux {1,S} -4 R ux {1,S} -5 O2d u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 77, - label = "Cds-HH_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2d u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 78, - label = "Cds-CsH_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 Cs u0 {1,S} -5 O2d u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 79, - label = "Cds-CsCs_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2d u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 80, - label = "Cds-OneDeH_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 O2d u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 81, - label = "Cds-OneDeCs_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 O2d u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +11 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 82, - label = "Cds-TwoDe_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 O2d u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} {9,D} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,D} """, kinetics = None, ) entry( index = 83, - label = "Cdd_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2CS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} {10,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} {9,D} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,D} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 84, - label = "Ca_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 R u0 {1,S} -4 R u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 85, - label = "Ca_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-4R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 86, - label = "Ca-Cdd_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cdd u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,D} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 87, - label = "Ca_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 88, - label = "Ca_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 89, - label = "Ca_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 90, - label = "Ca_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 91, - label = "Ca_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 92, - label = "Ca_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Int-6R!H-2CS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[B,D,T,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 93, - label = "Ca_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 H u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 94, - label = "Ca_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CS u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} {11,[S,D,T,B,Q]} +6 R!H ux {5,[B,D,T,Q]} {9,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 95, - label = "Ca_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux r1 {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 96, - label = "Ca_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux r1 {4,S} {6,[B,D,T,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 97, - label = "Ca_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_N-5R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux r0 {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 98, - label = "Ca_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 99, - label = "Ca_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cs u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 100, - label = "Ca_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CS u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 101, - label = "Ca_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_N-7R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cdd u0 {1,D} {5,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 C u0 {2,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {7,[S,D,T,B,Q]} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux r0 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 102, - label = "Ca_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 Ct u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,S} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} {5,S} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 103, - label = "Ca_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 Cb u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,S} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} {5,S} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 104, - label = "Ca_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_Sp-6R!H-=5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 CO u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,S} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} {5,S} +5 R!H ux {4,S} {6,B} +6 R!H ux {5,B} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 105, - label = "Ca_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_N-Sp-6R!H-=5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 Cb u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,S} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} {5,S} +5 R!H ux {4,S} {6,D} +6 R!H ux {5,D} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 106, - label = "Ca_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-7R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 CO u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,S} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} {5,S} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 107, - label = "Ca_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 CO u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,S} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,S} {5,S} +5 R!H ux {4,S} {6,[B,D,T,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[B,D,T,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 108, - label = "Ca_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-Sp-4R!H-1COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Ct u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,D} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,D} {5,S} +5 R!H ux {4,S} {6,[B,D,T,Q]} +6 R!H ux {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 109, - label = "Ca_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cb u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 110, - label = "Ca_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CO u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 111, - label = "Ca_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Ct u0 {2,S} -5 CS u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} {7,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 112, - label = "Ca_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cb u0 {2,S} -5 CS u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 113, - label = "Ca_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CO u0 {2,S} -5 CS u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 114, - label = "Ca_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {2,S} {7,D} -6 C u0 {4,D} -7 C u0 {5,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 115, - label = "Ca_Cds-CdCdCdCdCd_cycle", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {2,S} {7,D} {9,S} -6 Cd u0 {4,D} {8,S} -7 C u0 {5,D} -8 Cd u0 {6,S} {9,D} -9 Cd u0 {5,S} {8,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 116, - label = "Ca_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CS u0 {2,S} -6 C u0 {4,D} +1 *1 C u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {7,[S,D,T,B,Q]} +5 C ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 117, - label = "Ca_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 C u0 {1,D} -4 CS u0 {2,S} -5 CS u0 {2,S} +1 *1 C u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {7,[S,D,T,B,Q]} +5 C ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 118, - label = "Ck_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_Sp-8R!H-6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 R u0 {2,S} -5 R u0 {2,S} +1 *1 C u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} {7,[S,D,T,B,Q]} +5 C ux r1 {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {8,S} +7 C ux r1 {4,[S,D,T,B,Q]} +8 C u0 {6,S} """, kinetics = None, ) entry( index = 119, - label = "Ck_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 H u0 {2,S} -5 H u0 {2,S} +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 r1 {1,D} {6,S} +3 *3 H u1 +4 C u0 {1,S} {5,B} {7,B} +5 C u0 {4,B} {6,[S,D,T,B,Q]} +6 C u0 {2,S} {5,[S,D,T,B,Q]} {8,[B,D,T,Q]} +7 C u0 {4,B} +8 C ux {6,[B,D,T,Q]} """, kinetics = None, ) entry( index = 120, - label = "Ck_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_Sp-6R!H-5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cs u0 {2,S} -5 H u0 {2,S} +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 r1 {1,D} {6,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} {7,B} +5 C u0 r1 {4,B} {6,S} +6 C u0 r1 {2,S} {5,S} {8,[B,D,T,Q]} +7 C u0 r1 {4,B} +8 C ux {6,[B,D,T,Q]} """, kinetics = None, ) entry( index = 121, - label = "Ck_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_N-Sp-6R!H-5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cs u0 {2,S} -5 Cs u0 {2,S} +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 r1 {1,D} {6,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} {7,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {2,S} {5,B} {8,[B,D,T,Q]} +7 C u0 r1 {4,B} +8 C ux {6,[B,D,T,Q]} """, kinetics = None, ) entry( index = 122, - label = "Ck_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 123, - label = "Ck_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_7R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r1 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 124, - label = "Ck_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 125, - label = "Ck_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing_Ext-7R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux r0 {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 126, - label = "Ck_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 H u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 127, - label = "Ck_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CS u0 {2,S} -5 H u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,D} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 128, - label = "Ck_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,T} +2 *2 [C,S] u0 r1 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 129, - label = "Ck_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,T} +2 *2 [C,S] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 130, - label = "Ck_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Int-6R!H-1COS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,T} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 131, - label = "Ck_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,T} +2 *2 [C,S] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 132, - label = "Ck_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cs u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 r1 {2,T} +2 *2 [C,S] u0 r1 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[B,D,T,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 133, - label = "Ck_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CS u0 {2,S} -5 Cs u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 134, - label = "Ck_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 135, - label = "Ck_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R_Ext-2CS-R_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 Ct u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r1 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 136, - label = "Ck_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 Cb u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T]} +2 *2 [C,S] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 137, - label = "Ck_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 CO u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T]} +2 *2 [C,S] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 138, - label = "Ck_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 Cb u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T]} +2 *2 [C,S] u0 r1 {1,[D,T]} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 139, - label = "Ck_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 140, - label = "Ck_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 141, - label = "Ck_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Ct u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 142, - label = "Ck_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cb u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 143, - label = "Ck_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CO u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 144, - label = "Ck_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Ct u0 {2,S} -5 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 145, - label = "Ck_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cb u0 {2,S} -5 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 146, - label = "Ck_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CO u0 {2,S} -5 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 147, - label = "Ck_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {2,S} {7,D} -6 C u0 {4,D} -7 C u0 {5,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 148, - label = "Ck_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 Cd u0 {2,S} {6,D} -5 CS u0 {2,S} -6 C u0 {4,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 149, - label = "Ck_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cd u0 {1,D} {4,S} {5,S} -3 O2d u0 {1,D} -4 CS u0 {2,S} -5 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 150, - label = "Cdd_Cdd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 R!H u0 {1,D} -4 R!H u0 {2,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} """, kinetics = None, ) entry( index = 151, - label = "Ca_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 C u0 {1,D} -4 C u0 {2,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 152, - label = "Ca-Cb_Ca-Cb_cyc6", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 Cd u0 {1,D} {5,S} -4 Cd u0 {2,D} {6,S} -5 Cb u0 {3,S} {6,B} -6 Cb u0 {4,S} {5,B} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} """, kinetics = None, ) entry( index = 153, - label = "Ck_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 O2d u0 {1,D} -4 O2d u0 {2,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 154, - label = "Ca_Ck", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 C u0 {1,D} -4 O2d u0 {2,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} """, kinetics = None, ) entry( index = 155, - label = "Ck_Ca", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R", group = """ -1 *1 Cdd u0 {2,D} {3,D} -2 *2 Cdd u0 {1,D} {4,D} -3 O2d u0 {1,D} -4 C u0 {2,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 156, - label = "Cds_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 R ux {1,S} -4 R ux {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 157, - label = "Cds-HH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,D} +11 R!H ux {10,D} """, kinetics = None, ) entry( index = 158, - label = "Cds-CsH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 R!H ux {10,[S,T,Q,B]} """, kinetics = None, ) entry( index = 159, - label = "Cds-CsCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 160, - label = "Cds-OsH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 161, - label = "Cds-OsCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 162, - label = "Cds-SsH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 S2s u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 163, - label = "Cds-SsCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 S2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 164, - label = "Cds-OneDeH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,D} +7 R!H ux {5,T} +8 R!H ux {6,D} +9 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 165, - label = "Cds-CtH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 166, - label = "Cds-CbH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 167, - label = "Cds-COH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} """, kinetics = None, ) entry( index = 168, - label = "Cds-CdH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 H u0 {1,S} -5 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 169, - label = "Cds-C=SH_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 170, - label = "Cds-OneDeCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,D} +11 R!H ux {10,D} """, kinetics = None, ) entry( index = 171, - label = "Cds-CtCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 R!H ux {10,[S,T,Q,B]} """, kinetics = None, ) entry( index = 172, - label = "Cds-CbCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 173, - label = "Cds-COCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 174, - label = "Cds-CdCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {1,S} -5 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 175, - label = "Cds-C=SCs_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 176, - label = "Cds-TwoDe_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 177, - label = "Cds-CtCt_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Ct u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {5,T} +8 R!H ux {6,[S,T,Q,B]} +9 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 178, - label = "Cds-CtCb_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Cb u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 179, - label = "Cds-CtCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 CO u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} """, kinetics = None, ) entry( index = 180, - label = "Cds-CbCb_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 Cb u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 181, - label = "Cds-CbCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 CO u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 182, - label = "Cds-COCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 CO u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} """, kinetics = None, ) entry( index = 183, - label = "Cds-CdCt_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Ct u0 {1,S} -5 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} """, kinetics = None, ) entry( index = 184, - label = "Cds-CdCb_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {1,S} -5 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 185, - label = "Cds-CdCO_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 CO u0 {1,S} -5 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 186, - label = "Cds-CtC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 CS u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 187, - label = "Cds-CbC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 CS u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 188, - label = "Cds-COC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 CS u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 189, - label = "Cds-CdCd_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {1,S} {6,D} -5 C u0 {3,D} -6 C u0 {4,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,T} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 190, - label = "Cds-CdC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 Cd u0 {1,S} {5,D} -4 CS u0 {1,S} -5 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} """, kinetics = None, ) entry( index = 191, - label = "Cds-C=SC=S_Sd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R", group = """ -1 *1 CS u0 {2,D} {3,S} {4,S} -2 *2 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 CS u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 192, - label = "Cds_Nd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} -2 *2 N u0 {1,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 193, - label = "Cds_N3d", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C", group = """ -1 *1 Cd u0 {2,D} -2 *2 N3d u0 {1,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} """, kinetics = None, ) entry( index = 194, - label = "Cds-HH_N3d", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 N3d u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 195, - label = "Cds-NonDeH_N3d", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 N3d u0 {1,D} -3 H u0 {1,S} -4 [Cs,O2s,N3s,N5sc,S2s] u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 196, - label = "Cds-NonDe2_N3d", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 N3d u0 {1,D} -3 [Cs,O2s,N3s,N5sc,S2s] u0 {1,S} -4 [Cs,O2s,N3s,N5sc,S2s] u0 {1,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,D} +11 R!H ux {10,D} """, kinetics = None, ) entry( index = 197, - label = "Cds_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 R ux {1,S} -4 R ux {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,D} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +11 R!H ux {10,[S,T,Q,B]} """, kinetics = None, ) entry( index = 198, - label = "Cds-HH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 199, - label = "Cds-HH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 200, - label = "Cds-HH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} +9 R!H ux {4,[S,T,Q,B]} +10 R!H ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 201, - label = "Cds-HH_Cds-Cs\O2s/H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 O2s u0 {3,S} +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} {9,S} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {7,[S,D,Q,B]} +6 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {5,[S,D,Q,B]} +8 C ux {6,[S,D,T,B,Q]} +9 C u0 {1,S} """, kinetics = None, ) entry( index = 202, - label = "Cds-HH_Cds-Cs\H3/H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing", group = """ -1 Cs u0 {2,S} {4,S} {5,S} {6,S} -2 *2 Cd u0 {1,S} {3,D} {7,S} -3 *1 Cd u0 {2,D} {8,S} {9,S} -4 H u0 {1,S} -5 H u0 {1,S} -6 H u0 {1,S} -7 H u0 {2,S} -8 H u0 {3,S} -9 H u0 {3,S} +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} {9,S} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {7,[S,D,Q,B]} +6 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {5,[S,D,Q,B]} +8 C ux {6,[S,D,T,B,Q]} +9 C u0 r1 {1,S} """, kinetics = None, ) entry( index = 203, - label = "Cds-HH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} {9,S} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 C ux r0 {2,S} {7,[S,D,Q,B]} +6 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {5,[S,D,Q,B]} +8 C ux {6,[S,D,T,B,Q]} +9 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 204, - label = "Cds-HH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 205, - label = "Cds-HH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} """, kinetics = None, ) entry( index = 206, - label = "Cds-HH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 207, - label = "Cds-HH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 208, - label = "Cds-HH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,D} +10 R!H ux {9,D} """, kinetics = None, ) entry( index = 209, - label = "Cds-HH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,D} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,D} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +10 R!H ux {9,[S,T,Q,B]} """, kinetics = None, ) entry( index = 210, - label = "Cds-HH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 211, - label = "Cds-HH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 212, - label = "Cds-HH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {4,[S,T,Q,B]} +9 R!H ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 213, - label = "Cds-HH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 214, - label = "Cds-HH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 215, - label = "Cds-HH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {7,[S,D,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,Q,B]} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 216, - label = "Cds-HH_Cds-(Cd-Cd-Cb)H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 H u0 {1,S} -6 H u0 {2,S} -7 H u0 {2,S} -8 Cb u0 {4,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 217, - label = "Cds-HH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 218, - label = "Cds-HH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 219, - label = "Cds-HH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 220, - label = "Cds-HH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 221, - label = "Cds-HH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 222, - label = "Cds-HH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {4,T} """, kinetics = None, ) entry( index = 223, - label = "Cds-HH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {4,T} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 224, - label = "Cds-HH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,D} +8 R!H ux {4,T} +9 R!H ux {7,D} """, kinetics = None, ) entry( index = 225, - label = "Cds-HH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,T} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +8 R!H ux {4,T} +9 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 226, - label = "Cds-HH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,[S,D,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 227, - label = "Cds-HH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,[S,D,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,Q,B]} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 228, - label = "Cds-HH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {7,S} +2 *2 C u0 r0 {1,D} {5,S} {6,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {2,S} +6 C u0 r1 {2,S} +7 C u0 r1 {1,S} """, kinetics = None, ) entry( index = 229, - label = "Cds-HH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 C ux r0 {2,S} +6 C ux {2,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 230, - label = "Cds-HH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 C ux {2,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 231, - label = "Cds-HH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {4,S} {7,S} +2 *2 C u0 r0 {1,D} {5,S} {6,S} +3 *3 H u1 +4 C u0 r0 {1,S} {8,T} +5 C u0 r0 {2,S} +6 C u0 {2,S} +7 C u0 r0 {1,S} +8 C u0 {4,T} """, kinetics = None, ) entry( index = 232, - label = "Cds-HH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,D} {4,S} {7,S} +2 *2 C u0 r0 {1,D} {5,S} {6,S} +3 *3 H u1 +4 C u0 r0 {1,S} {8,T} +5 C u0 r0 {2,S} +6 C u0 {2,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {4,T} +9 C u0 {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 233, - label = "Cds-HH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {7,S} +2 *2 C u0 r0 {1,D} {5,S} {6,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {8,T} +5 C u0 r0 {2,S} +6 C u0 r1 {2,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {4,T} +9 C u0 r0 {7,D} """, kinetics = None, ) entry( index = 234, - label = "Cds-HH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {7,S} +2 *2 C u0 r0 {1,D} {5,S} {6,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {8,T} +5 C u0 r0 {2,S} +6 C u0 r1 {2,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 r0 {4,T} +9 C u0 r0 {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 235, - label = "Cds-HH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,[S,D,Q,B]} +5 C ux r0 {2,S} +6 C ux {2,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 236, - label = "Cds-HH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {8,[S,D,Q,B]} +5 C ux r0 {2,S} +6 C ux r1 {2,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {4,[S,D,Q,B]} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 237, - label = "Cds-HH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 238, - label = "Cds-HH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 239, - label = "Cds-HH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_Sp-7R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,D} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 240, - label = "Cds-HH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 241, - label = "Cds-HH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 242, - label = "Cds-HH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 243, - label = "Cds-HH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 244, - label = "Cds-HH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Sp-7R!H=4C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,D} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 245, - label = "Cds-HH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} {7,[S,T]} +5 R!H ux r0 {2,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,T]} """, kinetics = None, ) entry( index = 246, - label = "Cds-HH_Cds-CdCbCbCdCdCd_cycle", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_N-Sp-4C-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cd u0 {2,S} {7,D} -6 Cb u0 {2,S} {8,B} -7 Cd u0 {5,D} {8,S} -8 Cb u0 {6,B} {7,S} +1 *1 [C,O,S] u0 {2,D} {4,D} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,D} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 247, - label = "Cds-HH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [O,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 248, - label = "Cds-HH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [O,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 249, - label = "Cds-HH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 O u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 250, - label = "Cds-HH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 251, - label = "Cds-HH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 252, - label = "Cds-HH_Cds-CdCd_cyc", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 Cd u0 {2,S} {7,D} -6 Cd u0 {2,S} {8,D} -7 Cd u0 {5,D} {9,S} -8 Cd u0 {6,D} {12,S} -9 Cd u0 {7,S} {10,D} -10 Cd u0 {9,D} {11,S} -11 Cd u0 {10,S} {12,D} -12 Cd u0 {8,S} {11,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 253, - label = "Cds-HH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 254, - label = "Cds-HH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 255, - label = "Cds-CsH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 256, - label = "Cds-CsH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 257, - label = "Cds-Cs\O2s/H_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 O2s u0 {3,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 258, - label = "Cds-CsH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 259, - label = "Cds-CsH_Cds-(CsH-Cds-Cds)_cyc6", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {8,S} -4 H u0 {1,S} -5 Cs u0 {2,S} {7,S} -6 H u0 {2,S} -7 Cd u0 {5,S} {8,D} -8 Cd u0 {3,S} {7,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 260, - label = "Cds-CsH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 261, - label = "Cds-CsH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 262, - label = "Cds-CsH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 263, - label = "Cds-CsH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,D} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 R!H ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 264, - label = "Cds-CsH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 265, - label = "Cds-CsH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 266, - label = "Cds-CsH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 267, - label = "Cds-CsH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 268, - label = "Cds-CsH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 269, - label = "Cds-CsH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 270, - label = "Cds-CsH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {4,[S,T,Q,B]} +8 R!H ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 271, - label = "Cds-CsH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} """, kinetics = None, ) entry( index = 272, - label = "Cds-CsH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 273, - label = "Cds-CsH_Cds-(Cd-Cd-Cd-Cd-Cd)H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {7,S} -2 *1 Cd u0 {1,D} {8,S} {9,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {5,S} -5 Cd u0 {4,S} {6,D} -6 Cd u0 {5,D} {10,S} -7 H u0 {1,S} -8 Cs u0 {2,S} -9 H u0 {2,S} -10 Cd u0 {6,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 274, - label = "Cds-CsH_Cds-(Cd-Cd-Cd)H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 H u0 {1,S} -6 Cs u0 {2,S} -7 H u0 {2,S} -8 Cd u0 {4,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,D} +6 R!H ux {5,D} +7 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 275, - label = "Cds-CsH_Cds-Cd(Cd)H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 Cd u0 {3,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} """, kinetics = None, ) entry( index = 276, - label = "Cds-CsH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 277, - label = "Cds-CsH_Cds-(CdsH-Cds)_cyc5", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cs u0 {1,S} {5,S} -4 Cd u0 {2,S} {5,D} -5 Cd u0 {3,S} {4,D} -6 H u0 {1,S} -7 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 278, - label = "Cds-CsH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} {6,T} +6 R!H ux {5,T} +7 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 279, - label = "Cds-CsH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 280, - label = "Cds-CsH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} +5 C ux r0 {2,S} """, kinetics = None, ) entry( index = 281, - label = "Cds-CsH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} +5 C ux r0 {2,S} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 282, - label = "Cds-CsH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} +5 C ux r0 {2,S} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 283, - label = "Cds-CsH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 284, - label = "Cds-CsH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 285, - label = "Cds-CsH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,T} """, kinetics = None, ) entry( index = 286, - label = "Cds-CsH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,T} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 287, - label = "Cds-CsH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,D} +7 R!H ux {4,T} +8 R!H ux {6,D} """, kinetics = None, ) entry( index = 288, - label = "Cds-CsH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_N-Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {7,T} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {4,T} +8 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 289, - label = "Cds-CsH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {7,[S,D,Q,B]} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 290, - label = "Cds-CsH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {7,[S,D,Q,B]} +5 C ux r0 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 291, - label = "Cds-CsH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 292, - label = "Cds-CsH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_Sp-6R!H=4CCClCl", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {6,D} +5 C ux r0 {2,S} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 293, - label = "Cds-CsH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {6,[S,T,Q,B]} +5 C ux r0 {2,S} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 294, - label = "Cds-CsH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl_Ext-4CCl-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} {6,[S,T,Q,B]} {7,[S,D,T,B,Q]} +5 C ux r0 {2,S} +6 R!H ux {4,[S,T,Q,B]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 295, - label = "Cds-CsH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_N-5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,S} +5 O ux r0 {2,S} """, kinetics = None, ) entry( index = 296, - label = "Cds-CsH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_N-Sp-4CCl-1CCClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,D} +2 *2 [C,S] u0 r0 {1,D} {5,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] u0 r0 {1,D} +5 R!H ux r0 {2,S} """, kinetics = None, ) entry( index = 297, - label = "Cds-CsH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,D} """, kinetics = None, ) entry( index = 298, - label = "Cds-CsH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} """, kinetics = None, ) entry( index = 299, - label = "Cds-CsH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 300, - label = "Cds-CsH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 301, - label = "Cds-CsH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 302, - label = "Cds-CsH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 303, - label = "Cds-CsH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,D} +8 R!H ux {7,D} """, kinetics = None, ) entry( index = 304, - label = "Cds-CsH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux r0 {2,D} +6 R!H ux {4,D} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 R!H ux {7,[S,T,Q,B]} """, kinetics = None, ) entry( index = 305, - label = "Cds-CsH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,T,Q,B]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 306, - label = "Cds-CsH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,T,Q,B]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 307, - label = "Cds-CsH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,T,Q,B]} +5 R!H ux r0 {2,D} +6 R!H ux {4,[S,T,Q,B]} +7 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 308, - label = "Cds-CsH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 309, - label = "Cds-CsH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 310, - label = "Cds-CsH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,D} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux r0 {2,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 311, - label = "Cds-CsH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_N-Sp-4R!H-1COS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {4,D} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 H u1 r0 +4 C u0 r0 {1,D} +5 C u0 r0 {2,D} """, kinetics = None, ) entry( index = 312, - label = "Cds-CsH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 313, - label = "Cds-CsCs_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 314, - label = "Cds-CsCs_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,T} """, kinetics = None, ) entry( index = 315, - label = "Cds-CsCs_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,T} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 316, - label = "Cds-CsCs_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,D} +7 R!H ux {4,T} +8 R!H ux {6,D} """, kinetics = None, ) entry( index = 317, - label = "Cds-CsCs_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,T} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +7 R!H ux {4,T} +8 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 318, - label = "Cds-CsCs_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} """, kinetics = None, ) entry( index = 319, - label = "Cds-CsCs_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,Q,B]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,Q,B]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 320, - label = "Cds-CsCs_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 H u1 r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 C u0 r1 {2,S} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 321, - label = "Cds-CsCs_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 H u1 r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 C u0 r1 {2,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 322, - label = "Cds-CsCs_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 323, - label = "Cds-CsCs_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 324, - label = "Cds-CsCs_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,S} {6,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 325, - label = "Cds-CsCs_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {6,T} +5 C u0 r1 {2,S} +6 C u0 r0 {4,T} """, kinetics = None, ) entry( index = 326, - label = "Cds-CsCs_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[B,D,T,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[B,D,T,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 327, - label = "Cds-CsCs_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[B,D,T,Q]} +2 *2 [C,S] u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[B,D,T,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 328, - label = "Cds-CsCs_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 329, - label = "Cds-CsCs_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 330, - label = "Cds-CsCs_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r1 {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 331, - label = "Cds-CsCs_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 332, - label = "Cds-CsCs_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 333, - label = "Cds-CsCs_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} """, kinetics = None, ) entry( index = 334, - label = "Cds-CsCs_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 335, - label = "Cds-CsCs_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 336, - label = "Cds-CsCs_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,D} +6 R!H ux {5,D} +7 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 337, - label = "Cds-CsCs_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 338, - label = "Cds-CsCs_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 339, - label = "Cds-CsCs_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 340, - label = "Cds-CsCs_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,S} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 341, - label = "Cds-CsCs_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[D,T]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[D,T]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 342, - label = "Cds-CsCs_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,D} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,D} """, kinetics = None, ) entry( index = 343, - label = "Cds-CsCs_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {7,[S,T]} +5 R!H ux r0 {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 R!H ux {5,[S,T,Q,B]} +7 R!H ux {4,[S,T]} """, kinetics = None, ) entry( index = 344, - label = "Cds-CsCs_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux r0 {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 345, - label = "Cds-CsCs_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,D} +5 R!H ux r0 {2,[S,D,T,B,Q]} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 346, - label = "Cds-CsCs_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u0 r0 {1,[S,D,T,B,Q]} {6,[S,T,Q,B]} +5 R!H ux r0 {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 347, - label = "Cds-CsCs_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_4R!H->N", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 N u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 348, - label = "Cds-CsCs_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 349, - label = "Cds-CsCs_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 350, - label = "Cds-CsCs_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 351, - label = "Cds-CsCs_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,[S,D,T,B,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 352, - label = "Cds-CsCs_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,S} +5 R!H ux {4,S} +6 R!H ux {4,S} """, kinetics = None, ) entry( index = 353, - label = "Cds-CsCs_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,S} +5 R!H ux {4,S} +6 R!H ux {4,S} +7 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 354, - label = "Cds-CsCs_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_7R!H->F", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,S} +5 R!H ux {4,S} +6 R!H ux {4,S} +7 F ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 355, - label = "Cds-CsCs_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_N-7R!H->F", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,S} +5 R!H ux {4,S} +6 R!H ux {4,S} +7 [N,P,I,Br,Cl,O,C,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 356, - label = "Cds-CsCs_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_N-Sp-6R!H-4CClOS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} {6,[B,D,T,Q]} +5 R!H ux {4,S} +6 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 357, - label = "Cds-CsCs_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r1 {4,S} """, kinetics = None, ) entry( index = 358, - label = "Cds-CsCs_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_Sp-2CS=1CCOSS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r1 {4,S} """, kinetics = None, ) entry( index = 359, - label = "Cds-CsCs_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r1 {4,S} """, kinetics = None, ) entry( index = 360, - label = "Cds-CsCs_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} """, kinetics = None, ) entry( index = 361, - label = "Cds-CsCs_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 362, - label = "Cds-CsCs_Cds-(Cd-Cd-Cd)Cd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 Cd u0 {1,S} -6 Cs u0 {2,S} -7 Cs u0 {2,S} -8 Cd u0 {4,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 363, - label = "Cds-CsCs_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 364, - label = "Cds-CsCs_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 R!H ux r0 {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 365, - label = "Cds-CsCs_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 C ux r0 {4,S} """, kinetics = None, ) entry( index = 366, - label = "Cds-SsH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_N-5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 S2s u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,S} +5 O ux r0 {4,S} """, kinetics = None, ) entry( index = 367, - label = "Cds-SsCs_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 S2s u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 368, - label = "Cds-SsSs_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 S2s u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 369, - label = "Cds-N3sH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 N3s u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 370, - label = "Cds-OsH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 371, - label = "Cds-OsH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 372, - label = "Cds-OsCs_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 373, - label = "Cds-OsOs_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 374, - label = "Cds-OsSs_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O2s u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} +6 R!H ux {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 375, - label = "Cds-OneDe_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [H,Cs,O2s,S2s] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} """, kinetics = None, ) entry( index = 376, - label = "Cds-OneDeH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 377, - label = "Cds-CtH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 378, - label = "Cds-CtH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 379, - label = "Cds-CtH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} {6,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,T} +5 R!H ux {4,T} +6 R!H ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 380, - label = "Cds-CtH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 381, - label = "Cds-CtH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 382, - label = "Cds-CtH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 383, - label = "Cds-CtH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} {6,S} +6 C u0 r1 {5,S} """, kinetics = None, ) entry( index = 384, - label = "Cds-CtH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux r0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 385, - label = "Cds-CtH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux r0 {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} """, kinetics = None, ) entry( index = 386, - label = "Cds-CtH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,S} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,S} {5,D} +5 R!H ux {4,D} {6,[S,D,T,B,Q]} +6 R!H ux r0 {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} """, kinetics = None, ) entry( index = 387, - label = "Cds-CtH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 r0 +4 C u0 r0 {1,S} {5,T} +5 C u0 r0 {4,T} """, kinetics = None, ) entry( index = 388, - label = "Cds-CtH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_N-Sp-4CClOS-1CCClOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,D} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,C,Cl,S] u0 r0 {1,D} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 389, - label = "Cds-CtH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 390, - label = "Cds-CtH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 391, - label = "Cds-CtH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 392, - label = "Cds-CtH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 393, - label = "Cds-CtH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,D} {4,S} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,S} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 394, - label = "Cds-CtH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r1 {1,S} """, kinetics = None, ) entry( index = 395, - label = "Cds-CtH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 H u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 396, - label = "Cds-CtH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,D} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,D} """, kinetics = None, ) entry( index = 397, - label = "Cds-CtH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_N-Sp-2C=1COS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 398, - label = "Cds-CtH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 399, - label = "Cds-CtH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 400, - label = "Cds-CtH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_5R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 O ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 401, - label = "Cds-CtH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 C u0 r0 {1,[S,D,T,B,Q]} +5 [N,P,F,I,Br,Cl,C,Si,S] ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 402, - label = "Cds-CtH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,Cl,S] u0 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 403, - label = "Cds-CtH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,Cl,S] u0 r0 {1,S} """, kinetics = None, ) entry( index = 404, - label = "Cds-CtH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,Cl,S] u0 r0 {1,S} """, kinetics = None, ) entry( index = 405, - label = "Cds-CtH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,S} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,Cl,S] u0 r0 {1,S} """, kinetics = None, ) entry( index = 406, - label = "Cds-CtH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,D} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,Cl,S] u0 r0 {1,D} """, kinetics = None, ) entry( index = 407, - label = "Cds-CtH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,D} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,Cl,S] u0 r0 {1,D} """, kinetics = None, ) entry( index = 408, - label = "Cds-CtH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,D} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 [O,Cl,S] u0 r0 {1,D} """, kinetics = None, ) entry( index = 409, - label = "Cds-CtH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H u1 r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 410, - label = "Cds-CtH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2CS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H u1 r0 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 411, - label = "Cds-CtH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 412, - label = "Cds-CtH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 413, - label = "Cds-CtH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 414, - label = "Cds-CtH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 415, - label = "Cds-CtH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 416, - label = "Cds-CtH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 417, - label = "Cds-CtH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,O,S] u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 418, - label = "Cds-CtH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 419, - label = "Cds-CtH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,O,S] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,S} +7 R!H ux {6,S} """, kinetics = None, ) entry( index = 420, - label = "Cds-CtH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} """, kinetics = None, ) entry( index = 421, - label = "Cds-CtH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[B,D,T,Q]} +7 R!H ux {6,[B,D,T,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 422, - label = "Cds-CtH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 423, - label = "Cds-CtH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 424, - label = "Cds-CtH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 425, - label = "Cds-CtH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 426, - label = "Cds-CtH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 427, - label = "Cds-CtH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Ct u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 428, - label = "Cds-CtH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {8,T} """, kinetics = None, ) entry( index = 429, - label = "Cds-CbH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {8,T} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 430, - label = "Cds-CbH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} {11,D} +10 R!H ux {8,T} +11 R!H ux {9,D} """, kinetics = None, ) entry( index = 431, - label = "Cds-CbH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} {10,T} +9 R!H ux {2,[S,D,T,B,Q]} {11,[S,T,Q,B]} +10 R!H ux {8,T} +11 R!H ux {9,[S,T,Q,B]} """, kinetics = None, ) entry( index = 432, - label = "Cds-CbH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} {9,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r1 {2,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 433, - label = "Cds-CbH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {10,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {8,D} """, kinetics = None, ) entry( index = 434, - label = "Cds-CbH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux r1 {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 C ux r1 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux r1 {6,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {10,D} +9 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 C ux r0 {8,D} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 435, - label = "Cds-CbH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 436, - label = "Cds-CbH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 437, - label = "Cds-CbH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 438, - label = "Cds-CbH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 439, - label = "Cds-CbH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 440, - label = "Cds-CbH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} {9,D} +9 R!H ux {8,D} """, kinetics = None, ) entry( index = 441, - label = "Cds-CbH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 442, - label = "Cds-CbH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 443, - label = "Cds-CbH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_Sp-8R!H-2CS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 444, - label = "Cds-CbH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_N-Sp-8R!H-2CS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,D} """, kinetics = None, ) entry( index = 445, - label = "Cds-CbH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_N-Sp-2CS=1CCOSS", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 [C,O,S] u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} +8 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 446, - label = "Cds-CbH_Cds-Cd(CdCb)H", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2CS=1CCOSS", group = """ -1 *2 Cd u0 {2,D} {3,S} {5,S} -2 *1 Cd u0 {1,D} {6,S} {7,S} -3 Cd u0 {1,S} {4,D} -4 Cd u0 {3,D} {8,S} -5 H u0 {1,S} -6 Cb u0 {2,S} -7 H u0 {2,S} -8 Cb u0 {4,S} +1 *1 [C,O,S] u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 447, - label = "Cds-CbH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 [C,O,S] u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] +4 R!H ux {1,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 448, - label = "Cds-CbH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 +4 C u0 {1,S} {5,B} +5 C u0 {4,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C u0 {6,[S,T,Q,B]} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 449, - label = "Cds-CbH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 +4 C u0 {1,S} {5,B} +5 C u0 {4,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 C u0 {6,[S,T,Q,B]} +8 C u0 {5,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 450, - label = "Cds-CbH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} +3 *3 H u1 r0 +4 C u0 r1 {1,S} {5,B} +5 C u0 r1 {4,B} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} {7,[S,T,Q,B]} {9,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,T,Q,B]} +8 C u0 r1 {5,[S,D,T,B,Q]} +9 C ux r1 {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 451, - label = "Cds-CbH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 452, - label = "Cds-CbH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 453, - label = "Cds-CbH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 454, - label = "Cds-CbH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 455, - label = "Cds-CbH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 456, - label = "Cds-CbH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {6,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,D} """, kinetics = None, ) entry( index = 457, - label = "Cds-CbH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 458, - label = "Cds-CbH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 459, - label = "Cds-CbH_Cds-C=SOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 460, - label = "Cds-CbH_Cds-OneDeSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 461, - label = "Cds-CbH_Cds-CtSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_N-2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 O u0 {2,[D,T,B]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 462, - label = "Cds-CbH_Cds-CbSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 463, - label = "Cds-CbH_Cds-COSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 [C,S] u0 {2,D} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 464, - label = "Cds-CbH_Cds-CdSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,D} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 465, - label = "Cds-CbH_Cds-C=SSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 466, - label = "Cds-CbH_Cds-TwoDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 467, - label = "Cds-CbH_Cds-CtCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 O ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 468, - label = "Cds-CbH_Cds-CtCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_Sp-4O-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 O ux {2,S} """, kinetics = None, ) entry( index = 469, - label = "Cds-CbH_Cds-CtCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_N-Sp-4O-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 H u[1,2,3,4] +4 O ux {2,D} """, kinetics = None, ) entry( index = 470, - label = "Cds-CbH_Cds-CbCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 471, - label = "Cds-CbH_Cds-CbCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 472, - label = "Cds-CbH_Cds-COCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_Sp-5R!H-4BrCClFINPSSi", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux r1 {2,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 473, - label = "Cds-CbH_Cds-CdCt", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux r1 {2,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 474, - label = "Cds-CbH_Cds-CdCb", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi_Ext-2C-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux r1 {2,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 475, - label = "Cds-CbH_Cds-CdCO", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [N,P,F,I,Br,Cl,C,Si,S] ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 476, - label = "Cds-CbH_Cds-CtC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_4BrCClFINPSSi->F", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 F ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 477, - label = "Cds-CbH_Cds-CbC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 478, - label = "Cds-CbH_Cds-COC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 479, - label = "Cds-CbH_Cds-CdCd", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,T} +5 R!H ux {4,T} """, kinetics = None, ) entry( index = 480, - label = "Cds-CbH_Cds-CdC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cb u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,T} +5 R!H ux {4,T} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 481, - label = "Cds-CbH_Cds-C=SC=S", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,T} +5 R!H ux {4,T} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 482, - label = "Cds-COH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,T} +5 R!H ux {4,T} +6 R!H ux {2,[S,D,T,B,Q]} {7,D} +7 R!H ux {6,D} """, kinetics = None, ) entry( index = 483, - label = "Cds-CdH_Cds", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,T} +5 R!H ux {4,T} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 R!H ux {6,[S,T,Q,B]} """, kinetics = None, ) entry( index = 484, - label = "Cds-CdH_Cds-HH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D]} +5 R!H ux {4,[S,D]} """, kinetics = None, ) entry( index = 485, - label = "Cds-CdH_Cds-CsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D]} +5 C ux {4,[S,D]} """, kinetics = None, ) entry( index = 486, - label = "Cds-CdH_Cds-(CsH-Cs-Cds)_cyc6", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {7,S} -2 *2 Cd u0 {1,D} {4,S} {8,S} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {2,S} {6,S} -5 Cd u0 {3,D} {6,S} -6 Cs u0 {4,S} {5,S} -7 H u0 {1,S} -8 H u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D]} +5 C ux {4,[S,D]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 487, - label = "Cds-CdH_Cds-(CsH-Cds)_cyc5", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {2,S} {5,S} -5 C u0 {3,D} {4,S} -6 H u0 {1,S} -7 H u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D]} +5 C ux {4,[S,D]} +6 R!H ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 488, - label = "Cds-CdH_Cds-CsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D]} +5 C ux {4,[S,D]} {7,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 489, - label = "Cds-CdH_Cds-OsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D]} +5 C ux {4,[S,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 490, - label = "Cds-CdH_Cds-OsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,S} {5,[S,D]} +5 C ux {4,[S,D]} """, kinetics = None, ) entry( index = 491, - label = "Cds-CdH_Cds-OsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_5C-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,S} {5,[S,D]} +5 C ux r1 {4,[S,D]} """, kinetics = None, ) entry( index = 492, - label = "Cds-CdH_Cds-SsH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,S} {5,[S,D]} +5 C ux r0 {4,[S,D]} """, kinetics = None, ) entry( index = 493, - label = "Cds-CdH_Cds-SsCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,S} {5,[S,D]} +5 C ux r0 {4,[S,D]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 494, - label = "Cds-CdH_Cds-SsOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R_Ext-5C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,S} {5,[S,D]} +5 C ux r0 {4,[S,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 495, - label = "Cds-CdH_Cds-SsSs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,D} {5,[S,D]} +5 C ux {4,[S,D]} """, kinetics = None, ) entry( index = 496, - label = "Cds-CdH_Cds-OneDe", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_5C-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 R u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,D} {5,[S,D]} +5 C ux r1 {4,[S,D]} """, kinetics = None, ) entry( index = 497, - label = "Cds-CdH_Cds-OneDeH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_N-5C-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 H u1 r0 +4 C u0 r0 {2,D} {5,D} +5 C u0 r0 {4,D} """, kinetics = None, ) entry( index = 498, - label = "Cds-CdH_Cds-CtH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_N-5R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,[S,D,T,B,Q]} {5,[S,D]} +5 O ux {4,[S,D]} """, kinetics = None, ) entry( index = 499, - label = "Cds-CdH_Cds-CbH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,S} """, kinetics = None, ) entry( index = 500, - label = "Cds(CdCb)-CdH_Cds-CbH_cycle", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {7,S} -2 *2 Cd u0 {1,D} {4,S} {8,S} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {2,S} {6,B} -5 Cd u0 {3,D} {6,S} -6 Cb u0 {4,B} {5,S} -7 H u0 {1,S} -8 H u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 C ux r0 {2,S} """, kinetics = None, ) entry( index = 501, - label = "Cds-CdH_Cds-Cb(Cb)H_cycle", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C_Ext-2C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,S} {8,D} -4 Cb u0 {2,S} {5,B} -5 Cb u0 {3,S} {4,B} -6 H u0 {1,S} -7 H u0 {2,S} -8 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,S} +3 *3 H u1 r0 +4 C u0 r0 {2,S} +5 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 502, - label = "Cds-CdH_Cds-COH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_N-4CCl->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 H u[1,2,3,4] +4 Cl ux r0 {2,S} """, kinetics = None, ) entry( index = 503, - label = "Cds-CdH_Cds-CdH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_N-Sp-4CCl-2C", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 H u[1,2,3,4] +4 [C,Cl] ux r0 {2,D} """, kinetics = None, ) entry( index = 504, - label = "Cds-CdH_Cds-CdH_cyc5_1", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_N-2CS->C", group = """ -1 *2 Cd u0 {2,D} {3,S} {6,S} -2 *1 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,S} {8,D} -4 Cd u0 {2,S} {5,D} -5 Cd u0 {3,S} {4,D} -6 H u0 {1,S} -7 H u0 {2,S} -8 C u0 {3,D} +1 *1 C u0 {2,D} +2 *2 S u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 505, - label = "Cds-CdH_Cds-CdH_cyc5_2", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {6,S} -2 *2 Cd u0 {1,D} {4,S} {7,S} -3 Cd u0 {1,S} {5,S} {8,D} -4 Cd u0 {2,S} {5,D} -5 Cd u0 {3,S} {4,D} -6 H u0 {1,S} -7 H u0 {2,S} -8 C u0 {3,D} +1 *1 S u0 {2,D} +2 *2 [C,S] u0 r0 {1,D} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 506, - label = "Cds-CdH_Cds-C=SH", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C_Ext-2CS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 S u0 {2,D} +2 *2 [C,S] u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 507, - label = "Cds-CdH_Cds-OneDeCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} +3 *3 H u[1,2,3,4] """, kinetics = None, ) entry( index = 508, - label = "Cds-CdH_Cds-CtCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 509, - label = "Cds-CdH_Cds-CbCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 510, - label = "Cds-CdH_Cds-COCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 511, - label = "Cds-CdH_Cds-CdCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux r1 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 512, - label = "Cds-CdH_Cds-C=SCs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux r0 {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 513, - label = "Cds-CdH_Cds-OneDeOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 514, - label = "Cds-CdH_Cds-CtOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Sp-5R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 H u1 r0 +4 C u0 r0 {2,S} {5,D} +5 C u0 r0 {4,D} """, kinetics = None, ) entry( index = 515, - label = "Cds-CdH_Cds-CbOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,T]} +5 R!H ux r0 {4,[S,T]} """, kinetics = None, ) entry( index = 516, - label = "Cds-CdH_Cds-COOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C_Ext-4C-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 C ux {2,[S,D,T,B,Q]} {5,[S,T]} {6,[S,D,T,B,Q]} +5 R!H ux r0 {4,[S,T]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 517, - label = "Cds-CdH_Cds-CdOs", + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_N-4R!H->C", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 [C,S] u0 {2,T} +2 *2 [C,S] u0 r0 {1,T} {4,[S,D,T,B,Q]} +3 *3 H u[1,2,3,4] +4 [N,P,F,I,Br,Cl,O,Si,S] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 518, - label = "Cds-CdH_Cds-C=SOs", + label = "Root_3R-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 """, kinetics = None, ) entry( index = 519, - label = "Cds-CdH_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 R!H ux {3,S} """, kinetics = None, ) entry( index = 520, - label = "Cds-CdH_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 O ux r1 {3,S} """, kinetics = None, ) entry( index = 521, - label = "Cds-CdH_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 522, - label = "Cds-CdH_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r1 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 523, - label = "Cds-CdH_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 r1 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} +5 C ux r1 {1,[S,D,T,B,Q]} {6,S} +6 C u0 r1 {5,S} """, kinetics = None, ) entry( index = 524, - label = "Cds-CdH_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r1 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} +5 C ux r1 {1,[S,D,T,B,Q]} {6,[B,D,T,Q]} +6 C u0 r1 {5,[B,D,T,Q]} """, kinetics = None, ) entry( index = 525, - label = "Cds-CdH_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 526, - label = "Cds-CdH_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} """, kinetics = None, ) entry( index = 527, - label = "Cds-CdH_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,S} +4 C ux r1 {3,S} """, kinetics = None, ) entry( index = 528, - label = "Cds-CdH_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} """, kinetics = None, ) entry( index = 529, - label = "Cds-CdH_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 530, - label = "Cds-CdH_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 531, - label = "Cds-CdH_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 532, - label = "Cds-CdH_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 r1 {3,B} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 533, - label = "Cds-CdH_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 534, - label = "Cds-CdH_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 535, - label = "Cds-CdH_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 536, - label = "Cds-CdH_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 {3,B} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} """, kinetics = None, ) entry( index = 537, - label = "Cds-CdH_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 r1 {3,B} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 538, - label = "Cds-CdH_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {8,D} -4 Cd u0 {1,S} {9,D} -5 Cd u0 {2,S} {7,D} -6 H u0 {2,S} -7 C u0 {5,D} -8 C u0 {3,D} -9 C u0 {4,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 539, - label = "Cds-CdH_Cds-CdCd_cyc6", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", group = """ -1 *2 Cd u0 {2,S} {3,D} {4,S} -2 Cd u0 {1,S} {5,S} {10,D} -3 *1 Cd u0 {1,D} {8,S} {9,S} -4 Cd u0 {1,S} {6,D} -5 Cd u0 {2,S} {7,D} -6 Cd u0 {4,D} {7,S} -7 Cd u0 {5,D} {6,S} -8 Cd u0 {3,S} {11,D} -9 H u0 {3,S} -10 C u0 {2,D} -11 C u0 {8,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 540, - label = "Cds-CdH_Cds-CdCd_cyc6_cyc5", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} {9,S} -4 H u0 {1,S} -5 Cd u0 {2,S} {8,D} -6 Cd u0 {2,S} {9,D} {11,S} -7 C u0 {3,D} -8 Cd u0 {5,D} {10,S} -9 C u0 {3,S} {6,D} -10 Cd u0 {8,S} {11,D} -11 Cd u0 {6,S} {10,D} +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 541, - label = "Cds-CdH_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 H u0 {1,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 542, - label = "Cds-CdH_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 543, - label = "Cds-C=SH_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 544, - label = "Cds-OneDeCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 545, - label = "Cds-CtCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 546, - label = "Cds-CtCs_Cds-HH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} """, kinetics = None, ) entry( index = 547, - label = "Cds-CtCs_Cds-CsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,D} """, kinetics = None, ) entry( index = 548, - label = "Cds-CtCs_Cds-CsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 549, - label = "Cds-CtCs_Cds-OsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 550, - label = "Cds-CtCs_Cds-OsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux {5,[S,D,T,B,Q]} {8,B} +8 C u0 {7,B} +9 C ux {6,B} """, kinetics = None, ) entry( index = 551, - label = "Cds-CtCs_Cds-OsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux r1 {5,[S,D,T,B,Q]} {8,B} +8 C u0 r1 {7,B} +9 C ux r1 {6,B} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 552, - label = "Cds-CtCs_Cds-SsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 553, - label = "Cds-CtCs_Cds-SsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 554, - label = "Cds-CtCs_Cds-SsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {10,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,S} {7,B} +6 C ux r0 {2,S} {9,[S,D,T,B,Q]} +7 C u0 r1 {5,B} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 555, - label = "Cds-CtCs_Cds-SsSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 556, - label = "Cds-CtCs_Cds-OneDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 557, - label = "Cds-CtCs_Cds-OneDeH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} """, kinetics = None, ) entry( index = 558, - label = "Cds-CtCs_Cds-CtH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} """, kinetics = None, ) entry( index = 559, - label = "Cds-CtCs_Cds-CbH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} """, kinetics = None, ) entry( index = 560, - label = "Cds-CtCs_Cds-COH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,B]} """, kinetics = None, ) entry( index = 561, - label = "Cds-CtCs_Cds-CdH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,B]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,B]} """, kinetics = None, ) entry( index = 562, - label = "Cds-CtCs_Cds-C=SH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r1 {1,S} +6 C ux {2,S} """, kinetics = None, ) entry( index = 563, - label = "Cds-CtCs_Cds-OneDeCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r1 {1,S} +6 C ux r0 {2,S} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 564, - label = "Cds-CtCs_Cds-CtCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 565, - label = "Cds-CtCs_Cds-CbCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 566, - label = "Cds-CtCs_Cds-COCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 567, - label = "Cds-CtCs_Cds-CdCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 568, - label = "Cds-CtCs_Cds-C=SCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 569, - label = "Cds-CtCs_Cds-OneDeOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 570, - label = "Cds-CtCs_Cds-CtOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 571, - label = "Cds-CtCs_Cds-CbOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 572, - label = "Cds-CtCs_Cds-COOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} """, kinetics = None, ) entry( index = 573, - label = "Cds-CtCs_Cds-CdOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,T} """, kinetics = None, ) entry( index = 574, - label = "Cds-CtCs_Cds-C=SOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 575, - label = "Cds-CtCs_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 576, - label = "Cds-CtCs_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 577, - label = "Cds-CtCs_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,T} """, kinetics = None, ) entry( index = 578, - label = "Cds-CtCs_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 579, - label = "Cds-CtCs_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 580, - label = "Cds-CtCs_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 581, - label = "Cds-CtCs_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 582, - label = "Cds-CtCs_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 583, - label = "Cds-CtCs_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,D} """, kinetics = None, ) entry( index = 584, - label = "Cds-CtCs_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,T} """, kinetics = None, ) entry( index = 585, - label = "Cds-CtCs_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 586, - label = "Cds-CtCs_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 {6,D} """, kinetics = None, ) entry( index = 587, - label = "Cds-CtCs_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} """, kinetics = None, ) entry( index = 588, - label = "Cds-CtCs_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} """, kinetics = None, ) entry( index = 589, - label = "Cds-CtCs_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,D} """, kinetics = None, ) entry( index = 590, - label = "Cds-CtCs_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 591, - label = "Cds-CtCs_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 592, - label = "Cds-CtCs_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {10,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,T} """, kinetics = None, ) entry( index = 593, - label = "Cds-CtCs_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 594, - label = "Cds-CtCs_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 595, - label = "Cds-CtCs_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Ct u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 596, - label = "Cds-CtCs_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 597, - label = "Cds-CbCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} """, kinetics = None, ) entry( index = 598, - label = "Cds-CbCs_Cds-HH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 599, - label = "Cds-CbCs_Cds-CsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 600, - label = "Cds-CbCs_Cds-CsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,D} """, kinetics = None, ) entry( index = 601, - label = "Cds-CbCs_Cds-OsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,T} """, kinetics = None, ) entry( index = 602, - label = "Cds-CbCs_Cds-OsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} """, kinetics = None, ) entry( index = 603, - label = "Cds-CbCs_Cds-OsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 604, - label = "Cds-CbCs_Cds-SsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 605, - label = "Cds-CbCs_Cds-SsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,D} """, kinetics = None, ) entry( index = 606, - label = "Cds-CbCs_Cds-SsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,T} """, kinetics = None, ) entry( index = 607, - label = "Cds-CbCs_Cds-SsSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 608, - label = "Cds-CbCs_Cds-OneDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 609, - label = "Cds-CbCs_Cds-OneDeH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 610, - label = "Cds-CbCs_Cds-CtH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 611, - label = "Cds-CbCs_Cds-CbH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,T} """, kinetics = None, ) entry( index = 612, - label = "Cds-CbCs_Cds-COH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} """, kinetics = None, ) entry( index = 613, - label = "Cds-CbCs_Cds-CdH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 614, - label = "Cds-CbCs_Cds-C=SH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 615, - label = "Cds-CbCs_Cds-OneDeCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,D} """, kinetics = None, ) entry( index = 616, - label = "Cds-CbCs_Cds-CtCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,T} """, kinetics = None, ) entry( index = 617, - label = "Cds-CbCs_Cds-CbCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} """, kinetics = None, ) entry( index = 618, - label = "Cds-CbCs_Cds-COCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 619, - label = "Cds-CbCs_Cds-CdCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 620, - label = "Cds-CbCs_Cds-C=SCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,D} """, kinetics = None, ) entry( index = 621, - label = "Cds-CbCs_Cds-OneDeOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,T} """, kinetics = None, ) entry( index = 622, - label = "Cds-CbCs_Cds-CtOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 623, - label = "Cds-CbCs_Cds-CbOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 624, - label = "Cds-CbCs_Cds-COOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,D} """, kinetics = None, ) entry( index = 625, - label = "Cds-CbCs_Cds-CdOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,T} """, kinetics = None, ) entry( index = 626, - label = "Cds-CbCs_Cds-C=SOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 627, - label = "Cds-CbCs_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 628, - label = "Cds-CbCs_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 629, - label = "Cds-CbCs_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 630, - label = "Cds-CbCs_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,D} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 631, - label = "Cds-CbCs_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux r1 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 632, - label = "Cds-CbCs_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r1 {2,S} +7 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 633, - label = "Cds-CbCs_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {7,D} +6 C u0 r1 {2,S} +7 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 634, - label = "Cds-CbCs_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {7,[S,T,Q,B]} +6 C u0 r1 {2,S} +7 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 635, - label = "Cds-CbCs_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 636, - label = "Cds-CbCs_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 637, - label = "Cds-CbCs_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 638, - label = "Cds-CbCs_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 639, - label = "Cds-CbCs_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 640, - label = "Cds-CbCs_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 641, - label = "Cds-CbCs_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 642, - label = "Cds-CbCs_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 643, - label = "Cds-CbCs_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 644, - label = "Cds-CbCs_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 645, - label = "Cds-CbCs_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 646, - label = "Cds-CbCs_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} """, kinetics = None, ) entry( index = 647, - label = "Cds-CbCs_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Cb u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 648, - label = "Cds-CbCs_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 649, - label = "Cds-COCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 650, - label = "Cds-CdCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 651, - label = "Cds-CdCs_Cds-HH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 652, - label = "Cds-CdCs_Cds-CsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 653, - label = "Cds-CdCs_Cds-CsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,D} """, kinetics = None, ) entry( index = 654, - label = "Cds-CdCs_Cds-OsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,D} """, kinetics = None, ) entry( index = 655, - label = "Cds-CdCs_Cds-OsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,D} """, kinetics = None, ) entry( index = 656, - label = "Cds-CdCs_Cds-OsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 657, - label = "Cds-CdCs_Cds-SsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 658, - label = "Cds-CdCs_Cds-SsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 659, - label = "Cds-CdCs_Cds-SsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} """, kinetics = None, ) entry( index = 660, - label = "Cds-CdCs_Cds-SsSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} """, kinetics = None, ) entry( index = 661, - label = "Cds-CdCs_Cds-OneDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 662, - label = "Cds-CdCs_Cds-OneDeH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} """, kinetics = None, ) entry( index = 663, - label = "Cds-CdCs_Cds-CtH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 664, - label = "Cds-CdCs_Cds-CbH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 665, - label = "Cds-CdCs_Cds-COH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 666, - label = "Cds-CdCs_Cds-(Cd-Cd-Cd)H", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {7,S} -2 *1 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {2,S} {8,D} -5 Cd u0 {3,D} {9,S} -6 Cs u0 {2,S} -7 H u0 {1,S} -8 C u0 {4,D} -9 Cd u0 {5,S} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} """, kinetics = None, ) entry( index = 667, - label = "Cds-CdCs_Cds-CdH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 668, - label = "Cds-CdCs_Cds-C=SH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 669, - label = "Cds-CdCs_Cds-OneDeCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 670, - label = "Cds-CdCs_Cds-CtCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 671, - label = "Cds-CdCs_Cds-CbCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 672, - label = "Cds-CdCs_Cds-COCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 673, - label = "Cds-CdCs_Cds-CdCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 674, - label = "Cds-CdCs_Cds-C=SCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,D} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 675, - label = "Cds-CdCs_Cds-OneDeOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 676, - label = "Cds-CdCs_Cds-CtOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 677, - label = "Cds-CdCs_Cds-CbOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,D} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C ux {5,D} """, kinetics = None, ) entry( index = 678, - label = "Cds-CdCs_Cds-COOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,D} +6 C ux r0 {2,S} +7 C ux {5,D} """, kinetics = None, ) entry( index = 679, - label = "Cds-CdCs_Cds-CdOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,D} +6 C ux r0 {2,D} +7 C ux {5,D} """, kinetics = None, ) entry( index = 680, - label = "Cds-CdCs_Cds-C=SOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 681, - label = "Cds-CdCs_Cds-OneDeSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux r0 {2,S} +7 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 682, - label = "Cds-CdCs_Cds-CtSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux r0 {2,D} +7 C ux {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 683, - label = "Cds-CdCs_Cds-CbSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 C ux r0 {2,S} """, kinetics = None, ) entry( index = 684, - label = "Cds-CdCs_Cds-COSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,S} +6 C ux r0 {2,D} """, kinetics = None, ) entry( index = 685, - label = "Cds-CdCs_Cds-CdSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,D} +6 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 686, - label = "Cds-CdCs_Cds-C=SSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,D} +6 R!H ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 687, - label = "Cds-CdCs_Cds-TwoDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 688, - label = "Cds-CdCs_Cds-CtCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 689, - label = "Cds-CdCs_Cds-CtCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 690, - label = "Cds-CdCs_Cds-CtCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 691, - label = "Cds-CdCs_Cds-CbCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {5,S} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 692, - label = "Cds-CdCs_Cds-CbCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 693, - label = "Cds-CdCs_Cds-COCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 694, - label = "Cds-CdCs_Cds-CdCt", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 695, - label = "Cds-CdCs_Cds-CdCb", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 696, - label = "Cds-CdCs_Cds-CdCO", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 697, - label = "Cds-CdCs_Cds-CtC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 698, - label = "Cds-CdCs_Cds-CbC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 699, - label = "Cds-CdCs_Cds-COC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 700, - label = "Cds-CdCs_Cds-CdCd", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {8,D} -4 Cd u0 {1,S} {9,D} -5 Cd u0 {2,S} {7,D} -6 Cs u0 {2,S} -7 C u0 {5,D} -8 C u0 {3,D} -9 C u0 {4,D} +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {1,D} """, kinetics = None, ) entry( index = 701, - label = "Cds-CdCs_Cds-CdC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Cs u0 {1,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 702, - label = "Cds-CdCs_Cds-C=SC=S", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 703, - label = "Cds-C=SCs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r1 {2,[S,D,T,B,Q]} {6,B} +6 C ux {5,B} """, kinetics = None, ) entry( index = 704, - label = "Cds-OneDeSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r1 {2,[S,D,T,B,Q]} {6,B} +6 C ux r1 {5,B} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 705, - label = "Cds-CtSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 706, - label = "Cds-CbSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 707, - label = "Cds-COSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 708, - label = "Cds-CdSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 709, - label = "Cds-C=SSs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 S2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 710, - label = "Cds-OneDeOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 711, - label = "Cds-CtOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 712, - label = "Cds-CbOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 713, - label = "Cds-COOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 714, - label = "Cds-CdOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 715, - label = "Cds-C=SOs_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 O2s u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} """, kinetics = None, ) entry( index = 716, - label = "Cds-TwoDe_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,S} """, kinetics = None, ) entry( index = 717, - label = "Cds-CtCt_Cds", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} +5 C ux {2,S} """, kinetics = None, ) entry( index = 718, - label = "Cds-CtCt_Cds-HH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} +5 C ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 719, - label = "Cds-CtCt_Cds-CsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 720, - label = "Cds-CtCt_Cds-CsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} +5 C u0 r0 {2,D} """, kinetics = None, ) entry( index = 721, - label = "Cds-CtCt_Cds-OsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} {5,S} +5 C u0 {4,S} """, kinetics = None, ) entry( index = 722, - label = "Cds-CtCt_Cds-OsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,S} +5 C u0 {4,S} {6,D} +6 C u0 r0 {5,D} """, kinetics = None, ) entry( index = 723, - label = "Cds-CtCt_Cds-OsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,S} +5 C u0 {4,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} """, kinetics = None, ) entry( index = 724, - label = "Cds-CtCt_Cds-SsH", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux {3,[B,D,T,Q]} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 725, - label = "Cds-CtCt_Cds-SsCs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 {3,B} {5,B} {6,B} +5 C u0 {4,B} +6 C u0 {4,B} """, kinetics = None, ) entry( index = 726, - label = "Cds-CtCt_Cds-SsOs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r1 {4,B} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,B} {5,B} {6,B} +5 C u0 r1 {4,B} +6 C u0 r1 {4,B} +7 C ux r1 {3,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 727, - label = "Cds-CtCt_Cds-SsSs", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r1 {4,[B,D,T,Q]} +4 C ux r1 {3,[B,D,T,Q]} {5,[B,D,T,Q]} +5 C ux r1 {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 728, - label = "Cds-CtCt_Cds-OneDe", + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r1 {4,B} +4 C u0 r1 {3,B} {5,B} +5 C u0 r1 {4,B} """, kinetics = None, ) entry( index = 729, - label = "Cds-CtCt_Cds-OneDeH", + label = "Root_N-3R-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 """, kinetics = None, ) entry( index = 730, - label = "Cds-CtCt_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 731, - label = "Cds-CtCt_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 732, - label = "Cds-CtCt_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 733, - label = "Cds-CtCt_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 H u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 734, - label = "Cds-CtCt_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 735, - label = "Cds-CtCt_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 736, - label = "Cds-CtCt_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 737, - label = "Cds-CtCt_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 738, - label = "Cds-CtCt_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 739, - label = "Cds-CtCt_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cs u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 740, - label = "Cds-CtCt_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C u0 {3,S} {7,D} +7 C ux {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} """, kinetics = None, ) entry( index = 741, - label = "Cds-CtCt_Cds-OneDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C u0 r0 {3,S} {7,D} +7 C ux {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 742, - label = "Cds-CtCt_Cds-CtOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 743, - label = "Cds-CtCt_Cds-CbOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 744, - label = "Cds-CtCt_Cds-COOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 745, - label = "Cds-CtCt_Cds-CdOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 {12,D} """, kinetics = None, ) entry( index = 746, - label = "Cds-CtCt_Cds-C=SOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux r0 {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 r0 {12,D} +14 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 747, - label = "Cds-CtCt_Cds-OneDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 748, - label = "Cds-CtCt_Cds-CtSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 749, - label = "Cds-CtCt_Cds-CbSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 750, - label = "Cds-CtCt_Cds-COSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 751, - label = "Cds-CtCt_Cds-CdSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {7,D} -7 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 752, - label = "Cds-CtCt_Cds-C=SSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 753, - label = "Cds-CtCt_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 754, - label = "Cds-CtCt_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 755, - label = "Cds-CtCt_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 756, - label = "Cds-CtCt_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 757, - label = "Cds-CtCt_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 758, - label = "Cds-CtCt_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 759, - label = "Cds-CtCt_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {2,S} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 760, - label = "Cds-CtCt_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {2,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 761, - label = "Cds-CtCt_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 762, - label = "Cds-CtCt_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} """, kinetics = None, ) entry( index = 763, - label = "Cds-CtCt_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} """, kinetics = None, ) entry( index = 764, - label = "Cds-CtCt_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 765, - label = "Cds-CtCt_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 766, - label = "Cds-CtCt_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 767, - label = "Cds-CtCt_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 768, - label = "Cds-CtCt_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Ct u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 769, - label = "Cds-CtCb_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 Cb u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 770, - label = "Cds-CtCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 771, - label = "Cds-CbCb_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 Cb u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 772, - label = "Cds-CbCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 773, - label = "Cds-COCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} """, kinetics = None, ) entry( index = 774, - label = "Cds-CdCt_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 775, - label = "Cds-CdCt_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 776, - label = "Cds-CdCt_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 777, - label = "Cds-CdCt_Cds-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 778, - label = "Cds-CdCt_Cds-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 779, - label = "Cds-CdCt_Cds-OsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 780, - label = "Cds-CdCt_Cds-OsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 781, - label = "Cds-CdCt_Cds-SsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 782, - label = "Cds-CdCt_Cds-SsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 783, - label = "Cds-CdCt_Cds-SsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 784, - label = "Cds-CdCt_Cds-SsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 785, - label = "Cds-CdCt_Cds-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 786, - label = "Cds-CdCt_Cds-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 787, - label = "Cds-CdCt_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 788, - label = "Cds-CdCt_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 789, - label = "Cds-CdCt_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 790, - label = "Cds-CdCt_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} """, kinetics = None, ) entry( index = 791, - label = "Cds-CdCt_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,D} """, kinetics = None, ) entry( index = 792, - label = "Cds-CdCt_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 793, - label = "Cds-CdCt_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 794, - label = "Cds-CdCt_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 795, - label = "Cds-CdCt_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 796, - label = "Cds-CdCt_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 797, - label = "Cds-CdCt_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 798, - label = "Cds-CdCt_Cds-OneDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 799, - label = "Cds-CdCt_Cds-CtOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 800, - label = "Cds-CdCt_Cds-CbOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 801, - label = "Cds-CdCt_Cds-COOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {10,[S,D,T,B,Q]} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C u0 r0 {3,S} {7,D} +7 C ux {6,D} +8 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {15,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r1 {2,[S,D,T,B,Q]} {12,B} +12 C ux r1 {11,B} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 802, - label = "Cds-CdCt_Cds-CdOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} """, kinetics = None, ) entry( index = 803, - label = "Cds-CdCt_Cds-C=SOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,T} """, kinetics = None, ) entry( index = 804, - label = "Cds-CdCt_Cds-OneDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 805, - label = "Cds-CdCt_Cds-CtSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +11 C u0 r1 {2,S} {12,B} +12 C u0 r1 {11,B} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 806, - label = "Cds-CdCt_Cds-CbSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 807, - label = "Cds-CdCt_Cds-COSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r1 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux r1 {11,[S,D,T,B,Q]} +13 C ux {8,T} """, kinetics = None, ) entry( index = 808, - label = "Cds-CdCt_Cds-CdSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {8,D} -7 C u0 {3,D} -8 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 809, - label = "Cds-CdCt_Cds-C=SSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 810, - label = "Cds-CdCt_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 811, - label = "Cds-CdCt_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 812, - label = "Cds-CdCt_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {11,S} {13,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,S} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {16,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +11 C ux r0 {2,S} {12,[S,D,T,B,Q]} +12 C u0 {11,[S,D,T,B,Q]} +13 C u0 r0 {2,S} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C u0 r0 {8,[S,D,T,B,Q]} +16 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 813, - label = "Cds-CdCt_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C ux {8,D} """, kinetics = None, ) entry( index = 814, - label = "Cds-CdCt_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {15,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +14 C ux {13,[S,D,T,B,Q]} +15 C ux {8,T} """, kinetics = None, ) entry( index = 815, - label = "Cds-CdCt_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 816, - label = "Cds-CdCt_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} {15,D} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} +15 C u0 {9,D} """, kinetics = None, ) entry( index = 817, - label = "Cds-CdCt_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} {15,D} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} +15 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 818, - label = "Cds-CdCt_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} {15,D} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {2,[S,D,T,B,Q]} +14 C ux {8,D} +15 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 819, - label = "Cds-CdCt_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 {1,S} +10 C u0 {3,S} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C u0 {11,[S,D,T,B,Q]} +13 C u0 {2,S} +14 C u0 {8,D} """, kinetics = None, ) entry( index = 820, - label = "Cds-CdCt_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {2,S} +14 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 821, - label = "Cds-CdCt_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,T} +12 C u0 r0 {11,T} +13 C u0 r0 {2,S} +14 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 822, - label = "Cds-CdCt_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {14,T} +9 C u0 {1,S} +10 C u0 {3,S} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C u0 {11,[S,D,T,B,Q]} +13 C u0 {2,S} +14 C u0 {8,T} """, kinetics = None, ) entry( index = 823, - label = "Cds-CdCt_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {8,D} -4 Cd u0 {1,S} {9,D} -5 Cd u0 {2,S} {7,D} -6 Ct u0 {2,S} -7 C u0 {5,D} -8 C u0 {3,D} -9 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,T} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {2,S} +14 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 824, - label = "Cds-CdCt_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {5,S} -2 *2 Cd u0 {1,D} {4,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {2,S} {8,D} -5 Ct u0 {1,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {11,S} {13,S} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {14,T} +9 C u0 r0 {1,S} +10 C u0 r0 {3,S} +11 C u0 r0 {2,S} {12,T} +12 C u0 r0 {11,T} +13 C u0 r0 {2,S} +14 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 825, - label = "Cds-CdCt_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Ct u0 {1,S} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 826, - label = "Cds-CdCb_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cb u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 827, - label = "Cds-CdCO_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CO u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} """, kinetics = None, ) entry( index = 828, - label = "Cds-CtC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Ct u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 829, - label = "Cds-CbC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cb u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 830, - label = "Cds-COC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CO u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {8,D} """, kinetics = None, ) entry( index = 831, - label = "Cds-CdCd_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,D} +12 C ux {11,D} +13 C ux {8,T} """, kinetics = None, ) entry( index = 832, - label = "Cds-CdCd_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} """, kinetics = None, ) entry( index = 833, - label = "Cds-CdCd_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 834, - label = "Cds-CdCd_Cds-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 835, - label = "Cds-CdCd_Cds-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {8,D} """, kinetics = None, ) entry( index = 836, - label = "Cds-CdCd_Cds-OsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,[S,D,T,B,Q]} {12,T} +12 C ux {11,T} +13 C ux {8,T} """, kinetics = None, ) entry( index = 837, - label = "Cds-CdCd_Cds-OsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 838, - label = "Cds-CdCd_Cds-SsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 839, - label = "Cds-CdCd_Cds-SsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 840, - label = "Cds-CdCd_Cds-SsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 O2s u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 841, - label = "Cds-CdCd_Cds-SsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 S2s u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 R!H ux {2,[S,D,T,B,Q]} +13 C ux {8,T} """, kinetics = None, ) entry( index = 842, - label = "Cds-CdCd_Cds-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 [H,Cs,O2s,S2s] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} """, kinetics = None, ) entry( index = 843, - label = "Cds-CdCd_Cds-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 844, - label = "Cds-CdCd_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,S} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 845, - label = "Cds-CdCd_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} +12 C ux {8,D} """, kinetics = None, ) entry( index = 846, - label = "Cds-CdCd_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,S} +12 C ux {8,T} """, kinetics = None, ) entry( index = 847, - label = "Cds-CdCd_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 H u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} """, kinetics = None, ) entry( index = 848, - label = "Cds-CdCd_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 H u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 849, - label = "Cds-CdCd_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux r0 {2,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 850, - label = "Cds-CdCd_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} +12 C ux {8,D} """, kinetics = None, ) entry( index = 851, - label = "Cds-CdCd_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {11,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {2,D} +12 C ux {8,T} """, kinetics = None, ) entry( index = 852, - label = "Cds-CdCd_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 853, - label = "Cds-CdCd_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Cs u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {10,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 854, - label = "Cds-CdCd_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cs u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {8,D} """, kinetics = None, ) entry( index = 855, - label = "Cds-CdCd_Cds-OneDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {8,T} """, kinetics = None, ) entry( index = 856, - label = "Cds-CdCd_Cds-CtOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 857, - label = "Cds-CdCd_Cds-CbOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 858, - label = "Cds-CdCd_Cds-COOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 859, - label = "Cds-CdCd_Cds-CdOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 Cd u0 {2,S} {9,D} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {6,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 860, - label = "Cds-CdCd_Cds-C=SOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 O2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 861, - label = "Cds-CdCd_Cds-OneDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +10 C u0 r1 {2,[S,D,T,B,Q]} {11,B} +11 C ux r1 {10,B} +12 C ux {2,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 862, - label = "Cds-CdCd_Cds-CtSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 863, - label = "Cds-CdCd_Cds-CbSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} """, kinetics = None, ) entry( index = 864, - label = "Cds-CdCd_Cds-COSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 865, - label = "Cds-CdCd_Cds-CdSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 Cd u0 {2,S} {9,D} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {6,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r1 {2,S} {11,B} +11 C u0 r1 {10,B} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 866, - label = "Cds-CdCd_Cds-C=SSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 S2s u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 867, - label = "Cds-CdCd_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -6 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} """, kinetics = None, ) entry( index = 868, - label = "Cds-CdCd_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 869, - label = "Cds-CdCd_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 870, - label = "Cds-CdCd_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 871, - label = "Cds-CdCd_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 872, - label = "Cds-CdCd_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +10 C ux r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 873, - label = "Cds-CdCd_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 CO u0 {2,S} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} """, kinetics = None, ) entry( index = 874, - label = "Cds-CdCd_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Ct u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} """, kinetics = None, ) entry( index = 875, - label = "Cds-CdCd_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Cb u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 876, - label = "Cds-CdCd_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 CO u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 {9,D} """, kinetics = None, ) entry( index = 877, - label = "Cds-CdCd_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Ct u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 878, - label = "Cds-CdCd_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cb u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 879, - label = "Cds-CdCd_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 CO u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} """, kinetics = None, ) entry( index = 880, - label = "Cds-CdCd_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 Cd u0 {2,S} {10,D} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} -10 C u0 {6,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 881, - label = "Cds-CdCd_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 Cd u0 {2,S} {9,D} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} -9 C u0 {5,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 882, - label = "Cds-CdCd_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 Cd u0 {1,S} {8,D} -5 CS u0 {2,S} -6 CS u0 {2,S} -7 C u0 {3,D} -8 C u0 {4,D} +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} """, kinetics = None, ) entry( index = 883, - label = "Cds-CdC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cd u0 {1,S} {7,D} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} -7 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 884, - label = "Cds-C=SC=S_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 CS u0 {1,S} -4 CS u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} """, kinetics = None, ) entry( index = 885, - label = "Cds-OJH_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 H u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 886, - label = "Cds-OJH_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 887, - label = "Cds-OJH_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 888, - label = "Cds-OJNonDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 889, - label = "Cds-OJCs_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 Cs u0 {1,S} -5 H u0 {2,S} -6 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 890, - label = "Cds-OJDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 O u1 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -5 R u0 {2,S} -6 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} """, kinetics = None, ) entry( index = 891, - label = "Ct_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 R!H u0 {1,T} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} """, kinetics = None, ) entry( index = 892, - label = "Ct_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 Ct u0 {1,T} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 893, - label = "Ct-H_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 894, - label = "Ct-H_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 895, - label = "Ct-Cs_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} """, kinetics = None, ) entry( index = 896, - label = "Ct-Cs_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} """, kinetics = None, ) entry( index = 897, - label = "Ct-H_Ct-De", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 898, - label = "Ct-H_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 899, - label = "Ct-H_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 900, - label = "Ct-H_Ct-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 901, - label = "Ct-H_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 H u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} """, kinetics = None, ) entry( index = 902, - label = "Ct-H_Ct-Cd-C-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 Cd u0 {2,S} {5,D} -5 C u0 {4,D} {6,S} -6 Cb u0 {5,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} """, kinetics = None, ) entry( index = 903, - label = "Ct-H_Ct-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 H u0 {1,S} -4 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 904, - label = "Ct-Cs_Ct-De", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 905, - label = "Ct-Cs_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} """, kinetics = None, ) entry( index = 906, - label = "Ct-Cs_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} """, kinetics = None, ) entry( index = 907, - label = "Ct-Cs_Ct-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} """, kinetics = None, ) entry( index = 908, - label = "Ct-Cs_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cs u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 909, - label = "Ct-Cs_Ct-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cs u0 {1,S} -4 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 910, - label = "Ct-De_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} """, kinetics = None, ) entry( index = 911, - label = "Ct-Cb_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cb u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} """, kinetics = None, ) entry( index = 912, - label = "Ct-CO_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CO u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 913, - label = "Ct-Cd_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 H u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 914, - label = "Ct-Ct_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Ct u0 {1,S} {5,T} -4 H u0 {2,S} -5 Ct u0 {3,T} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} """, kinetics = None, ) entry( index = 915, - label = "Ct-C=S_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CS u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} """, kinetics = None, ) entry( index = 916, - label = "Ct-De_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 917, - label = "Ct-Cb_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cb u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 918, - label = "Ct-CO_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CO u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 919, - label = "Ct-Cd_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 920, - label = "Ct-Ct_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Ct u0 {1,S} {5,T} -4 Cs u0 {2,S} -5 C u0 {3,T} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 921, - label = "Ct-CS_Ct-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 CS u0 {1,S} -4 Cs u0 {2,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 922, - label = "Ct-De_Ct-De", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {12,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 R!H ux r1 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 923, - label = "Ct-Ct_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Ct u0 {1,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 r1 {2,S} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 924, - label = "Ct-Cd_Ct-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Ct u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {3,S} +10 C u0 r1 {2,S} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 925, - label = "Ct-Ct_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Ct u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C u0 r1 {2,S} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 926, - label = "Ct-Cd_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {2,S} {6,D} -5 C u0 {3,D} -6 C u0 {4,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 927, - label = "Ct-Cd_Ct-Cd_cyc6", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cd u0 {2,S} {6,D} -5 Cd u0 {3,D} {6,S} -6 Cd u0 {4,D} {5,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 928, - label = "Ct-De_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 929, - label = "Ct-Cd_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 930, - label = "Ct-CdCdCb_Ct-Cb_cyc6", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {2,S} {6,B} -5 Cd u0 {3,D} {6,S} -6 Cb u0 {4,B} {5,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 931, - label = "Ct-Cb_Ct-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {4,S} -2 *2 Ct u0 {1,T} {3,S} -3 Cd u0 {2,S} -4 Cb u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {14,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 932, - label = "Ct-Cb_Ct-CdCdCb_cyc6", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 Ct u0 {1,T} {4,S} -3 Cd u0 {1,S} {5,D} -4 Cb u0 {2,S} {6,B} -5 Cd u0 {3,D} {6,S} -6 Cb u0 {4,B} {5,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {14,D} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 933, - label = "Ct-Cb_Ct-CdCb_cyc5", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {4,S} -2 *2 Ct u0 {1,T} {3,S} -3 Cd u0 {2,S} {5,S} -4 Cb u0 {1,S} {5,B} -5 Cb u0 {3,S} {4,B} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {14,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 934, - label = "Ct-O_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} -3 O u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 935, - label = "Ct-O_Ct-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 Ct u0 {1,T} {4,S} -3 O u0 {1,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 936, - label = "Ct_Nt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 [N3t,N5tc] u0 {1,T} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 937, - label = "Ct_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 N3t u0 {1,T} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} """, kinetics = None, ) entry( index = 938, - label = "Ct-H_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 N3t u0 {1,T} -3 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 939, - label = "Ct-NonDe_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 N3t u0 {1,T} -3 [Cs,N3s,N5sc,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 940, - label = "Ct-OneDe_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} {3,S} -2 *2 N3t u0 {1,T} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 941, - label = "Ct_N5t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H", group = """ -1 *1 Ct u0 {2,T} -2 *2 N5tc u0 {1,T} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 942, - label = "Od_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 943, - label = "Od_CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *2 C u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 944, - label = "Od_CO-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 945, - label = "Od_CO-NdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} """, kinetics = None, ) entry( index = 946, - label = "Od_CO-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} """, kinetics = None, ) entry( index = 947, - label = "Od_CO-NdNd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cs,O2s,S2s] u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 948, - label = "Od_CO-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 949, - label = "Od_CO-DeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 950, - label = "Od_CO-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cd u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 951, - label = "Od_CO-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 952, - label = "Od_CO-DeNd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS] u0 {1,S} -4 [Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 953, - label = "Od_CO-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Cd u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} """, kinetics = None, ) entry( index = 954, - label = "Od_CO-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *2 CO u0 {2,D} {3,S} {4,S} -2 *1 O2d u0 {1,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 955, - label = "Od_Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *2 C u0 {2,D} {3,D} -2 *1 O2d u0 {1,D} -3 R!H u0 {1,D} +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 956, - label = "Od_Cdd-O2d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 C u0 {1,D} {3,D} -3 O u0 {2,D} +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 957, - label = "Od_Nd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 N u0 {1,D} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} """, kinetics = None, ) entry( index = 958, - label = "Od_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R", group = """ -1 *1 O2d u0 {2,D} -2 *2 N3d u0 {1,D} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 959, - label = "Od_N5dc", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *1 O2d u0 {2,D} -2 *2 N5dc u0 {1,D} +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 960, - label = "Nd_R", - group = "OR{N1dc_R, N3d_R}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,[S,T,Q,B]} +""", kinetics = None, ) entry( index = 961, - label = "N1dc_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *1 N1dc u0 p2 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 962, - label = "N3d_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 963, - label = "N3d_Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 N3d u0 {2,D} -2 *2 [Cd,Cdd] u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 964, - label = "N3d_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {12,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 965, - label = "N3d-H_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {12,D} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 966, - label = "N3d-H_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {12,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 967, - label = "N3d-H_Cds-NonDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -4 H u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 968, - label = "N3d-H_Cds-NonDe2", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -4 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C ux {8,D} """, kinetics = None, ) entry( index = 969, - label = "N3d-NonDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -5 [Cs,N3s,N5sc,O2s,S2s] u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C ux {8,D} """, kinetics = None, ) entry( index = 970, - label = "N3d-OneDe_Cds", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", group = """ -1 *2 Cd u0 {2,D} {3,S} {4,S} -2 *1 N3d u0 {1,D} {5,S} -3 R!H u0 {1,S} -4 R!H u0 {1,S} -5 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C ux {8,D} """, kinetics = None, ) entry( index = 971, - label = "N3d_Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 Cdd u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 972, - label = "N3d_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 O2d u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 973, - label = "N3d-H_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 O2d u0 {1,D} -3 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 974, - label = "N3d-NonDe_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 O2d u0 {1,D} -3 [Cs,N3s,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,S} """, kinetics = None, ) entry( index = 975, - label = "N3d-OneDe_Od", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 O2d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,D} """, kinetics = None, ) entry( index = 976, - label = "N3d_Nd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *1 N3d u0 {2,D} -2 *2 N u0 {1,D} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 977, - label = "N3d_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *1 N3d u0 {2,D} -2 *2 N3d u0 {1,D} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux {3,[S,D,T,B,Q]} +10 R!H ux r0 {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 978, - label = "N3d-H_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} -3 H u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 979, - label = "N3d-H_N3d-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} {4,S} -3 H u0 {1,S} -4 H u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 980, - label = "N3d-H_N3d-NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} {4,S} -3 H u0 {1,S} -4 [Cs,N3s,O2s,S2s] u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 981, - label = "N3d-H_N3d-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} {4,S} -3 H u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 982, - label = "N3d-NonDe_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} -3 [Cs,N3s,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 C u0 {3,S} """, kinetics = None, ) entry( index = 983, - label = "N3d-OneDe_N3d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *1 N3d u0 {2,D} {3,S} -2 *2 N3d u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 {3,S} """, kinetics = None, ) entry( index = 984, - label = "N3d_N5dc", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *1 N3d u0 {2,D} -2 *2 [N5dc,N5tc] u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 {3,S} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 985, - label = "Nt_R", - group = "OR{N3t_R, N5t_R}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {3,S} +10 C u0 r0 {8,D} +""", kinetics = None, ) entry( index = 986, - label = "N3t_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *1 N3t u0 {2,T} -2 *2 R!H u0 {1,T} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {3,S} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 987, - label = "N3t_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *1 N3t u0 {2,T} -2 *2 Ct u0 {1,T} +1 *1 C u0 r0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} {9,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r0 {1,D} +9 C u0 r0 {3,S} """, kinetics = None, ) entry( index = 988, - label = "N3t_Ct-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 N3t u0 {1,T} -3 H u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 989, - label = "N3t_Ct-NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 N3t u0 {1,T} -3 [Cs,N3s,N5sc,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 990, - label = "N3t_Ct-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *2 Ct u0 {2,T} {3,S} -2 *1 N3t u0 {1,T} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 991, - label = "N3t_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *1 N3t u0 {2,T} -2 *2 N3t u0 {1,T} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 992, - label = "N5t_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R", group = """ -1 *1 N5tc u0 {2,T} -2 *2 R!H u0 {1,T} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 993, - label = "Sd_R", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing", group = """ -1 *1 S u0 {2,D} -2 *2 R!H u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 994, - label = "Sd_Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 Cdd u0 {1,D} {3,D} -3 R!H u0 {2,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 995, - label = "Sd_Cdd-S2d", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 Cdd u0 {1,D} {3,D} -3 S2d u0 p2 {2,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 996, - label = "Sd_Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 997, - label = "Sd_Cds-HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 998, - label = "Sd_Cds-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r1 {2,S} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 999, - label = "Sd_Cds-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,D} +9 C u0 r1 {2,S} +10 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1000, - label = "Sd_Cds-OsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r1 {2,S} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1001, - label = "Sd_Cds-CsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1002, - label = "Sd_Cds-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1003, - label = "Sd_Cds-CtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1004, - label = "Sd_Cds-CbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1005, - label = "Sd_Cds-COH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1006, - label = "Sd_Cds-CdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", group = """ -1 *2 CS u0 {2,S} {3,D} {4,S} -2 Cd u0 {1,S} {5,D} -3 *1 S2d u0 p2 {1,D} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1007, - label = "Sd_Cds-C=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1008, - label = "Sd_Cds-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {13,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1009, - label = "Sd_Cds-CtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1010, - label = "Sd_Cds-CbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 1011, - label = "Sd_Cds-COCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 1012, - label = "Sd_Cds-CdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,S} {3,D} {4,S} -2 Cd u0 {1,S} {5,D} -3 *1 S2d u0 p2 {1,D} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} """, kinetics = None, ) entry( index = 1013, - label = "Sd_Cds-C=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1014, - label = "Sd_Cds-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *2 CS u0 {2,D} {3,S} {4,S} -2 *1 S2d u0 p2 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1015, - label = "Sd_Cds-CtCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 Ct u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1016, - label = "Sd_Cds-CtCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1017, - label = "Sd_Cds-CtCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 CO u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1018, - label = "Sd_Cds-CbCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cb u0 {2,S} -4 Cb u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1019, - label = "Sd_Cds-CbCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cb u0 {2,S} -4 CO u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} """, kinetics = None, ) entry( index = 1020, - label = "Sd_Cds-COCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 CO u0 {2,S} -4 CO u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,D} """, kinetics = None, ) entry( index = 1021, - label = "Sd_Cds-CdCt", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 Ct u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,D} """, kinetics = None, ) entry( index = 1022, - label = "Sd_Cds-CdCb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 Cb u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1023, - label = "Sd_Cds-CdCO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 CO u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1024, - label = "Sd_Cds-CtC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Ct u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1025, - label = "Sd_Cds-CbC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cb u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1026, - label = "Sd_Cds-COC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 CO u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1027, - label = "Sd_Cds-CdCd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 Cd u0 {2,S} {6,D} -5 C u0 {3,D} -6 C u0 {4,D} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1028, - label = "Sd_Cds-CdC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 Cd u0 {2,S} {5,D} -4 CS u0 {2,S} -5 C u0 {3,D} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1029, - label = "Sd_Cds-C=SC=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", group = """ -1 *1 S2d u0 p2 {2,D} -2 *2 CS u0 {1,D} {3,S} {4,S} -3 CS u0 {2,S} -4 CS u0 {2,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1030, - label = "HJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *3 H u1 +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1031, - label = "Y_1centerquadrad", - group = "OR{C_quintet, C_triplet}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,[S,T,Q,B]} +""", kinetics = None, ) entry( index = 1032, - label = "C_quintet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *3 C u4 p0 +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1033, - label = "C_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", group = """ -1 *3 C u2 p1 +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1034, - label = "Y_1centertrirad", - group = "OR{N_atom_quartet, N_atom_doublet, CH_quartet, CH_doublet}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,D} +""", kinetics = None, ) entry( index = 1035, - label = "N_atom_quartet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *3 N u3 p1 +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1036, - label = "N_atom_doublet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *3 N u1 p2 +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1037, - label = "CH_quartet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *3 Cs u3 p0 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1038, - label = "CH_doublet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p1 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1039, - label = "Y_1centerbirad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *3 R!H u2 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1040, - label = "O_atom_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", group = """ -1 *3 O u2 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1041, - label = "SJJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", group = """ -1 *3 S u2 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1042, - label = "CH2_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *3 C u2 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1043, - label = "CO_birad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *3 C u2 {2,D} -2 O2d u0 {1,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,D} """, kinetics = None, ) entry( index = 1044, - label = "NH_triplet", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", group = """ -1 *3 N3s u2 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,S} +10 C ux {8,D} """, kinetics = None, ) entry( index = 1045, - label = "CJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,D} +10 C ux {8,D} """, kinetics = None, ) entry( index = 1046, - label = "CbJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *3 Cb u1 p0 +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1047, - label = "CtJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", group = """ -1 *3 Ct u1 p0 {2,T} -2 R!H u0 {1,T} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,S} +10 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1048, - label = "CtJ_Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", group = """ -1 *3 Ct u1 p0 {2,T} -2 Ct u0 {1,T} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,D} +10 C ux {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1049, - label = "CtJ_N3t", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", group = """ -1 *3 Ct u1 p0 {2,T} -2 N3t u0 {1,T} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,S} """, kinetics = None, ) entry( index = 1050, - label = "C2b", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,T} -2 C u1 {1,T} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,D} """, kinetics = None, ) entry( index = 1051, - label = "C=SJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 R u0 {1,S} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1052, - label = "C=SJ-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", group = """ -1 *3 CS u1 p0 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1053, - label = "C=SJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 Cs u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1054, - label = "C=SJ-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *3 CS u1 p0 {2,S} -2 Ct u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1055, - label = "C=SJ-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 Cb u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1056, - label = "C=SJ-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 CO u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1057, - label = "C=SJ-O2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 O2s u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 R!H ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1058, - label = "C=SJ-S2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 S2s u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} """, kinetics = None, ) entry( index = 1059, - label = "C=SJ-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", group = """ -1 *3 CS u1 p0 {2,S} -2 Cd u0 {1,S} {3,D} -3 C u0 {2,D} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1060, - label = "C=SJ-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *3 CS u1 p0 {2,S} -2 CS u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1061, - label = "CO_rad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 R u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1062, - label = "CO_pri_rad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux r0 {1,D} """, kinetics = None, ) entry( index = 1063, - label = "CO_sec_rad", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 R!H u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1064, - label = "CO_rad/NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 [Cs,S2s,N3s,N5sc,O2s] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1065, - label = "CO_rad/OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 O u0 {1,D} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} """, kinetics = None, ) entry( index = 1066, - label = "CsJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 R u0 {1,S} -3 R u0 {1,S} -4 R u0 {1,S} +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} """, kinetics = None, ) entry( index = 1067, - label = "CsJ-HHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1068, - label = "CsJ-CsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1069, - label = "CsJ-CsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1070, - label = "CsJ-CsCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cs u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux {9,B} """, kinetics = None, ) entry( index = 1071, - label = "CsJ-OsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1072, - label = "CsJ-OsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1073, - label = "CsJ-OsCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1074, - label = "CsJ-OsOsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1075, - label = "CsJ-OsOsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1076, - label = "CsJ-OsOsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 O2s u0 {1,S} -3 O2s u0 {1,S} -4 O2s u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1077, - label = "CsJ-SsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1078, - label = "CsJ-SsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1079, - label = "CsJ-SsCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1080, - label = "CsJ-SsSsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 S2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C u0 {3,S} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1081, - label = "CsJ-SsSsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 S2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux r0 {2,S} {10,D} +10 C u0 {9,D} """, kinetics = None, ) entry( index = 1082, - label = "CsJ-SsSsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 S2s u0 {1,S} -3 S2s u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux r0 {2,S} {10,T} +10 C u0 {9,T} """, kinetics = None, ) entry( index = 1083, - label = "CsJ-NsHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 H u0 {1,S} -4 [N3s,N5sc] u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1084, - label = "CsJ-NsCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [N3s,N5sc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} {8,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1085, - label = "CsJ-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [H,Cs,O2s,S2s,N3s,N5sc] u0 {1,S} -4 [H,Cs,O2s,S2s,N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {2,S} """, kinetics = None, ) entry( index = 1086, - label = "CsJ-OneDeHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 R!H ux {2,D} """, kinetics = None, ) entry( index = 1087, - label = "CsJ-CtHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1088, - label = "CsJ-CbHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1089, - label = "CsJ-COHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1090, - label = "CsJ-CdHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1091, - label = "CsJ-(CdC)HH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} {6,S} -3 H u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} -6 C u0 {2,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1092, - label = "CsJ-C=SHH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,D} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,D} {7,[S,D,T,B,Q]} +7 C u0 r0 {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1093, - label = "CsJ-OneDeCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1094, - label = "CsJ-CtCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1095, - label = "CsJ-CbCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1096, - label = "CsJ-COCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} """, kinetics = None, ) entry( index = 1097, - label = "CsJ-CdCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cs u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1098, - label = "CsJ-C=SCsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 Cs u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1099, - label = "CsJ-OneDeOsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1100, - label = "CsJ-OneDeSsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 S2s u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1101, - label = "CsJ-OneDeCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1102, - label = "CsJ-CtCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1103, - label = "CsJ-CbCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1104, - label = "CsJ-COCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} """, kinetics = None, ) entry( index = 1105, - label = "CsJ-CdCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cs u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} """, kinetics = None, ) entry( index = 1106, - label = "CsJ-C=SCsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 Cs u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} {7,D} +7 C u0 {6,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1107, - label = "CsJ-OneDeOsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} """, kinetics = None, ) entry( index = 1108, - label = "CsJ-OneDeSsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 S2s u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 C ux r0 {2,S} {9,T} +9 C u0 {8,T} """, kinetics = None, ) entry( index = 1109, - label = "CsJ-OneDeOsOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 O2s u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1110, - label = "CsJ-OneDeOsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 O2s u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1111, - label = "CsJ-OneDeSsSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 S2s u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,S} """, kinetics = None, ) entry( index = 1112, - label = "CsJ-OneDeNsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 H u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [N3s,N5sc] u0 {1,S} +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {2,D} """, kinetics = None, ) entry( index = 1113, - label = "CsJ-OneDeNsCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} -4 [N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1114, - label = "CsJ-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [H,Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1115, - label = "CsJ-TwoDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1116, - label = "CsJ-CtCtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Ct u0 {1,S} -4 H u0 {1,S} +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1117, - label = "CsJ-CtCbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1118, - label = "CsJ-CtCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1119, - label = "CsJ-CbCbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cb u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1120, - label = "CsJ-CbCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1121, - label = "CsJ-COCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CO u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1122, - label = "CsJ-CdCtH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Ct u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1123, - label = "CsJ-CdCbH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cb u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 1124, - label = "CsJ-CdCOH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CO u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1125, - label = "CsJ-CtC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1126, - label = "CsJ-CbC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1127, - label = "CsJ-COC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1128, - label = "CsJ-CdCdH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cd u0 {1,S} {6,D} -4 H u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} """, kinetics = None, ) entry( index = 1129, - label = "CsJ-CdC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CS u0 {1,S} -4 H u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1130, - label = "CsJ-C=SC=SH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 CS u0 {1,S} -4 H u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1131, - label = "CsJ-TwoDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1132, - label = "CsJ-CtCtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Ct u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1133, - label = "CsJ-CtCbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1134, - label = "CsJ-CtCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1135, - label = "CsJ-CbCbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 Cb u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1136, - label = "CsJ-CbCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1137, - label = "CsJ-COCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CO u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1138, - label = "CsJ-CdCtCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Ct u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} """, kinetics = None, ) entry( index = 1139, - label = "CsJ-CdCbCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cb u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} """, kinetics = None, ) entry( index = 1140, - label = "CsJ-CdCOCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CO u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1141, - label = "CsJ-CtC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Ct u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1142, - label = "CsJ-CbC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cb u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1143, - label = "CsJ-COC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CO u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1144, - label = "CsJ-CdCdCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 Cd u0 {1,S} {6,D} -4 Cs u0 {1,S} -5 C u0 {2,D} -6 C u0 {3,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1145, - label = "CsJ-CdC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 Cd u0 {1,S} {5,D} -3 CS u0 {1,S} -4 Cs u0 {1,S} -5 C u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} """, kinetics = None, ) entry( index = 1146, - label = "CsJ-C=SC=SCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 CS u0 {1,S} -3 CS u0 {1,S} -4 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,D} """, kinetics = None, ) entry( index = 1147, - label = "CsJ-TwoDeOs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 O2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1148, - label = "CsJ-TwoDeSs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 S2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1149, - label = "CsJ-ThreeDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", group = """ -1 *3 C u1 p0 {2,S} {3,S} {4,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -4 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1150, - label = "CdsJ=Cdd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 C u0 {1,D} {4,D} -3 R u0 {1,S} -4 R!H u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1151, - label = "CdsJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 R u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1152, - label = "CdsJ-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 H u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1153, - label = "CdsJ-(CdCb)H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 Cd u1 p0 {2,D} {3,S} -2 Cd u0 {1,D} {4,S} {5,S} -3 H u0 {1,S} -4 Cb u0 {2,S} -5 R u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1154, - label = "CdsJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 Cs u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1155, - label = "CdsJ-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 Ct u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1156, - label = "CdsJ-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 Cb u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1157, - label = "CdsJ-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 CO u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1158, - label = "CdsJ-O2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 C u0 {1,D} {4,S} {5,S} -3 O2s u0 {1,S} -4 R u0 {2,S} -5 R u0 {2,S} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1159, - label = "CdsJ-S2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 C u1 p0 {2,D} {3,S} -2 C u0 {1,D} {4,S} {5,S} -3 S2s u0 {1,S} -4 R u0 {2,S} -5 R u0 {2,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1160, - label = "CdsJ-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 C u0 {2,D} {4,S} {5,S} -2 *3 C u1 p0 {1,D} {3,S} -3 Cd u0 {2,S} {6,D} -4 R u0 {1,S} -5 R u0 {1,S} -6 C u0 {3,D} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1161, - label = "CdsJ-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", group = """ -1 C u0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 {1,D} {5,S} -3 R u0 {1,S} -4 R u0 {1,S} -5 CS u0 {2,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1162, - label = "OJ", - group = "OR{OJ_pri, OJ_sec, O2b}", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +""", kinetics = None, ) entry( index = 1163, - label = "OJ_pri", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1164, - label = "OJ_sec", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", group = """ -1 *3 O u1 {2,S} -2 R!H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1165, - label = "OJ-NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", group = """ -1 *3 O u1 {2,S} -2 [Cs,O2s,S2s,N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1166, - label = "O_rad/NonDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", group = """ -1 *3 O u1 {2,S} -2 [Cs,O2s,S2s] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1167, - label = "OJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 Cs u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1168, - label = "OJ-O2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 O2s u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1169, - label = "OJ-Ns", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 [N3s,N5sc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1170, - label = "OJ-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1171, - label = "O_rad/OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 O u1 {2,S} -2 [Cd,Ct,Cb,CO,CS] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1172, - label = "OJ-OneDeN", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 O u1 {2,S} -2 [N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1173, - label = "OJ-NO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 [N3d,N5dc] u0 {1,S} {3,D} -3 O2d u0 {2,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1174, - label = "O2b", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 O u1 {2,S} -2 O u1 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1175, - label = "SJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *3 S u1 +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1176, - label = "SsJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 R u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1177, - label = "SsJ-H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1178, - label = "SsJ-Cs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", group = """ -1 *3 S2s u1 p2 {2,S} -2 Cs u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 1179, - label = "SsJ-S2s", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 S2s u0 p2 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1180, - label = "SsJ-OneDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1181, - label = "SsJ-Ct", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *3 S2s u1 p2 {2,S} -2 Ct u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} """, kinetics = None, ) entry( index = 1182, - label = "SsJ-Cb", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 Cb u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1183, - label = "SsJ-CO", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 S2s u1 p2 {2,S} -2 CO u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} """, kinetics = None, ) entry( index = 1184, - label = "SsJ-Cd", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", group = """ -1 Cd u0 {2,S} {3,D} -2 *3 S2s u1 p2 {1,S} -3 C u0 {1,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1185, - label = "SsJ-C=S", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 S2s u1 p2 {2,S} -2 CS u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1186, - label = "NJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 N u1 +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1187, - label = "N3J", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 [N3s,N3d] u1 +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1188, - label = "N3sJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *3 N3s u1 +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1189, - label = "NH2J", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 H u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1190, - label = "N3sJ-NonDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [O2s,S2s,N3s,N5sc,Cs] u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1191, - label = "N3sJ-CsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 Cs u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1192, - label = "N3sJ-OsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 O2s u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 1193, - label = "N3sJ-NsH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [N3s,N5sc] u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} """, kinetics = None, ) entry( index = 1194, - label = "N3sJ-NonDe2", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [O2s,Cs,N3s,N5sc,S2s] u0 {1,S} -3 [O2s,Cs,N3s,N5sc,S2s] u0 {1,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1195, - label = "N3sJ-OneDeH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 H u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} """, kinetics = None, ) entry( index = 1196, - label = "N3sJ-OneDeCs", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 Cs u0 {1,S} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} """, kinetics = None, ) entry( index = 1197, - label = "N3sJ-TwoDe", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", group = """ -1 *3 N3s u1 {2,S} {3,S} -2 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} -3 [Cd,Ct,Cb,CO,CS,N3d,N5dc] u0 {1,S} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1198, - label = "N3dJ", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", group = """ -1 *3 N3d u1 +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1199, - label = "N3dJ_C", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", group = """ -1 *3 N3d u1 {2,D} -2 C u0 {1,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1200, - label = "N3dJ_O", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *3 N3d u1 {2,D} -2 O2d u0 {1,D} +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1201, - label = "N3dJ_N", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", group = """ -1 *3 N3d u1 {2,D} -2 N u0 {1,D} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1202, - label = "Cb-naphthalene_Cb-naphthalene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H", group = """ -1 *1 Cbf u0 {2,B} {3,B} {5,B} -2 *2 Cbf u0 {1,B} {4,B} {6,B} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 [Cb,Cbf] u0 {1,B} {7,B} -6 [Cb,Cbf] u0 {2,B} {8,B} -7 [Cb,Cbf] u0 {5,B} {8,B} -8 [Cb,Cbf] u0 {6,B} {7,B} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1203, - label = "Cb-indane_Cb-indane", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", group = """ -1 *1 Cb u0 {2,B} {3,B} {5,[S,B]} -2 *2 Cb u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 C u0 {1,[S,B]} {7,[S,D,T]} -6 C u0 {2,[S,B]} {7,[S,D,T]} -7 C u0 {5,[S,D,T]} {6,[S,D,T]} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1204, - label = "Cb-tetralin_Cb-tetralin", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {5,[S,B]} -2 *2 [Cb,Cbf] u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 C u0 {1,[S,B]} {7,[S,D,B]} -6 C u0 {2,[S,B]} {8,[S,D,B]} -7 C u0 {5,[S,D,B]} {8,[S,D,B]} -8 C u0 {6,[S,D,B]} {7,[S,D,B]} +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 {2,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1205, - label = "Cds-CsH_Cds-CbH-indene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {7,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} {7,B} -7 Cb u0 {3,S} {6,B} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1206, - label = "Cds-CsH_Cds-CbH-dihydronaphthalene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {8,S} -4 H u0 {1,S} -5 H u0 {2,S} -6 Cb u0 {2,S} {7,B} -7 Cb u0 {6,B} {8,S} -8 Cs u0 {7,S} {3,S} +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 C u0 r0 {2,D} +10 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) - entry( index = 1207, - label = "Cds-CsH_Cds-CbCs-dihydronaphthalene", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", group = """ -1 *1 Cd u0 {2,D} {3,S} {4,S} -2 *2 Cd u0 {1,D} {5,S} {6,S} -3 Cs u0 {1,S} {8,S} -4 H u0 {1,S} -5 Cs u0 {2,S} -6 Cb u0 {2,S} {7,B} -7 Cb u0 {6,B} {8,S} -8 Cs u0 {3,S} {7,S} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1208, - label = "Cb-H-Ortho_Cb-C-fused", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} {5,B} -3 H u0 {1,S} -4 C u0 {2,S} -5 Cbf u0 {2,B} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1209, - label = "Cb-H-Para_Cb-H-fused", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", group = """ -1 *1 Cb u0 {2,B} {7,S} {9,B} -2 *2 Cb u0 {1,B} {4,B} {6,S} -3 Cb u0 {4,B} {5,S} {8,B} -4 Cb u0 {2,B} {3,B} -5 R!H u0 {3,S} -6 H u0 {2,S} -7 H u0 {1,S} -8 Cbf u0 {3,B} {9,B} {10,B} -9 Cbf u0 {8,B} {1,B} {11,B} -10 Cb u0 {8,B} -11 Cb u0 {9,B} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1210, - label = "Cb-H_Cb-CbfH", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", group = """ -1 *1 Cb u0 {2,B} {3,S} -2 *2 Cb u0 {1,B} {4,S} {5,B} -3 H u0 {1,S} -4 H u0 {2,S} -5 Cbf u0 {2,B} +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 1211, - label = "Cb-R!H_Cbf-R!H", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H", group = """ -1 *1 [Cb,Cbf] u0 {2,B} {3,B} {5,[S,B]} -2 *2 Cbf u0 {1,B} {4,B} {6,[S,B]} -3 [Cb,Cbf] u0 {1,B} -4 [Cb,Cbf] u0 {2,B} -5 R!H u0 {1,[S,B]} -6 R!H u0 {2,[S,B]} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,S} """, kinetics = None, ) -tree( +entry( + index = 1212, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = """ -L1: R_R - L2: Cb_Cb - L3: Cb-R!H_Cb - L4: Cb-R!H_Cb-R!H - L5: Cb-indane_Cb-indane - L6: Cb-indeneDe_Cb-indeneNde - L6: Cb-indeneNde_Cb-indene_De - L5: Cb-benzofuranNde_Cb-benzofuranDe - L5: Cb-tetralin_Cb-tetralin - L6: Cb-naphthalene_Cb-naphthalene - L5: Cb-R!H_Cbf-R!H - L4: Cb-R!H_Cb-H - L5: Cb-C-cyclic_Cb-H - L6: Cbf-Cb-cyclic_Cb-H - L5: Cb-Cd_Cb-H - L5: Cb-Cs_Cb-H - L3: Cb-H_Cb - L4: Cb-H_Cb-R!H - L5: Cb-H_Cb-indeneNde - L5: Cb-H_Cbf-Cb - L5: Cb-H-Ortho_Cb-C - L6: Cb-H-Ortho_Cb-C-fused - L4: Cb-H_Cb-H - L5: Cb-H-Meta_Cb-H - L5: Cb-H-Para_Cb-H - L6: Cb-H-Para_Cb-H-fused - L5: Cb-H_Cb-H_o_ketene - L5: Cb-H_Cb-CbfH - L2: Cd_R - L3: Cdd_Od - L4: CO2 - L4: Ck_O - L4: C=S_O - L4: Cdd_Od-N3d - L3: CO_O - L4: CO-HH_O - L4: CO-NdH_O - L5: CO-CsH_O - L4: CO-DeH_O - L5: CO-CdH_O - L5: CO-CtH_O - L4: CO-NdNd_O - L5: CO-CsCs_O - L4: CO-DeNd_O - L5: CO-CdCs_O - L5: CO-CtCs_O - L4: CO-DeDe_O - L3: Cdd_Sd - L4: Cdd-Sd_Sd - L3: Cds_Cdd - L4: Cds_Ca - L5: Cds-HH_Ca - L5: Cds-CsH_Ca - L5: Cds-CsCs_Ca - L5: Cds-OneDeH_Ca - L6: Cds-CtH_Ca - L6: Cds-CbH_Ca - L6: Cds-COH_Ca - L6: Cds-CdH_Ca - L6: Cds-C=SH_Ca - L5: Cds-OneDeCs_Ca - L6: Cds-CtCs_Ca - L6: Cds-CbCs_Ca - L6: Cds-COCs_Ca - L6: Cds-CdCs_Ca - L6: Cds-C=SCs_Ca - L5: Cds-TwoDe_Ca - L6: Cds-CtCt_Ca - L6: Cds-CtCb_Ca - L6: Cds-CtCO_Ca - L6: Cds-CbCb_Ca - L6: Cds-CbCO_Ca - L6: Cds-COCO_Ca - L6: Cds-CdCt_Ca - L6: Cds-CdCb_Ca - L6: Cds-CdCO_Ca - L6: Cds-CtC=S_Ca - L6: Cds-CbC=S_Ca - L6: Cds-COC=S_Ca - L6: Cds-CdCd_Ca - L6: Cds-CdC=S_Ca - L6: Cds-C=SC=S_Ca - L4: Cds_Ck - L5: Cds-HH_Ck - L5: Cds-CsH_Ck - L5: Cds-CsCs_Ck - L5: Cds-OneDeH_Ck - L5: Cds-OneDeCs_Ck - L5: Cds-TwoDe_Ck - L3: Cdd_Cds - L4: Ca_Cds - L5: Ca_Cds-HH - L6: Ca-Cdd_Cds-HH - L5: Ca_Cds-CsH - L5: Ca_Cds-CsCs - L5: Ca_Cds-OneDeH - L6: Ca_Cds-CtH - L6: Ca_Cds-CbH - L6: Ca_Cds-COH - L6: Ca_Cds-CdH - L6: Ca_Cds-C=SH - L5: Ca_Cds-OneDeCs - L6: Ca_Cds-CtCs - L6: Ca_Cds-CbCs - L6: Ca_Cds-COCs - L6: Ca_Cds-CdCs - L6: Ca_Cds-C=SCs - L5: Ca_Cds-TwoDe - L6: Ca_Cds-CtCt - L6: Ca_Cds-CtCb - L6: Ca_Cds-CtCO - L6: Ca_Cds-CbCb - L6: Ca_Cds-CbCO - L6: Ca_Cds-COCO - L6: Ca_Cds-CdCt - L6: Ca_Cds-CdCb - L6: Ca_Cds-CdCO - L6: Ca_Cds-CtC=S - L6: Ca_Cds-CbC=S - L6: Ca_Cds-COC=S - L6: Ca_Cds-CdCd - L7: Ca_Cds-CdCdCdCdCd_cycle - L6: Ca_Cds-CdC=S - L6: Ca_Cds-C=SC=S - L4: Ck_Cds - L5: Ck_Cds-HH - L5: Ck_Cds-CsH - L5: Ck_Cds-CsCs - L5: Ck_Cds-OneDeH - L6: Ck_Cds-CtH - L6: Ck_Cds-CbH - L6: Ck_Cds-COH - L6: Ck_Cds-CdH - L6: Ck_Cds-C=SH - L5: Ck_Cds-OneDeCs - L6: Ck_Cds-CtCs - L6: Ck_Cds-CbCs - L6: Ck_Cds-COCs - L6: Ck_Cds-CdCs - L6: Ck_Cds-C=SCs - L5: Ck_Cds-TwoDe - L6: Ck_Cds-CtCt - L6: Ck_Cds-CtCb - L6: Ck_Cds-CtCO - L6: Ck_Cds-CbCb - L6: Ck_Cds-CbCO - L6: Ck_Cds-COCO - L6: Ck_Cds-CdCt - L6: Ck_Cds-CdCb - L6: Ck_Cds-CdCO - L6: Ck_Cds-CtC=S - L6: Ck_Cds-CbC=S - L6: Ck_Cds-COC=S - L6: Ck_Cds-CdCd - L6: Ck_Cds-CdC=S - L6: Ck_Cds-C=SC=S - L3: Cdd_Cdd - L4: Ca_Ca - L5: Ca-Cb_Ca-Cb_cyc6 - L4: Ck_Ck - L4: Ca_Ck - L4: Ck_Ca - L3: Cds_Sd - L4: Cds-HH_Sd - L4: Cds-CsH_Sd - L4: Cds-CsCs_Sd - L4: Cds-OsH_Sd - L4: Cds-OsCs_Sd - L4: Cds-SsH_Sd - L4: Cds-SsCs_Sd - L4: Cds-OneDeH_Sd - L5: Cds-CtH_Sd - L5: Cds-CbH_Sd - L5: Cds-COH_Sd - L5: Cds-CdH_Sd - L5: Cds-C=SH_Sd - L4: Cds-OneDeCs_Sd - L5: Cds-CtCs_Sd - L5: Cds-CbCs_Sd - L5: Cds-COCs_Sd - L5: Cds-CdCs_Sd - L5: Cds-C=SCs_Sd - L4: Cds-TwoDe_Sd - L5: Cds-CtCt_Sd - L5: Cds-CtCb_Sd - L5: Cds-CtCO_Sd - L5: Cds-CbCb_Sd - L5: Cds-CbCO_Sd - L5: Cds-COCO_Sd - L5: Cds-CdCt_Sd - L5: Cds-CdCb_Sd - L5: Cds-CdCO_Sd - L5: Cds-CtC=S_Sd - L5: Cds-CbC=S_Sd - L5: Cds-COC=S_Sd - L5: Cds-CdCd_Sd - L5: Cds-CdC=S_Sd - L5: Cds-C=SC=S_Sd - L3: Cds_Nd - L4: Cds_N3d - L5: Cds-HH_N3d - L5: Cds-NonDeH_N3d - L5: Cds-NonDe2_N3d - L3: Cds_Cds - L4: Cds-HH_Cds - L5: Cds-HH_Cds-HH - L5: Cds-HH_Cds-CsH - L6: Cds-HH_Cds-Cs\O2s/H - L6: Cds-HH_Cds-Cs\H3/H - L5: Cds-HH_Cds-CsCs - L5: Cds-HH_Cds-OsH - L5: Cds-HH_Cds-OsCs - L5: Cds-HH_Cds-OsOs - L5: Cds-HH_Cds-SsH - L5: Cds-HH_Cds-SsCs - L5: Cds-HH_Cds-SsOs - L5: Cds-HH_Cds-SsSs - L5: Cds-HH_Cds-OneDe - L6: Cds-HH_Cds-OneDeH - L7: Cds-HH_Cds-CtH - L7: Cds-HH_Cds-CbH - L7: Cds-HH_Cds-COH - L7: Cds-HH_Cds-(Cd-Cd-Cb)H - L7: Cds-HH_Cds-CdH - L7: Cds-HH_Cds-C=SH - L6: Cds-HH_Cds-OneDeCs - L7: Cds-HH_Cds-CtCs - L7: Cds-HH_Cds-CbCs - L7: Cds-HH_Cds-COCs - L7: Cds-HH_Cds-CdCs - L7: Cds-HH_Cds-C=SCs - L6: Cds-HH_Cds-OneDeOs - L7: Cds-HH_Cds-CtOs - L7: Cds-HH_Cds-CbOs - L7: Cds-HH_Cds-COOs - L7: Cds-HH_Cds-CdOs - L7: Cds-HH_Cds-C=SOs - L6: Cds-HH_Cds-OneDeSs - L7: Cds-HH_Cds-CtSs - L7: Cds-HH_Cds-CbSs - L7: Cds-HH_Cds-COSs - L7: Cds-HH_Cds-CdSs - L7: Cds-HH_Cds-C=SSs - L5: Cds-HH_Cds-TwoDe - L6: Cds-HH_Cds-CtCt - L6: Cds-HH_Cds-CtCb - L6: Cds-HH_Cds-CtCO - L6: Cds-HH_Cds-CbCb - L6: Cds-HH_Cds-CbCO - L6: Cds-HH_Cds-COCO - L6: Cds-HH_Cds-CdCt - L6: Cds-HH_Cds-CdCb - L7: Cds-HH_Cds-CdCbCbCdCdCd_cycle - L6: Cds-HH_Cds-CdCO - L6: Cds-HH_Cds-CtC=S - L6: Cds-HH_Cds-CbC=S - L6: Cds-HH_Cds-COC=S - L6: Cds-HH_Cds-CdCd - L7: Cds-HH_Cds-CdCd_cyc - L6: Cds-HH_Cds-CdC=S - L6: Cds-HH_Cds-C=SC=S - L4: Cds-CsH_Cds - L5: Cds-CsH_Cds-HH - L6: Cds-Cs\O2s/H_Cds-HH - L5: Cds-CsH_Cds-CsH - L6: Cds-CsH_Cds-(CsH-Cds-Cds)_cyc6 - L5: Cds-CsH_Cds-CsCs - L5: Cds-CsH_Cds-OsH - L5: Cds-CsH_Cds-OsCs - L5: Cds-CsH_Cds-OsOs - L5: Cds-CsH_Cds-SsH - L5: Cds-CsH_Cds-SsCs - L5: Cds-CsH_Cds-SsOs - L5: Cds-CsH_Cds-SsSs - L5: Cds-CsH_Cds-OneDe - L6: Cds-CsH_Cds-OneDeH - L7: Cds-CsH_Cds-CtH - L7: Cds-CsH_Cds-CbH - L8: Cds-CsH_Cds-CbH-indene - L8: Cds-CsH_Cds-CbH-dihydronaphthalene - L7: Cds-CsH_Cds-COH - L7: Cds-CsH_Cds-(Cd-Cd-Cd-Cd-Cd)H - L7: Cds-CsH_Cds-(Cd-Cd-Cd)H - L7: Cds-CsH_Cds-Cd(Cd)H - L7: Cds-CsH_Cds-CdH - L8: Cds-CsH_Cds-(CdsH-Cds)_cyc5 - L7: Cds-CsH_Cds-C=SH - L6: Cds-CsH_Cds-OneDeCs - L7: Cds-CsH_Cds-CtCs - L7: Cds-CsH_Cds-CbCs - L8: Cds-CsH_Cds-CbCs-dihydronaphthalene - L7: Cds-CsH_Cds-COCs - L7: Cds-CsH_Cds-CdCs - L7: Cds-CsH_Cds-C=SCs - L6: Cds-CsH_Cds-OneDeOs - L7: Cds-CsH_Cds-CtOs - L7: Cds-CsH_Cds-CbOs - L7: Cds-CsH_Cds-COOs - L7: Cds-CsH_Cds-CdOs - L7: Cds-CsH_Cds-C=SOs - L6: Cds-CsH_Cds-OneDeSs - L7: Cds-CsH_Cds-CtSs - L7: Cds-CsH_Cds-CbSs - L7: Cds-CsH_Cds-COSs - L7: Cds-CsH_Cds-CdSs - L7: Cds-CsH_Cds-C=SSs - L5: Cds-CsH_Cds-TwoDe - L6: Cds-CsH_Cds-CtCt - L6: Cds-CsH_Cds-CtCb - L6: Cds-CsH_Cds-CtCO - L6: Cds-CsH_Cds-CbCb - L6: Cds-CsH_Cds-CbCO - L6: Cds-CsH_Cds-COCO - L6: Cds-CsH_Cds-CdCt - L6: Cds-CsH_Cds-CdCb - L6: Cds-CsH_Cds-CdCO - L6: Cds-CsH_Cds-CtC=S - L6: Cds-CsH_Cds-CbC=S - L6: Cds-CsH_Cds-COC=S - L6: Cds-CsH_Cds-CdCd - L6: Cds-CsH_Cds-CdC=S - L6: Cds-CsH_Cds-C=SC=S - L4: Cds-CsCs_Cds - L5: Cds-CsCs_Cds-HH - L5: Cds-CsCs_Cds-CsH - L5: Cds-CsCs_Cds-CsCs - L5: Cds-CsCs_Cds-OsH - L5: Cds-CsCs_Cds-OsCs - L5: Cds-CsCs_Cds-OsOs - L5: Cds-CsCs_Cds-SsH - L5: Cds-CsCs_Cds-SsCs - L5: Cds-CsCs_Cds-SsOs - L5: Cds-CsCs_Cds-SsSs - L5: Cds-CsCs_Cds-OneDe - L6: Cds-CsCs_Cds-OneDeH - L7: Cds-CsCs_Cds-CtH - L7: Cds-CsCs_Cds-CbH - L7: Cds-CsCs_Cds-COH - L7: Cds-CsCs_Cds-CdH - L7: Cds-CsCs_Cds-C=SH - L6: Cds-CsCs_Cds-OneDeCs - L7: Cds-CsCs_Cds-CtCs - L7: Cds-CsCs_Cds-CbCs - L7: Cds-CsCs_Cds-COCs - L7: Cds-CsCs_Cds-CdCs - L7: Cds-CsCs_Cds-C=SCs - L6: Cds-CsCs_Cds-OneDeOs - L7: Cds-CsCs_Cds-CtOs - L7: Cds-CsCs_Cds-CbOs - L7: Cds-CsCs_Cds-COOs - L7: Cds-CsCs_Cds-CdOs - L7: Cds-CsCs_Cds-C=SOs - L6: Cds-CsCs_Cds-OneDeSs - L7: Cds-CsCs_Cds-CtSs - L7: Cds-CsCs_Cds-CbSs - L7: Cds-CsCs_Cds-COSs - L7: Cds-CsCs_Cds-CdSs - L7: Cds-CsCs_Cds-C=SSs - L5: Cds-CsCs_Cds-TwoDe - L6: Cds-CsCs_Cds-CtCt - L6: Cds-CsCs_Cds-CtCb - L6: Cds-CsCs_Cds-CtCO - L6: Cds-CsCs_Cds-CbCb - L6: Cds-CsCs_Cds-CbCO - L6: Cds-CsCs_Cds-COCO - L6: Cds-CsCs_Cds-CdCt - L6: Cds-CsCs_Cds-CdCb - L6: Cds-CsCs_Cds-CdCO - L6: Cds-CsCs_Cds-CtC=S - L6: Cds-CsCs_Cds-CbC=S - L6: Cds-CsCs_Cds-COC=S - L6: Cds-CsCs_Cds-(Cd-Cd-Cd)Cd - L6: Cds-CsCs_Cds-CdCd - L6: Cds-CsCs_Cds-CdC=S - L6: Cds-CsCs_Cds-C=SC=S - L4: Cds-SsH_Cds - L4: Cds-SsCs_Cds - L4: Cds-SsSs_Cds - L4: Cds-N3sH_Cds - L4: Cds-OsH_Cds - L5: Cds-OsH_Cds-CsH - L4: Cds-OsCs_Cds - L4: Cds-OsOs_Cds - L4: Cds-OsSs_Cds - L4: Cds-OneDe_Cds - L5: Cds-OneDeH_Cds - L6: Cds-CtH_Cds - L7: Cds-CtH_Cds-HH - L7: Cds-CtH_Cds-CsH - L7: Cds-CtH_Cds-CsCs - L7: Cds-CtH_Cds-OsH - L7: Cds-CtH_Cds-OsCs - L7: Cds-CtH_Cds-OsOs - L7: Cds-CtH_Cds-SsH - L7: Cds-CtH_Cds-SsCs - L7: Cds-CtH_Cds-SsOs - L7: Cds-CtH_Cds-SsSs - L7: Cds-CtH_Cds-OneDe - L8: Cds-CtH_Cds-OneDeH - L9: Cds-CtH_Cds-CtH - L9: Cds-CtH_Cds-CbH - L9: Cds-CtH_Cds-COH - L9: Cds-CtH_Cds-CdH - L9: Cds-CtH_Cds-C=SH - L8: Cds-CtH_Cds-OneDeCs - L9: Cds-CtH_Cds-CtCs - L9: Cds-CtH_Cds-CbCs - L9: Cds-CtH_Cds-COCs - L9: Cds-CtH_Cds-CdCs - L9: Cds-CtH_Cds-C=SCs - L8: Cds-CtH_Cds-OneDeOs - L9: Cds-CtH_Cds-CtOs - L9: Cds-CtH_Cds-CbOs - L9: Cds-CtH_Cds-COOs - L9: Cds-CtH_Cds-CdOs - L9: Cds-CtH_Cds-C=SOs - L8: Cds-CtH_Cds-OneDeSs - L9: Cds-CtH_Cds-CtSs - L9: Cds-CtH_Cds-CbSs - L9: Cds-CtH_Cds-COSs - L9: Cds-CtH_Cds-CdSs - L9: Cds-CtH_Cds-C=SSs - L7: Cds-CtH_Cds-TwoDe - L8: Cds-CtH_Cds-CtCt - L8: Cds-CtH_Cds-CtCb - L8: Cds-CtH_Cds-CtCO - L8: Cds-CtH_Cds-CbCb - L8: Cds-CtH_Cds-CbCO - L8: Cds-CtH_Cds-COCO - L8: Cds-CtH_Cds-CdCt - L8: Cds-CtH_Cds-CdCb - L8: Cds-CtH_Cds-CdCO - L8: Cds-CtH_Cds-CtC=S - L8: Cds-CtH_Cds-CbC=S - L8: Cds-CtH_Cds-COC=S - L8: Cds-CtH_Cds-CdCd - L8: Cds-CtH_Cds-CdC=S - L8: Cds-CtH_Cds-C=SC=S - L6: Cds-CbH_Cds - L7: Cds-CbH_Cds-HH - L7: Cds-CbH_Cds-CsH - L7: Cds-CbH_Cds-CsCs - L7: Cds-CbH_Cds-OsH - L7: Cds-CbH_Cds-OsCs - L7: Cds-CbH_Cds-OsOs - L7: Cds-CbH_Cds-SsH - L7: Cds-CbH_Cds-SsCs - L7: Cds-CbH_Cds-SsOs - L7: Cds-CbH_Cds-SsSs - L7: Cds-CbH_Cds-OneDe - L8: Cds-CbH_Cds-OneDeH - L9: Cds-CbH_Cds-CtH - L9: Cds-CbH_Cds-CbH - L9: Cds-CbH_Cds-COH - L9: Cds-CbH_Cds-CdH - L10: Cds-CbH_Cds-Cd(CdCb)H - L9: Cds-CbH_Cds-C=SH - L8: Cds-CbH_Cds-OneDeCs - L9: Cds-CbH_Cds-CtCs - L9: Cds-CbH_Cds-CbCs - L9: Cds-CbH_Cds-COCs - L9: Cds-CbH_Cds-CdCs - L9: Cds-CbH_Cds-C=SCs - L8: Cds-CbH_Cds-OneDeOs - L9: Cds-CbH_Cds-CtOs - L9: Cds-CbH_Cds-CbOs - L9: Cds-CbH_Cds-COOs - L9: Cds-CbH_Cds-CdOs - L9: Cds-CbH_Cds-C=SOs - L8: Cds-CbH_Cds-OneDeSs - L9: Cds-CbH_Cds-CtSs - L9: Cds-CbH_Cds-CbSs - L9: Cds-CbH_Cds-COSs - L9: Cds-CbH_Cds-CdSs - L9: Cds-CbH_Cds-C=SSs - L7: Cds-CbH_Cds-TwoDe - L8: Cds-CbH_Cds-CtCt - L8: Cds-CbH_Cds-CtCb - L8: Cds-CbH_Cds-CtCO - L8: Cds-CbH_Cds-CbCb - L8: Cds-CbH_Cds-CbCO - L8: Cds-CbH_Cds-COCO - L8: Cds-CbH_Cds-CdCt - L8: Cds-CbH_Cds-CdCb - L8: Cds-CbH_Cds-CdCO - L8: Cds-CbH_Cds-CtC=S - L8: Cds-CbH_Cds-CbC=S - L8: Cds-CbH_Cds-COC=S - L8: Cds-CbH_Cds-CdCd - L8: Cds-CbH_Cds-CdC=S - L8: Cds-CbH_Cds-C=SC=S - L6: Cds-COH_Cds - L6: Cds-CdH_Cds - L7: Cds-CdH_Cds-HH - L7: Cds-CdH_Cds-CsH - L8: Cds-CdH_Cds-(CsH-Cs-Cds)_cyc6 - L8: Cds-CdH_Cds-(CsH-Cds)_cyc5 - L7: Cds-CdH_Cds-CsCs - L7: Cds-CdH_Cds-OsH - L7: Cds-CdH_Cds-OsCs - L7: Cds-CdH_Cds-OsOs - L7: Cds-CdH_Cds-SsH - L7: Cds-CdH_Cds-SsCs - L7: Cds-CdH_Cds-SsOs - L7: Cds-CdH_Cds-SsSs - L7: Cds-CdH_Cds-OneDe - L8: Cds-CdH_Cds-OneDeH - L9: Cds-CdH_Cds-CtH - L9: Cds-CdH_Cds-CbH - L10: Cds(CdCb)-CdH_Cds-CbH_cycle - L10: Cds-CdH_Cds-Cb(Cb)H_cycle - L9: Cds-CdH_Cds-COH - L9: Cds-CdH_Cds-CdH - L10: Cds-CdH_Cds-CdH_cyc5_1 - L10: Cds-CdH_Cds-CdH_cyc5_2 - L9: Cds-CdH_Cds-C=SH - L8: Cds-CdH_Cds-OneDeCs - L9: Cds-CdH_Cds-CtCs - L9: Cds-CdH_Cds-CbCs - L9: Cds-CdH_Cds-COCs - L9: Cds-CdH_Cds-CdCs - L9: Cds-CdH_Cds-C=SCs - L8: Cds-CdH_Cds-OneDeOs - L9: Cds-CdH_Cds-CtOs - L9: Cds-CdH_Cds-CbOs - L9: Cds-CdH_Cds-COOs - L9: Cds-CdH_Cds-CdOs - L9: Cds-CdH_Cds-C=SOs - L8: Cds-CdH_Cds-OneDeSs - L9: Cds-CdH_Cds-CtSs - L9: Cds-CdH_Cds-CbSs - L9: Cds-CdH_Cds-COSs - L9: Cds-CdH_Cds-CdSs - L9: Cds-CdH_Cds-C=SSs - L8: Cds-CdH_Cds-TwoDe - L9: Cds-CdH_Cds-CtCt - L9: Cds-CdH_Cds-CtCb - L9: Cds-CdH_Cds-CtCO - L9: Cds-CdH_Cds-CbCb - L9: Cds-CdH_Cds-CbCO - L9: Cds-CdH_Cds-COCO - L9: Cds-CdH_Cds-CdCt - L9: Cds-CdH_Cds-CdCb - L9: Cds-CdH_Cds-CdCO - L9: Cds-CdH_Cds-CtC=S - L9: Cds-CdH_Cds-CbC=S - L9: Cds-CdH_Cds-COC=S - L9: Cds-CdH_Cds-CdCd - L10: Cds-CdH_Cds-CdCd_cyc6 - L11: Cds-CdH_Cds-CdCd_cyc6_cyc5 - L9: Cds-CdH_Cds-CdC=S - L9: Cds-CdH_Cds-C=SC=S - L6: Cds-C=SH_Cds - L5: Cds-OneDeCs_Cds - L6: Cds-CtCs_Cds - L7: Cds-CtCs_Cds-HH - L7: Cds-CtCs_Cds-CsH - L7: Cds-CtCs_Cds-CsCs - L7: Cds-CtCs_Cds-OsH - L7: Cds-CtCs_Cds-OsCs - L7: Cds-CtCs_Cds-OsOs - L7: Cds-CtCs_Cds-SsH - L7: Cds-CtCs_Cds-SsCs - L7: Cds-CtCs_Cds-SsOs - L7: Cds-CtCs_Cds-SsSs - L7: Cds-CtCs_Cds-OneDe - L8: Cds-CtCs_Cds-OneDeH - L9: Cds-CtCs_Cds-CtH - L9: Cds-CtCs_Cds-CbH - L9: Cds-CtCs_Cds-COH - L9: Cds-CtCs_Cds-CdH - L9: Cds-CtCs_Cds-C=SH - L8: Cds-CtCs_Cds-OneDeCs - L9: Cds-CtCs_Cds-CtCs - L9: Cds-CtCs_Cds-CbCs - L9: Cds-CtCs_Cds-COCs - L9: Cds-CtCs_Cds-CdCs - L9: Cds-CtCs_Cds-C=SCs - L8: Cds-CtCs_Cds-OneDeOs - L9: Cds-CtCs_Cds-CtOs - L9: Cds-CtCs_Cds-CbOs - L9: Cds-CtCs_Cds-COOs - L9: Cds-CtCs_Cds-CdOs - L9: Cds-CtCs_Cds-C=SOs - L8: Cds-CtCs_Cds-OneDeSs - L9: Cds-CtCs_Cds-CtSs - L9: Cds-CtCs_Cds-CbSs - L9: Cds-CtCs_Cds-COSs - L9: Cds-CtCs_Cds-CdSs - L9: Cds-CtCs_Cds-C=SSs - L7: Cds-CtCs_Cds-TwoDe - L8: Cds-CtCs_Cds-CtCt - L8: Cds-CtCs_Cds-CtCb - L8: Cds-CtCs_Cds-CtCO - L8: Cds-CtCs_Cds-CbCb - L8: Cds-CtCs_Cds-CbCO - L8: Cds-CtCs_Cds-COCO - L8: Cds-CtCs_Cds-CdCt - L8: Cds-CtCs_Cds-CdCb - L8: Cds-CtCs_Cds-CdCO - L8: Cds-CtCs_Cds-CtC=S - L8: Cds-CtCs_Cds-CbC=S - L8: Cds-CtCs_Cds-COC=S - L8: Cds-CtCs_Cds-CdCd - L8: Cds-CtCs_Cds-CdC=S - L8: Cds-CtCs_Cds-C=SC=S - L6: Cds-CbCs_Cds - L7: Cds-CbCs_Cds-HH - L7: Cds-CbCs_Cds-CsH - L7: Cds-CbCs_Cds-CsCs - L7: Cds-CbCs_Cds-OsH - L7: Cds-CbCs_Cds-OsCs - L7: Cds-CbCs_Cds-OsOs - L7: Cds-CbCs_Cds-SsH - L7: Cds-CbCs_Cds-SsCs - L7: Cds-CbCs_Cds-SsOs - L7: Cds-CbCs_Cds-SsSs - L7: Cds-CbCs_Cds-OneDe - L8: Cds-CbCs_Cds-OneDeH - L9: Cds-CbCs_Cds-CtH - L9: Cds-CbCs_Cds-CbH - L9: Cds-CbCs_Cds-COH - L9: Cds-CbCs_Cds-CdH - L9: Cds-CbCs_Cds-C=SH - L8: Cds-CbCs_Cds-OneDeCs - L9: Cds-CbCs_Cds-CtCs - L9: Cds-CbCs_Cds-CbCs - L9: Cds-CbCs_Cds-COCs - L9: Cds-CbCs_Cds-CdCs - L9: Cds-CbCs_Cds-C=SCs - L8: Cds-CbCs_Cds-OneDeOs - L9: Cds-CbCs_Cds-CtOs - L9: Cds-CbCs_Cds-CbOs - L9: Cds-CbCs_Cds-COOs - L9: Cds-CbCs_Cds-CdOs - L9: Cds-CbCs_Cds-C=SOs - L8: Cds-CbCs_Cds-OneDeSs - L9: Cds-CbCs_Cds-CtSs - L9: Cds-CbCs_Cds-CbSs - L9: Cds-CbCs_Cds-COSs - L9: Cds-CbCs_Cds-CdSs - L9: Cds-CbCs_Cds-C=SSs - L7: Cds-CbCs_Cds-TwoDe - L8: Cds-CbCs_Cds-CtCt - L8: Cds-CbCs_Cds-CtCb - L8: Cds-CbCs_Cds-CtCO - L8: Cds-CbCs_Cds-CbCb - L8: Cds-CbCs_Cds-CbCO - L8: Cds-CbCs_Cds-COCO - L8: Cds-CbCs_Cds-CdCt - L8: Cds-CbCs_Cds-CdCb - L8: Cds-CbCs_Cds-CdCO - L8: Cds-CbCs_Cds-CtC=S - L8: Cds-CbCs_Cds-CbC=S - L8: Cds-CbCs_Cds-COC=S - L8: Cds-CbCs_Cds-CdCd - L8: Cds-CbCs_Cds-CdC=S - L8: Cds-CbCs_Cds-C=SC=S - L6: Cds-COCs_Cds - L6: Cds-CdCs_Cds - L7: Cds-CdCs_Cds-HH - L7: Cds-CdCs_Cds-CsH - L7: Cds-CdCs_Cds-CsCs - L7: Cds-CdCs_Cds-OsH - L7: Cds-CdCs_Cds-OsCs - L7: Cds-CdCs_Cds-OsOs - L7: Cds-CdCs_Cds-SsH - L7: Cds-CdCs_Cds-SsCs - L7: Cds-CdCs_Cds-SsOs - L7: Cds-CdCs_Cds-SsSs - L7: Cds-CdCs_Cds-OneDe - L8: Cds-CdCs_Cds-OneDeH - L9: Cds-CdCs_Cds-CtH - L9: Cds-CdCs_Cds-CbH - L9: Cds-CdCs_Cds-COH - L9: Cds-CdCs_Cds-(Cd-Cd-Cd)H - L9: Cds-CdCs_Cds-CdH - L9: Cds-CdCs_Cds-C=SH - L8: Cds-CdCs_Cds-OneDeCs - L9: Cds-CdCs_Cds-CtCs - L9: Cds-CdCs_Cds-CbCs - L9: Cds-CdCs_Cds-COCs - L9: Cds-CdCs_Cds-CdCs - L9: Cds-CdCs_Cds-C=SCs - L8: Cds-CdCs_Cds-OneDeOs - L9: Cds-CdCs_Cds-CtOs - L9: Cds-CdCs_Cds-CbOs - L9: Cds-CdCs_Cds-COOs - L9: Cds-CdCs_Cds-CdOs - L9: Cds-CdCs_Cds-C=SOs - L8: Cds-CdCs_Cds-OneDeSs - L9: Cds-CdCs_Cds-CtSs - L9: Cds-CdCs_Cds-CbSs - L9: Cds-CdCs_Cds-COSs - L9: Cds-CdCs_Cds-CdSs - L9: Cds-CdCs_Cds-C=SSs - L8: Cds-CdCs_Cds-TwoDe - L9: Cds-CdCs_Cds-CtCt - L9: Cds-CdCs_Cds-CtCb - L9: Cds-CdCs_Cds-CtCO - L9: Cds-CdCs_Cds-CbCb - L9: Cds-CdCs_Cds-CbCO - L9: Cds-CdCs_Cds-COCO - L9: Cds-CdCs_Cds-CdCt - L9: Cds-CdCs_Cds-CdCb - L9: Cds-CdCs_Cds-CdCO - L9: Cds-CdCs_Cds-CtC=S - L9: Cds-CdCs_Cds-CbC=S - L9: Cds-CdCs_Cds-COC=S - L9: Cds-CdCs_Cds-CdCd - L9: Cds-CdCs_Cds-CdC=S - L9: Cds-CdCs_Cds-C=SC=S - L6: Cds-C=SCs_Cds - L5: Cds-OneDeSs_Cds - L6: Cds-CtSs_Cds - L6: Cds-CbSs_Cds - L6: Cds-COSs_Cds - L6: Cds-CdSs_Cds - L6: Cds-C=SSs_Cds - L5: Cds-OneDeOs_Cds - L6: Cds-CtOs_Cds - L6: Cds-CbOs_Cds - L6: Cds-COOs_Cds - L6: Cds-CdOs_Cds - L6: Cds-C=SOs_Cds - L4: Cds-TwoDe_Cds - L5: Cds-CtCt_Cds - L6: Cds-CtCt_Cds-HH - L6: Cds-CtCt_Cds-CsH - L6: Cds-CtCt_Cds-CsCs - L6: Cds-CtCt_Cds-OsH - L6: Cds-CtCt_Cds-OsCs - L6: Cds-CtCt_Cds-OsOs - L6: Cds-CtCt_Cds-SsH - L6: Cds-CtCt_Cds-SsCs - L6: Cds-CtCt_Cds-SsOs - L6: Cds-CtCt_Cds-SsSs - L6: Cds-CtCt_Cds-OneDe - L7: Cds-CtCt_Cds-OneDeH - L8: Cds-CtCt_Cds-CtH - L8: Cds-CtCt_Cds-CbH - L8: Cds-CtCt_Cds-COH - L8: Cds-CtCt_Cds-CdH - L8: Cds-CtCt_Cds-C=SH - L7: Cds-CtCt_Cds-OneDeCs - L8: Cds-CtCt_Cds-CtCs - L8: Cds-CtCt_Cds-CbCs - L8: Cds-CtCt_Cds-COCs - L8: Cds-CtCt_Cds-CdCs - L8: Cds-CtCt_Cds-C=SCs - L7: Cds-CtCt_Cds-OneDeOs - L8: Cds-CtCt_Cds-CtOs - L8: Cds-CtCt_Cds-CbOs - L8: Cds-CtCt_Cds-COOs - L8: Cds-CtCt_Cds-CdOs - L8: Cds-CtCt_Cds-C=SOs - L7: Cds-CtCt_Cds-OneDeSs - L8: Cds-CtCt_Cds-CtSs - L8: Cds-CtCt_Cds-CbSs - L8: Cds-CtCt_Cds-COSs - L8: Cds-CtCt_Cds-CdSs - L8: Cds-CtCt_Cds-C=SSs - L6: Cds-CtCt_Cds-TwoDe - L7: Cds-CtCt_Cds-CtCt - L7: Cds-CtCt_Cds-CtCb - L7: Cds-CtCt_Cds-CtCO - L7: Cds-CtCt_Cds-CbCb - L7: Cds-CtCt_Cds-CbCO - L7: Cds-CtCt_Cds-COCO - L7: Cds-CtCt_Cds-CdCt - L7: Cds-CtCt_Cds-CdCb - L7: Cds-CtCt_Cds-CdCO - L7: Cds-CtCt_Cds-CtC=S - L7: Cds-CtCt_Cds-CbC=S - L7: Cds-CtCt_Cds-COC=S - L7: Cds-CtCt_Cds-CdCd - L7: Cds-CtCt_Cds-CdC=S - L7: Cds-CtCt_Cds-C=SC=S - L5: Cds-CtCb_Cds - L5: Cds-CtCO_Cds - L5: Cds-CbCb_Cds - L5: Cds-CbCO_Cds - L5: Cds-COCO_Cds - L5: Cds-CdCt_Cds - L6: Cds-CdCt_Cds-HH - L6: Cds-CdCt_Cds-CsH - L6: Cds-CdCt_Cds-CsCs - L6: Cds-CdCt_Cds-OsH - L6: Cds-CdCt_Cds-OsCs - L6: Cds-CdCt_Cds-OsOs - L6: Cds-CdCt_Cds-SsH - L6: Cds-CdCt_Cds-SsCs - L6: Cds-CdCt_Cds-SsOs - L6: Cds-CdCt_Cds-SsSs - L6: Cds-CdCt_Cds-OneDe - L7: Cds-CdCt_Cds-OneDeH - L8: Cds-CdCt_Cds-CtH - L8: Cds-CdCt_Cds-CbH - L8: Cds-CdCt_Cds-COH - L8: Cds-CdCt_Cds-CdH - L8: Cds-CdCt_Cds-C=SH - L7: Cds-CdCt_Cds-OneDeCs - L8: Cds-CdCt_Cds-CtCs - L8: Cds-CdCt_Cds-CbCs - L8: Cds-CdCt_Cds-COCs - L8: Cds-CdCt_Cds-CdCs - L8: Cds-CdCt_Cds-C=SCs - L7: Cds-CdCt_Cds-OneDeOs - L8: Cds-CdCt_Cds-CtOs - L8: Cds-CdCt_Cds-CbOs - L8: Cds-CdCt_Cds-COOs - L8: Cds-CdCt_Cds-CdOs - L8: Cds-CdCt_Cds-C=SOs - L7: Cds-CdCt_Cds-OneDeSs - L8: Cds-CdCt_Cds-CtSs - L8: Cds-CdCt_Cds-CbSs - L8: Cds-CdCt_Cds-COSs - L8: Cds-CdCt_Cds-CdSs - L8: Cds-CdCt_Cds-C=SSs - L6: Cds-CdCt_Cds-TwoDe - L7: Cds-CdCt_Cds-CtCt - L7: Cds-CdCt_Cds-CtCb - L7: Cds-CdCt_Cds-CtCO - L7: Cds-CdCt_Cds-CbCb - L7: Cds-CdCt_Cds-CbCO - L7: Cds-CdCt_Cds-COCO - L7: Cds-CdCt_Cds-CdCt - L7: Cds-CdCt_Cds-CdCb - L7: Cds-CdCt_Cds-CdCO - L7: Cds-CdCt_Cds-CtC=S - L7: Cds-CdCt_Cds-CbC=S - L7: Cds-CdCt_Cds-COC=S - L7: Cds-CdCt_Cds-CdCd - L7: Cds-CdCt_Cds-CdC=S - L7: Cds-CdCt_Cds-C=SC=S - L5: Cds-CdCb_Cds - L5: Cds-CdCO_Cds - L5: Cds-CtC=S_Cds - L5: Cds-CbC=S_Cds - L5: Cds-COC=S_Cds - L5: Cds-CdCd_Cds - L6: Cds-CdCd_Cds-HH - L6: Cds-CdCd_Cds-CsH - L6: Cds-CdCd_Cds-CsCs - L6: Cds-CdCd_Cds-OsH - L6: Cds-CdCd_Cds-OsCs - L6: Cds-CdCd_Cds-OsOs - L6: Cds-CdCd_Cds-SsH - L6: Cds-CdCd_Cds-SsCs - L6: Cds-CdCd_Cds-SsOs - L6: Cds-CdCd_Cds-SsSs - L6: Cds-CdCd_Cds-OneDe - L7: Cds-CdCd_Cds-OneDeH - L8: Cds-CdCd_Cds-CtH - L8: Cds-CdCd_Cds-CbH - L8: Cds-CdCd_Cds-COH - L8: Cds-CdCd_Cds-CdH - L8: Cds-CdCd_Cds-C=SH - L7: Cds-CdCd_Cds-OneDeCs - L8: Cds-CdCd_Cds-CtCs - L8: Cds-CdCd_Cds-CbCs - L8: Cds-CdCd_Cds-COCs - L8: Cds-CdCd_Cds-CdCs - L8: Cds-CdCd_Cds-C=SCs - L7: Cds-CdCd_Cds-OneDeOs - L8: Cds-CdCd_Cds-CtOs - L8: Cds-CdCd_Cds-CbOs - L8: Cds-CdCd_Cds-COOs - L8: Cds-CdCd_Cds-CdOs - L8: Cds-CdCd_Cds-C=SOs - L7: Cds-CdCd_Cds-OneDeSs - L8: Cds-CdCd_Cds-CtSs - L8: Cds-CdCd_Cds-CbSs - L8: Cds-CdCd_Cds-COSs - L8: Cds-CdCd_Cds-CdSs - L8: Cds-CdCd_Cds-C=SSs - L6: Cds-CdCd_Cds-TwoDe - L7: Cds-CdCd_Cds-CtCt - L7: Cds-CdCd_Cds-CtCb - L7: Cds-CdCd_Cds-CtCO - L7: Cds-CdCd_Cds-CbCb - L7: Cds-CdCd_Cds-CbCO - L7: Cds-CdCd_Cds-COCO - L7: Cds-CdCd_Cds-CdCt - L7: Cds-CdCd_Cds-CdCb - L7: Cds-CdCd_Cds-CdCO - L7: Cds-CdCd_Cds-CtC=S - L7: Cds-CdCd_Cds-CbC=S - L7: Cds-CdCd_Cds-COC=S - L7: Cds-CdCd_Cds-CdCd - L7: Cds-CdCd_Cds-CdC=S - L7: Cds-CdCd_Cds-C=SC=S - L5: Cds-CdC=S_Cds - L5: Cds-C=SC=S_Cds - L4: Cds-OJH_Cds - L5: Cds-OJH_Cds-HH - L5: Cds-OJH_Cds-CsH - L4: Cds-OJNonDe_Cds - L5: Cds-OJCs_Cds-HH - L4: Cds-OJDe_Cds - L2: Ct_R - L3: Ct_Ct - L4: Ct-H_Ct-H - L4: Ct-H_Ct-Cs - L4: Ct-Cs_Ct-H - L4: Ct-Cs_Ct-Cs - L4: Ct-H_Ct-De - L5: Ct-H_Ct-Ct - L5: Ct-H_Ct-Cb - L5: Ct-H_Ct-CO - L5: Ct-H_Ct-Cd - L6: Ct-H_Ct-Cd-C-Cb - L5: Ct-H_Ct-C=S - L4: Ct-Cs_Ct-De - L5: Ct-Cs_Ct-Ct - L5: Ct-Cs_Ct-Cb - L5: Ct-Cs_Ct-CO - L5: Ct-Cs_Ct-Cd - L5: Ct-Cs_Ct-C=S - L4: Ct-De_Ct-H - L5: Ct-Cb_Ct-H - L5: Ct-CO_Ct-H - L5: Ct-Cd_Ct-H - L5: Ct-Ct_Ct-H - L5: Ct-C=S_Ct-H - L4: Ct-De_Ct-Cs - L5: Ct-Cb_Ct-Cs - L5: Ct-CO_Ct-Cs - L5: Ct-Cd_Ct-Cs - L5: Ct-Ct_Ct-Cs - L5: Ct-CS_Ct-Cs - L4: Ct-De_Ct-De - L5: Ct-Ct_Ct-Ct - L5: Ct-Cd_Ct-Ct - L5: Ct-Ct_Ct-Cd - L5: Ct-Cd_Ct-Cd - L6: Ct-Cd_Ct-Cd_cyc6 - L5: Ct-De_Ct-Cb - L6: Ct-Cd_Ct-Cb - L7: Ct-CdCdCb_Ct-Cb_cyc6 - L5: Ct-Cb_Ct-Cd - L6: Ct-Cb_Ct-CdCdCb_cyc6 - L6: Ct-Cb_Ct-CdCb_cyc5 - L4: Ct-O_Ct - L5: Ct-O_Ct-Cb - L3: Ct_Nt - L4: Ct_N3t - L5: Ct-H_N3t - L5: Ct-NonDe_N3t - L5: Ct-OneDe_N3t - L4: Ct_N5t - L2: Od_R - L3: Od_CO - L4: Od_CO-HH - L4: Od_CO-NdH - L5: Od_CO-CsH - L4: Od_CO-NdNd - L5: Od_CO-CsCs - L4: Od_CO-DeH - L5: Od_CO-CdH - L5: Od_CO-CtH - L4: Od_CO-DeNd - L5: Od_CO-CdCs - L5: Od_CO-CtCs - L3: Od_Cdd - L4: Od_Cdd-O2d - L3: Od_Nd - L4: Od_N3d - L4: Od_N5dc - L2: Nd_R - L3: N1dc_R - L3: N3d_R - L4: N3d_Cd - L5: N3d_Cds - L6: N3d-H_Cds - L7: N3d-H_Cds-HH - L7: N3d-H_Cds-NonDeH - L7: N3d-H_Cds-NonDe2 - L6: N3d-NonDe_Cds - L6: N3d-OneDe_Cds - L5: N3d_Cdd - L4: N3d_Od - L5: N3d-H_Od - L5: N3d-NonDe_Od - L5: N3d-OneDe_Od - L4: N3d_Nd - L5: N3d_N3d - L6: N3d-H_N3d - L7: N3d-H_N3d-H - L7: N3d-H_N3d-NonDe - L7: N3d-H_N3d-OneDe - L6: N3d-NonDe_N3d - L6: N3d-OneDe_N3d - L5: N3d_N5dc - L2: Nt_R - L3: N3t_R - L4: N3t_Ct - L5: N3t_Ct-H - L5: N3t_Ct-NonDe - L5: N3t_Ct-OneDe - L4: N3t_N3t - L3: N5t_R - L2: Sd_R - L3: Sd_Cdd - L4: Sd_Cdd-S2d - L3: Sd_Cd - L4: Sd_Cds-HH - L4: Sd_Cds-CsH - L4: Sd_Cds-OsH - L4: Sd_Cds-OsCs - L4: Sd_Cds-CsCs - L4: Sd_Cds-OneDeH - L5: Sd_Cds-CtH - L5: Sd_Cds-CbH - L5: Sd_Cds-COH - L5: Sd_Cds-CdH - L5: Sd_Cds-C=SH - L4: Sd_Cds-OneDeCs - L5: Sd_Cds-CtCs - L5: Sd_Cds-CbCs - L5: Sd_Cds-COCs - L5: Sd_Cds-CdCs - L5: Sd_Cds-C=SCs - L4: Sd_Cds-TwoDe - L5: Sd_Cds-CtCt - L5: Sd_Cds-CtCb - L5: Sd_Cds-CtCO - L5: Sd_Cds-CbCb - L5: Sd_Cds-CbCO - L5: Sd_Cds-COCO - L5: Sd_Cds-CdCt - L5: Sd_Cds-CdCb - L5: Sd_Cds-CdCO - L5: Sd_Cds-CtC=S - L5: Sd_Cds-CbC=S - L5: Sd_Cds-COC=S - L5: Sd_Cds-CdCd - L5: Sd_Cds-CdC=S - L5: Sd_Cds-C=SC=S -L1: YJ - L2: HJ - L2: Y_1centerquadrad - L3: C_quintet - L3: C_triplet - L2: Y_1centertrirad - L3: N_atom_quartet - L3: N_atom_doublet - L3: CH_quartet - L3: CH_doublet - L2: Y_1centerbirad - L3: O_atom_triplet - L3: SJJ - L3: CH2_triplet - L3: CO_birad - L3: NH_triplet - L2: CJ - L3: CbJ - L3: CtJ - L4: CtJ_Ct - L4: CtJ_N3t - L3: C2b - L3: C=SJ - L4: C=SJ-H - L4: C=SJ-Cs - L4: C=SJ-Ct - L4: C=SJ-Cb - L4: C=SJ-CO - L4: C=SJ-O2s - L4: C=SJ-S2s - L4: C=SJ-Cd - L4: C=SJ-C=S - L3: CO_rad - L4: CO_pri_rad - L4: CO_sec_rad - L5: CO_rad/NonDe - L5: CO_rad/OneDe - L3: CsJ - L4: CsJ-HHH - L4: CsJ-CsHH - L4: CsJ-CsCsH - L4: CsJ-CsCsCs - L4: CsJ-OsHH - L4: CsJ-OsCsH - L4: CsJ-OsCsCs - L4: CsJ-OsOsH - L4: CsJ-OsOsCs - L4: CsJ-OsOsOs - L4: CsJ-SsHH - L4: CsJ-SsCsH - L4: CsJ-SsCsCs - L4: CsJ-SsSsH - L4: CsJ-SsSsCs - L4: CsJ-SsSsSs - L4: CsJ-NsHH - L4: CsJ-NsCsH - L4: CsJ-OneDe - L5: CsJ-OneDeHH - L6: CsJ-CtHH - L6: CsJ-CbHH - L6: CsJ-COHH - L6: CsJ-CdHH - L7: CsJ-(CdC)HH - L6: CsJ-C=SHH - L5: CsJ-OneDeCsH - L6: CsJ-CtCsH - L6: CsJ-CbCsH - L6: CsJ-COCsH - L6: CsJ-CdCsH - L6: CsJ-C=SCsH - L5: CsJ-OneDeOsH - L5: CsJ-OneDeSsH - L5: CsJ-OneDeCsCs - L6: CsJ-CtCsCs - L6: CsJ-CbCsCs - L6: CsJ-COCsCs - L6: CsJ-CdCsCs - L6: CsJ-C=SCsCs - L5: CsJ-OneDeOsCs - L5: CsJ-OneDeSsCs - L5: CsJ-OneDeOsOs - L5: CsJ-OneDeOsSs - L5: CsJ-OneDeSsSs - L5: CsJ-OneDeNsH - L5: CsJ-OneDeNsCs - L4: CsJ-TwoDe - L5: CsJ-TwoDeH - L6: CsJ-CtCtH - L6: CsJ-CtCbH - L6: CsJ-CtCOH - L6: CsJ-CbCbH - L6: CsJ-CbCOH - L6: CsJ-COCOH - L6: CsJ-CdCtH - L6: CsJ-CdCbH - L6: CsJ-CdCOH - L6: CsJ-CtC=SH - L6: CsJ-CbC=SH - L6: CsJ-COC=SH - L6: CsJ-CdCdH - L6: CsJ-CdC=SH - L6: CsJ-C=SC=SH - L5: CsJ-TwoDeCs - L6: CsJ-CtCtCs - L6: CsJ-CtCbCs - L6: CsJ-CtCOCs - L6: CsJ-CbCbCs - L6: CsJ-CbCOCs - L6: CsJ-COCOCs - L6: CsJ-CdCtCs - L6: CsJ-CdCbCs - L6: CsJ-CdCOCs - L6: CsJ-CtC=SCs - L6: CsJ-CbC=SCs - L6: CsJ-COC=SCs - L6: CsJ-CdCdCs - L6: CsJ-CdC=SCs - L6: CsJ-C=SC=SCs - L5: CsJ-TwoDeOs - L5: CsJ-TwoDeSs - L4: CsJ-ThreeDe - L3: CdsJ=Cdd - L3: CdsJ - L4: CdsJ-H - L5: CdsJ-(CdCb)H - L4: CdsJ-Cs - L4: CdsJ-Ct - L4: CdsJ-Cb - L4: CdsJ-CO - L4: CdsJ-O2s - L4: CdsJ-S2s - L4: CdsJ-Cd - L4: CdsJ-C=S - L2: OJ - L3: OJ_pri - L3: OJ_sec - L4: OJ-NonDe - L5: O_rad/NonDe - L6: OJ-Cs - L6: OJ-O2s - L5: OJ-Ns - L4: OJ-OneDe - L5: O_rad/OneDe - L5: OJ-OneDeN - L6: OJ-NO - L3: O2b - L2: SJ - L3: SsJ - L4: SsJ-H - L4: SsJ-Cs - L4: SsJ-S2s - L4: SsJ-OneDe - L5: SsJ-Ct - L5: SsJ-Cb - L5: SsJ-CO - L5: SsJ-Cd - L5: SsJ-C=S - L2: NJ - L3: N3J - L4: N3sJ - L5: NH2J - L5: N3sJ-NonDeH - L6: N3sJ-CsH - L6: N3sJ-OsH - L6: N3sJ-NsH - L5: N3sJ-NonDe2 - L5: N3sJ-OneDeH - L5: N3sJ-OneDeCs - L5: N3sJ-TwoDe - L4: N3dJ - L5: N3dJ_C - L5: N3dJ_O - L5: N3dJ_N +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", + group = """ +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,S} +""", + kinetics = None, ) -forbidden( - label = "O2d", +entry( + index = 1215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", group = """ -1 *1 O u0 {2,D} -2 *2 O u0 {1,D} +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {1,S} +9 C u0 {2,D} """, - shortDesc = u"""""", - longDesc = -u""" + kinetics = None, +) + +entry( + index = 1216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r1 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +10 C u0 r1 {2,[S,D,T,B,Q]} {11,B} +11 C ux r1 {10,B} +12 C ux {2,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r1 {2,S} {11,B} +11 C u0 r1 {10,B} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {15,[S,D,T,B,Q]} +10 C ux r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} {14,D} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 1256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +""", + kinetics = None, +) + +entry( + index = 1261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 C ux r0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {10,S} {12,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +10 C ux r1 {2,S} {11,[S,D,T,B,Q]} +11 C u0 r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +13 C u0 r0 {8,[S,D,T,B,Q]} +14 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {13,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux r1 {10,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {15,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux r0 {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 r0 {12,D} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {14,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {15,[S,D,T,B,Q]} +10 C u0 r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux r0 {10,D} +12 C ux {2,[S,D,T,B,Q]} {13,D} +13 C u0 r0 {12,D} +14 C u0 r0 {8,[S,D,T,B,Q]} +15 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {14,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,D} +14 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C ux {8,D} +14 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} {14,D} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C ux {8,D} +14 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,D} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} {9,S} +2 *2 C u0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 {1,S} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C u0 {10,[S,D,T,B,Q]} +12 C u0 {2,S} +13 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} {12,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,T} +9 C u0 r0 {1,S} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {2,S} +13 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 1350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +""", + kinetics = None, +) + +entry( + index = 1355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +""", + kinetics = None, +) + +entry( + index = 1361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,D} +11 C ux {10,D} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +""", + kinetics = None, +) + +entry( + index = 1366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,T} +11 C u0 r0 {10,T} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux r0 {2,[S,D,T,B,Q]} {11,T} +11 C ux {10,T} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C u0 r0 {8,[S,D,T,B,Q]} +13 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,T} +9 C ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 R!H ux {2,[S,D,T,B,Q]} +12 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,S} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} {9,S} +2 *2 C u0 r0 {1,D} {10,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +10 C u0 {2,D} +11 C u0 r0 {8,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {10,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {2,D} +11 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux r1 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux {1,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r1 {2,S} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r1 {2,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r1 {2,S} +10 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {13,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {13,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,D} +9 C ux r0 {2,D} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {10,[S,T,Q,B]} +9 C ux r0 {2,D} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 C ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} +10 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C u0 r0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,D} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r1 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,D} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} {10,T} +9 C ux r1 {2,[S,D,T,B,Q]} +10 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1512, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1513, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1514, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1515, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1516, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1517, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1518, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1519, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1520, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1521, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1522, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,[S,D,T,B,Q]} {13,[S,T,Q,B]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1523, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1524, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1525, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1526, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1527, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1528, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1529, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1530, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1531, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1532, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1533, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1534, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1535, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1536, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1537, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1538, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1539, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1540, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1541, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1542, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1543, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1544, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1545, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1546, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1547, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1548, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1549, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1550, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1551, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1552, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1553, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1554, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1555, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1556, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1557, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1558, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1559, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1560, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,T} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 1564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 1566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +""", + kinetics = None, +) + +entry( + index = 1567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1576, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1577, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1578, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1579, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1580, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1581, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1582, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1583, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1584, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1585, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {11,[S,T,Q,B]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1586, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1587, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1588, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1589, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1590, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1591, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1592, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1593, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1594, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1595, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1596, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1597, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {11,[S,T,Q,B]} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1598, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,D} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,[S,D,T,B,Q]} +10 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,S} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,T} +9 C u0 r0 {2,D} +10 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,D} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {8,D} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,D} +9 R!H ux r0 {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,D} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,D} +9 C u0 r0 {2,S} +10 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {9,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,T,Q,B]} +9 C u0 r0 {2,S} +10 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {8,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {8,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 1651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 1659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +""", + kinetics = None, +) + +entry( + index = 1665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,D} +9 C u0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 1718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +""", + kinetics = None, +) + +entry( + index = 1749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 1760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {14,S} +2 *2 C u0 {1,D} {8,S} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r1 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,B} +10 C u0 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r1 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r1 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {13,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {13,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {13,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r1 {2,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {14,S} +2 *2 C u0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {14,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 r0 {2,S} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +14 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 1788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +13 C ux {12,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,T} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,D} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,T} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {8,T} +12 C ux {2,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,D} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,D} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,T} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,T} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 {2,S} {11,[S,D,T,B,Q]} +9 C u0 {7,B} {10,B} +10 C u0 {9,B} +11 C u0 {8,[S,D,T,B,Q]} +12 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,D} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,D} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {12,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} {9,B} +8 C u0 r0 {2,S} {11,T} +9 C u0 r1 {7,B} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {8,T} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 1813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,D} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {8,[S,T]} +""", + kinetics = None, +) + +entry( + index = 1816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +""", + kinetics = None, +) + +entry( + index = 1817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {11,[S,T]} +9 C ux r1 {7,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux r0 {8,[S,T]} +""", + kinetics = None, +) + +entry( + index = 1818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C u0 {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[B,D]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r1 {1,S} +8 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 1833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,[S,B]} +""", + kinetics = None, +) + +entry( + index = 1834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux {2,S} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux r0 {2,S} +9 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux r0 {2,S} +9 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {8,B} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r1 {1,[S,D,T,B,Q]} +8 C u0 {2,B} +""", + kinetics = None, +) + +entry( + index = 1843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r1 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 1847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 1848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r1 {2,[S,D,T,B,Q]} {10,B} +10 C ux r1 {9,B} +11 C ux {2,[S,D,T,B,Q]} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {14,[S,D,T,B,Q]} +9 C ux r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {7,[S,D,T,B,Q]} +14 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {13,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,[S,D,T,B,Q]} +12 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,T} +8 C ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 1898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,S} +10 C u0 r0 {7,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 1903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +9 C ux r0 {2,D} +10 C u0 r0 {7,[S,D,T,B,Q]} +11 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +9 C u0 r0 {7,[S,D,T,B,Q]} +10 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C ux {7,D} +13 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {9,S} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} {13,D} +9 C ux r1 {2,S} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +11 C u0 r0 {2,S} +12 C ux {7,D} +13 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {2,S} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {2,S} +12 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +12 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} {12,D} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} {12,D} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux {1,[S,D,T,B,Q]} {12,D} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 {9,B} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r1 {2,S} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 {1,S} {14,D} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {7,D} +14 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {7,D} +14 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} {14,D} +9 C u0 r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux r0 {9,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {7,D} +14 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {2,S} {12,D} +12 C u0 {11,D} +13 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {13,T} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {2,S} {12,D} +12 C u0 {11,D} +13 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {13,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +13 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +12 C u0 r0 {7,[S,D,T,B,Q]} +13 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,D} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 1970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,B} +5 C ux r1 {4,B} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,T} +5 C ux r0 {4,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {12,T} +8 C ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 1977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {9,S} {11,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 1983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 1991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 {9,D} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 1994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,D} +10 C ux {9,D} +""", + kinetics = None, +) + +entry( + index = 1996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 1997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 1998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 1999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 {9,T} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} {10,T} +10 C u0 r0 {9,T} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 2008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux r0 {2,[S,D,T,B,Q]} {10,T} +10 C ux {9,T} +""", + kinetics = None, +) + +entry( + index = 2009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} {12,D} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} {12,D} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +12 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {1,S} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {2,S} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} {11,D} +9 C u0 {2,S} +10 C ux {7,D} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,S} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,S} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} +9 C u0 {2,S} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 {1,S} +9 C u0 {2,S} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,S} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {1,S} +9 C u0 {2,D} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} {11,D} +9 C u0 {2,D} +10 C ux {7,D} +11 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,D} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} {11,D} +9 C u0 {2,D} +10 C ux {7,D} +11 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 {1,S} +9 C u0 {2,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 {1,S} +9 C u0 {2,D} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} {9,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {1,S} +9 C u0 r0 {2,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {9,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {1,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} {10,D} +9 C ux {7,D} +10 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} {10,D} +9 C ux {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {1,[S,D,T,B,Q]} {10,D} +9 C ux {7,D} +10 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {1,S} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {1,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} {8,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 {1,S} +9 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} {8,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {1,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +""", + kinetics = None, +) + +entry( + index = 2067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {12,[S,D,T,B,Q]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux r0 {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {12,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux r0 {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {12,[S,T,Q,B]} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,D} +8 C ux {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,D} +8 C ux {2,D} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,T,Q,B]} +8 C ux {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {9,[S,T,Q,B]} +8 C ux {2,D} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2112, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2113, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {7,D} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2114, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2115, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2116, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2117, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,S} {8,[S,T,Q,B]} +8 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2118, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2119, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 S u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2120, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 C ux r0 {3,[S,D,T,B,Q]} {5,D} +5 C ux r0 {4,D} +6 C ux {3,D} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2121, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2122, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2123, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2124, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2125, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2126, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2127, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,D} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2128, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,D} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2129, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,D} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2130, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,T,Q,B]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2131, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,T,Q,B]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2132, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 C ux r0 {1,S} {11,[S,T,Q,B]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2133, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2134, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2135, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2136, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2137, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2138, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2139, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2140, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2141, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2142, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2143, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2144, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2145, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2146, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2147, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2148, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2149, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2150, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,D} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2151, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 {10,D} +12 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2152, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2153, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,T,Q,B]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2154, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2155, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2156, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2157, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2158, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2159, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2160, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2161, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2162, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2163, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2164, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2165, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2166, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2167, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2168, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2169, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2170, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {11,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2171, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2172, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2173, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2174, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2175, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2176, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2177, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2178, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2179, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2180, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2181, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2182, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2183, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2184, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2185, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2186, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2187, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2188, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2189, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2190, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2191, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,T} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2192, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2193, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2194, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2195, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2196, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2197, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2198, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2199, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2200, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2201, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2202, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2203, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2204, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2205, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2206, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} {10,[S,T,Q,B]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2207, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2208, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2209, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {2,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2210, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,[S,D,T,B,Q]} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2211, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,S} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2212, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,D} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 {2,[S,D,T,B,Q]} +9 C u0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 {2,S} +9 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,S} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 {2,D} +9 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,D} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,T} +8 C u0 r0 {2,D} +9 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} +8 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {7,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {7,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {7,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 2249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C u0 {2,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C u0 {2,S} {9,D} +9 C ux {8,D} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C u0 r0 {2,S} {9,D} +9 C ux {8,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,D} +9 C ux {8,D} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,D} +8 C u0 r0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {10,[S,T,Q,B]} +8 C u0 r0 {2,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +10 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,D} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {10,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +10 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,D} +8 C ux {2,[S,D,T,B,Q]} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +8 C ux {2,[S,D,T,B,Q]} +9 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,D} +8 C u0 r0 {2,S} +9 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 r0 {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {8,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {9,[S,T,Q,B]} +8 C u0 r0 {2,S} +9 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r1 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,S} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 {4,B} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 {4,T} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} {6,[S,D,T,B,Q]} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r1 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux r0 {3,[S,D,T,B,Q]} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {3,S} +7 R!H ux r0 {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 R!H ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,S} +7 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,S} +4 C ux {3,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +6 C ux {3,S} +7 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {3,S} +7 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {6,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {3,S} +7 C u0 r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,D} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {3,D} +7 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +6 C u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,T,B]} +5 R!H ux {4,[S,T,B]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,T,B]} +5 R!H u0 {4,[S,T,B]} +6 R!H u0 {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 R!H u0 {1,D} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,T,B]} {7,[S,D,T,B,Q]} +5 R!H u0 {4,[S,T,B]} +6 R!H u0 {3,[S,D,T,B,Q]} +7 R!H u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_2R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,T,B]} {7,[S,D,T,B,Q]} +5 R!H u0 {4,[S,T,B]} +6 R!H u0 r0 {3,[S,D,T,B,Q]} +7 R!H u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_N-2R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 O u0 {1,D} +3 *3 C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 {3,[S,D,T,B,Q]} {5,[S,T,B]} {7,[S,D,T,B,Q]} +5 R!H u0 {4,[S,T,B]} +6 R!H u0 r0 {3,[S,D,T,B,Q]} +7 R!H u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r1 {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} {6,S} +4 C ux r0 {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} +6 C ux {3,S} +""", + kinetics = None, +) + +entry( + index = 2391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 2424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} {9,[S,T,Q,B]} +9 C ux {8,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} {9,T} +9 C u0 r0 {8,T} +""", + kinetics = None, +) + +entry( + index = 2429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {8,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} {7,T} +7 C u0 {6,T} +8 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {8,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +6 C u0 {2,S} {7,T} +7 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +8 C u0 r0 {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +7 C u0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,T} {7,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +7 C u0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} {7,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 2466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux {1,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +6 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 r0 {4,[B,T]} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 2475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} {6,B} +6 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 2477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[S,T,B]} +5 C ux {4,[S,T,B]} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux r0 {3,D} {5,[S,D,T,B,Q]} +5 C ux r1 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 2481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,D} +5 C u0 r0 {4,D} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {5,D} +5 C u0 r0 {4,D} {6,S} +6 C u0 r0 {5,S} +""", + kinetics = None, +) + +entry( + index = 2484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {5,D} +5 C u0 r0 {4,D} {6,[B,D,T,Q]} +6 C u0 r0 {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 2485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {12,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +12 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,S} {8,B} +7 C ux r1 {2,S} {10,B} +8 C u0 {6,B} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 {7,B} +11 C u0 {1,S} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,S} {8,B} +7 C ux r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} {12,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,S} {8,B} +7 C ux r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +12 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,B} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r1 {2,S} {10,B} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2512, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux r1 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2513, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2514, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2515, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2516, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2517, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {13,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,B} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 r0 {2,S} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +13 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2518, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {13,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {10,D} +8 C ux {6,[S,D,T,B,Q]} {9,B} +9 C u0 {8,B} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 {11,D} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2519, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} +10 C ux r0 {7,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2520, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {13,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} +10 C ux r0 {7,D} +11 C ux {2,[S,D,T,B,Q]} {12,D} +12 C u0 r0 {11,D} +13 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2521, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 C ux {11,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2522, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,D} +11 C u0 {2,S} {12,D} +12 C u0 {11,D} +""", + kinetics = None, +) + +entry( + index = 2523, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 2524, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} {12,D} +12 C u0 r0 {11,D} +""", + kinetics = None, +) + +entry( + index = 2525, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2526, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2527, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2528, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +12 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2529, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {12,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 {2,S} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2530, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {12,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,D} +11 C u0 {2,S} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2531, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2532, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2533, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {12,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,T} +11 C u0 {2,S} +12 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2534, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2535, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {12,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {2,S} +12 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2536, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2537, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2538, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2539, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2540, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2541, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2542, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2543, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2544, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2545, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2546, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2547, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2548, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2549, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +11 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2550, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2551, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,D} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2552, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2553, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2554, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {11,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,T} +11 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2555, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2556, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {11,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +11 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 2557, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} +10 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2558, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,D} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2559, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} {10,T} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2560, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {10,T} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2576, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2577, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2578, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2579, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2580, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2581, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2582, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2583, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2584, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2585, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2586, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,S} {8,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} {10,B} +10 C ux r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 2587, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,D} +8 C u0 {6,B} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C u0 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2588, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,D} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2589, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,D} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C u0 r1 {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2590, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2591, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2592, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {11,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} +8 C u0 r1 {6,B} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,B} +10 C u0 r1 {9,B} +11 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2593, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,B} +9 C u0 {8,B} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2594, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2595, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {11,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,B} +9 C u0 r1 {8,B} {10,[S,D,T,B,Q]} +10 C ux r1 {9,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2596, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2597, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2598, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} {8,B} +7 C u0 {2,[S,B]} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} {10,[S,D,T,B,Q]} +10 C u0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {2,[S,B]} +8 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 {2,S} +8 C u0 {6,B} {9,B} +9 C u0 {8,B} {10,B} +10 C u0 {9,B} +""", + kinetics = None, +) + +entry( + index = 2601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} {10,B} +10 C u0 r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 2602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,S} {8,B} +7 C u0 r0 {2,S} +8 C u0 r1 {6,B} {9,B} +9 C u0 r1 {8,B} {10,B} +10 C u0 r1 {9,B} +""", + kinetics = None, +) + +entry( + index = 2603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r1 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 2609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +8 C ux r1 {2,S} {9,[S,D,T,B,Q]} +9 C u0 r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} {12,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} {12,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} {12,D} +8 C u0 r1 {2,[S,D,T,B,Q]} {9,B} +9 C ux r1 {8,B} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {2,S} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {2,S} +11 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} {11,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} {11,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} {11,D} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 {8,B} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r1 {2,S} {9,B} +9 C u0 r1 {8,B} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r1 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux r1 {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +8 C u0 r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux r0 {8,D} +10 C ux {2,[S,D,T,B,Q]} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,[S,D,T,B,Q]} +13 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {12,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 {1,S} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 {1,S} {13,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +13 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} {13,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} {7,S} +2 *2 C u0 {1,[B,D]} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} {13,D} +8 C ux r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +12 C ux {6,D} +13 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {2,S} {11,D} +11 C u0 {10,D} +12 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {2,S} {11,D} +11 C u0 {10,D} +12 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {12,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} {11,D} +11 C u0 r0 {10,D} +12 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 C ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 {1,S} {12,D} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C ux {6,D} +12 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} {12,D} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C ux {6,D} +12 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {11,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C u0 {8,[S,D,T,B,Q]} +10 C u0 {2,S} +11 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {11,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C u0 r0 {6,[S,D,T,B,Q]} +12 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {2,[S,D,T,B,Q]} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {8,S} {10,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,D} +9 C ux {8,D} +""", + kinetics = None, +) + +entry( + index = 2742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 {8,T} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} {9,T} +9 C u0 r0 {8,T} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux r0 {2,[S,D,T,B,Q]} {9,T} +9 C ux {8,T} +""", + kinetics = None, +) + +entry( + index = 2755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,[S,D,T,B,Q]} +11 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +11 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux {1,[S,D,T,B,Q]} {11,D} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +11 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {1,S} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 r0 {6,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +8 C u0 {2,D} +9 C u0 r0 {6,[S,D,T,B,Q]} +10 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux {2,S} +9 C ux {6,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,S} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,S} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 {1,S} +8 C u0 {2,S} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 {1,S} +8 C u0 {2,S} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,S} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux {2,D} +9 C ux {6,D} +10 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,D} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux {1,[S,D,T,B,Q]} {10,D} +8 C ux r0 {2,D} +9 C ux {6,D} +10 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 {1,S} +8 C u0 {2,D} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 {1,S} +8 C u0 {2,D} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} {8,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {1,S} +8 C u0 r0 {2,D} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {8,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 2812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,S} +5 C u0 {4,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,S} {8,[S,D,T,B,Q]} +5 C u0 r0 {4,S} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +8 C u0 r0 {6,[S,D,T,B,Q]} +9 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {8,T} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 C ux {1,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} {9,D} +8 C ux {6,D} +9 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} {9,D} +8 C ux {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {8,D} +7 C ux {1,[S,D,T,B,Q]} {9,D} +8 C ux {6,D} +9 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,D} +7 C u0 {1,S} +8 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {1,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} {7,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,T} +7 C u0 {1,S} +8 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} {7,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {1,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 {7,B} +""", + kinetics = None, +) + +entry( + index = 2866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +""", + kinetics = None, +) + +entry( + index = 2868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 {9,D} +11 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,D} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +11 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} {11,T} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +11 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,D} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {11,T} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 {7,D} +9 C u0 {2,S} {10,D} +10 C u0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +""", + kinetics = None, +) + +entry( + index = 2886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,D} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {10,T} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {10,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,D} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {9,T} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} {9,T} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +""", + kinetics = None, +) + +entry( + index = 2944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +""", + kinetics = None, +) + +entry( + index = 2945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 2949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 2952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {9,T} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,S} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 {2,[S,D,T,B,Q]} +8 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 {2,[S,D,T,B,Q]} +8 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {2,S} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,D} +7 C u0 r0 {2,D} +8 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 2974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 {2,[S,D,T,B,Q]} +8 C u0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {2,S} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {8,T} +7 C u0 r0 {2,D} +8 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 2977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,S} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,S} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,S} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,D} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,D} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,D} +7 C ux {2,D} +8 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 2985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,S} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,S} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,S} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,D} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,D} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} {8,T} +7 C ux {2,D} +8 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 2992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} +7 C u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 2994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 2995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 2996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 2999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 C ux r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,D} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {6,D} +2 *2 C u0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux r0 {1,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,D} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,D} +5 C ux r0 {4,D} +6 C ux r0 {1,S} {7,S} +7 C u0 r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 3021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,[B,D,T,Q]} +7 C ux {6,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {1,S} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {6,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} {6,S} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {6,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {6,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C", + group = +""" +1 *1 C u0 {2,[B,D]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,D]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +6 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 3041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C u0 r1 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} +7 C u0 {5,S} +""", + kinetics = None, +) + +entry( + index = 3045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 {8,S} +""", + kinetics = None, +) + +entry( + index = 3047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 {8,S} +10 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +7 C u0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 {8,S} +10 C ux {6,[S,D,T,B,Q]} {11,S} +11 C u0 {10,S} +""", + kinetics = None, +) + +entry( + index = 3049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {7,S} +6 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +7 C u0 r0 {5,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} {9,S} +9 C u0 r0 {8,S} {12,[S,D,T,B,Q]} +10 C ux {6,[S,D,T,B,Q]} {11,S} +11 C u0 r0 {10,S} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} {7,[S,D,T,B,Q]} +5 C ux {4,S} +6 C ux r0 {2,[S,D,T,B,Q]} +7 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 3053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} +""", + kinetics = None, +) + +entry( + index = 3054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 {7,S} +""", + kinetics = None, +) + +entry( + index = 3056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 {7,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 {7,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,S} +10 C u0 {9,S} +""", + kinetics = None, +) + +entry( + index = 3058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} {6,S} +6 C u0 r0 {5,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {8,S} +8 C u0 r0 {7,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} {10,S} +10 C u0 r0 {9,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->C", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 O u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,S} +5 C ux {4,S} +""", + kinetics = None, +) + +entry( + index = 3060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 R!H u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,D} +5 C ux {4,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +""", + kinetics = None, +) + +entry( + index = 3071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 3072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +""", + kinetics = None, +) + +entry( + index = 3073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,S} +7 C ux r0 {6,S} +""", + kinetics = None, +) + +entry( + index = 3075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C ux r0 {2,S} {7,D} +7 C u0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux r0 {6,[B,D,T]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux r0 {6,[B,D,T]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {2,S} {7,[B,D,T]} +7 C u0 {6,[B,D,T]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 C u0 r0 {2,S} {7,[B,D,T]} +7 C u0 {6,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +""", + kinetics = None, +) + +entry( + index = 3095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[B,D,T]} +7 C ux {6,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,D} +5 C u0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +6 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r1 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux r0 {3,S} {5,[B,T]} +5 C ux {4,[B,T]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3112, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3113, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3114, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,[B,T]} +5 C u0 {4,[B,T]} +6 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3115, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,T} +5 C u0 r0 {4,T} +6 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3116, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,D,T]} +5 C u0 {4,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3117, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,T} +5 C u0 {4,T} +""", + kinetics = None, +) + +entry( + index = 3118, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} {5,[B,D]} +5 C u0 {4,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3119, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r1 {3,S} {5,B} +5 C u0 r1 {4,B} +""", + kinetics = None, +) + +entry( + index = 3120, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 3121, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->C", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 O u0 {1,[B,D]} +3 *3 R u[1,2,3,4] r0 {4,S} +4 C ux {3,S} {5,[B,D,T]} +5 C ux {4,[B,D,T]} +""", + kinetics = None, +) + +entry( + index = 3122, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3123, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux r0 {3,D} {5,[S,D,T,B,Q]} +5 C ux r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3124, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[B,D]} +2 *2 C u0 {1,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 3125, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3126, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3127, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3128, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3129, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3130, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3131, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3132, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C ux r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 3133, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r1 {2,D} {5,S} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C ux r1 {1,S} {6,S} +6 C u0 r1 {5,S} +""", + kinetics = None, +) + +entry( + index = 3134, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + group = +""" +1 *1 C u0 r1 {2,D} {5,S} +2 *2 C u0 r1 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C ux r1 {1,S} {6,[B,D,T,Q]} +6 C u0 r1 {5,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 3135, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3136, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3137, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3138, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3139, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3140, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3141, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3142, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3143, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3144, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3145, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3146, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3147, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3148, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3149, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3150, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3151, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3152, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3153, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3154, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3155, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3156, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3157, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3158, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3159, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3160, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3161, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3162, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3163, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3164, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3165, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3166, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,S} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3167, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3168, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3169, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3170, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3171, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3172, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3173, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3174, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3175, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3176, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3177, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3178, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3179, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3180, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3181, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3182, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3183, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3184, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r1 {1,S} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3185, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 {2,S} +7 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3186, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r1 {1,S} +6 C u0 {2,D} +7 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3187, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3188, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 3189, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3190, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3191, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3192, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3193, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3194, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3195, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3196, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3197, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3198, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3199, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3200, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C ux r1 {2,S} {8,[S,D,T,B,Q]} +8 C u0 r1 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3201, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3202, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3203, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3204, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3205, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3206, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3207, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3208, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3209, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3210, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3211, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3212, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3213, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3214, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3215, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3216, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3217, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3218, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3219, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3220, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3221, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {11,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +7 C u0 r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux r0 {7,D} +9 C ux {2,[S,D,T,B,Q]} {10,D} +10 C u0 r0 {9,D} +11 C ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,[S,D,T,B,Q]} +13 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3222, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3223, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {11,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {12,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3224, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3225, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3226, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3227, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3228, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3229, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3230, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 {1,S} {12,D} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C ux {5,D} +12 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3231, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3232, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} {12,D} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3233, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3234, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3235, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3236, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {11,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3237, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3238, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} {10,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3239, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3240, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {10,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3241, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3242, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3243, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3244, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3245, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3246, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3247, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3248, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3249, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3250, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3251, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3252, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3253, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3254, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3255, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3256, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3257, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3258, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3259, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3260, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3261, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3262, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3263, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3264, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3265, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3266, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3267, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3268, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3269, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 3270, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3271, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3272, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3273, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3274, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3275, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3276, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3277, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3278, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3279, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3280, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3281, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3282, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3283, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3284, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3285, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3286, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3287, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 {2,S} +8 C u0 r0 {3,S} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3288, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3289, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3290, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3291, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3292, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,D} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 {2,D} +8 C u0 r0 {3,S} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3293, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3294, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3295, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3296, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3297, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3298, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3299, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3300, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3301, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3302, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3303, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3304, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {7,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3305, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3306, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3307, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3308, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3309, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3310, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3311, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3312, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3313, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3314, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3315, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3316, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3317, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3318, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3319, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {10,[S,D,T,B,Q]} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3320, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {10,D} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3321, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {10,[S,T,Q,B]} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3322, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {2,S} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3323, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3324, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3325, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3326, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3327, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3328, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3329, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3330, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3331, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3332, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3333, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3334, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3335, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3336, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3337, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} {11,D} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux r0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3338, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,[S,D,T,B,Q]} {11,[S,T,Q,B]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux r0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 C ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3339, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3340, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3341, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3342, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3343, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3344, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3345, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3346, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3347, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3348, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3349, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,D} {9,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3350, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3351, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3352, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3353, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3354, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3355, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3356, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3357, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3358, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3359, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3360, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3361, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3362, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3363, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3364, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3365, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3366, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3367, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3368, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3369, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3370, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3371, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3372, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3373, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3374, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3375, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3376, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3377, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3378, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3379, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3380, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3381, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3382, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3383, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {9,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3384, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {9,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3385, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} {9,[S,T,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3386, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3387, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3388, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3389, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3390, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3391, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3392, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3393, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3394, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3395, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3396, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,D} {7,S} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3397, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,S} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3398, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3399, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3400, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3401, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,D} +6 C ux {2,S} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3402, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,D} +6 C ux {2,D} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3403, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3404, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,S} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3405, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,D} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3406, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3407, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,S} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3408, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3409, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3410, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3411, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r0 {1,D} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3412, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3413, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3414, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 {3,D} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3415, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {7,D} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3416, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {7,[S,T,Q,B]} +6 C ux {3,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3417, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3418, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3419, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3420, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3421, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,D} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3422, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3423, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3424, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3425, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r1 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3426, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {2,S} {6,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3427, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux r1 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux r1 {5,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3428, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3429, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3430, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} {8,D} +8 C u0 {7,D} +""", + kinetics = None, +) + +entry( + index = 3431, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux r0 {5,D} +7 C ux {2,[S,D,T,B,Q]} {8,D} +8 C u0 r0 {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3432, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 {3,D} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +7 C u0 {2,S} +8 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3433, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {2,S} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3434, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 {4,D} {8,S} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {2,S} +8 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3435, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3436, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3437, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {2,S} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3438, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3439, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 r0 {2,S} {6,T} +6 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3440, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3441, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3442, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3443, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,D} {6,S} +4 C u0 {3,D} +5 R!H ux {2,[S,D,T,B,Q]} +6 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3444, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,D} {6,S} +4 C u0 r0 {3,D} +5 C u0 {2,S} +6 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3445, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u1 r0 {4,D} {6,S} +4 C u0 r0 {3,D} +5 R!H ux {2,D} +6 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3446, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-2C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3447, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-2C", + group = +""" +1 *1 R!H u0 {2,D} +2 *2 C u0 {1,D} {5,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3448, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3449, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 O u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,D} +4 R!H ux r0 {3,D} +""", + kinetics = None, +) + +entry( + index = 3450, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +""", + kinetics = None, +) + +entry( + index = 3451, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3452, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3453, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3454, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3455, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3456, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +7 C u0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3457, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3458, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 {5,D} +7 C u0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3459, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3460, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3461, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3462, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3463, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3464, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 {5,T} +7 C u0 {1,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3465, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 {5,T} +7 C u0 {1,S} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3466, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3467, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[B,T]} {7,S} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 {5,T} +7 C u0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3468, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,[B,T]} {7,S} +2 *2 C u0 r0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {9,[S,D,T,B,Q]} +4 C ux r0 {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {1,S} {8,[S,T,Q,B]} +8 C ux {7,[S,T,Q,B]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3469, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {8,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 C ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3470, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3471, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3472, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {2,S} +6 C u0 {1,S} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3473, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {2,S} +6 C u0 {1,S} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3474, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} +6 C u0 r0 {1,S} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3475, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {6,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {2,S} +6 C u0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3476, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {6,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,D} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {2,S} +6 C u0 r0 {1,S} {7,[S,T,Q,B]} +7 C ux {6,[S,T,Q,B]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3477, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {7,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3478, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {2,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3479, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[B,T]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3480, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {1,S} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3481, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {1,S} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3482, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,D} +6 C ux {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3483, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,D} +4 C u0 {3,D} +5 C u0 {1,S} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3484, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,D} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,D} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C ux {5,[S,T,Q,B]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3485, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} {6,[S,D,T,B,Q]} +4 C ux {3,D} +5 C ux {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3486, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R", + group = +""" +1 *1 C u0 {2,[B,T]} +2 *2 C u0 {1,[B,T]} +3 *3 C u[1,2,3,4] r0 {4,D} {5,[S,D,T,B,Q]} +4 C ux {3,D} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3487, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 R u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3488, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 3489, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3490, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3491, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3492, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3493, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3494, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3495, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,S} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C ux {3,S} +5 C ux r1 {1,S} {8,B} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,B} +8 C u0 {5,B} +9 C ux {7,B} +10 C u0 {1,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3496, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,S} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {12,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux r1 {1,S} {8,B} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,B} +8 C u0 {5,B} +9 C ux {7,B} +10 C u0 {1,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3497, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,S} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {12,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux r1 {1,S} {8,B} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,B} +8 C u0 r1 {5,B} +9 C ux r1 {7,B} +10 C u0 {1,[S,D,T,B,Q]} +11 C ux {2,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3498, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {5,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3499, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3500, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3501, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {5,[S,D,T,B,Q]} +9 C ux r1 {7,[S,D,T,B,Q]} +10 C ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3502, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +8 C ux r1 {5,[S,D,T,B,Q]} +9 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3503, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +""", + kinetics = None, +) + +entry( + index = 3504, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3505, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +10 C ux {2,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3506, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {10,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} {9,B} +8 C u0 r1 {5,B} +9 C u0 r1 {7,B} +10 C ux {2,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3507, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 {2,S} {7,B} +7 C u0 {6,B} {9,B} +8 C u0 {5,B} +9 C u0 {7,B} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3508, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} {8,B} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} {9,B} +8 C u0 r1 {5,B} +9 C u0 r1 {7,B} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3509, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3510, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 3511, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3512, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3513, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,D} +7 C ux r0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {1,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3514, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,S} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {2,S} {9,D} +9 C u0 {8,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3515, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3516, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3517, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3518, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3519, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3520, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 R!H ux {1,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3521, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3522, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3523, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3524, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3525, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3526, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3527, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3528, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3529, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3530, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3531, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3532, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3533, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3534, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3535, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3536, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3537, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3538, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3539, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3540, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3541, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3542, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3543, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3544, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3545, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[B,D]} +7 C u0 {6,[B,D]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3546, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3547, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3548, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3549, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3550, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3551, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3552, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3553, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C u0 {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 3554, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C u0 {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 3555, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 C u0 {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C u0 {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 3556, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3557, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3558, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3559, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3560, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3561, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3562, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3563, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3564, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3565, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3566, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3567, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3568, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3569, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3570, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3571, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3572, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3573, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3574, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3575, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3576, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r1 {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3577, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3578, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[B,D]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r1 {1,S} +6 C ux r0 {2,[B,D]} +""", + kinetics = None, +) + +entry( + index = 3579, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3580, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3581, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r1 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3582, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3583, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r1 {1,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3584, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3585, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3586, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3587, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3588, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3589, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3590, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3591, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3592, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3593, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,[S,T]} +5 C u0 r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C u0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +7 C u0 r1 {2,[S,D,T,B,Q]} {8,B} +8 C ux r1 {7,B} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,[S,D,T,B,Q]} +13 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3594, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3595, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3596, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3597, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3598, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3599, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3600, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3601, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {2,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3602, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3603, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3604, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3605, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3606, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3607, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3608, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3609, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3610, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3611, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3612, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3613, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3614, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3615, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 C u0 r1 {2,S} {8,B} +8 C u0 r1 {7,B} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3616, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3617, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r1 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3618, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3619, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3620, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3621, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3622, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3623, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3624, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,S} +5 C ux r0 {1,S} {13,[S,D,T,B,Q]} +6 C ux r0 {1,S} {14,[S,D,T,B,Q]} +7 C ux r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C u0 r0 {5,[S,D,T,B,Q]} +14 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3625, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-13R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {13,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3626, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-13R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {13,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +13 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3627, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3628, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {11,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {13,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {3,S} +12 C u0 r0 {5,[S,D,T,B,Q]} +13 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3629, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3630, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {3,[S,D,T,B,Q]} +12 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3631, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3632, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {12,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} {10,D} +10 C u0 r0 {9,D} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3633, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3634, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 C ux {9,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3635, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3636, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3637, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3638, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} {13,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +13 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3639, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} {13,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +13 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3640, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {12,D} +6 C ux {1,[S,D,T,B,Q]} {13,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C ux {5,D} +13 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3641, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {12,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3642, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3643, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3644, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {12,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3645, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3646, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {12,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +12 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3647, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3648, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3649, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3650, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} {12,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3651, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} {12,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3652, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} {12,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3653, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {11,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3654, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3655, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3656, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {11,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {3,S} +11 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3657, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3658, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} {10,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {11,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {3,S} +11 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3659, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3660, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3661, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3662, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3663, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3664, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} {11,D} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {5,D} +11 C u0 r0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3665, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3666, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3667, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3668, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} {6,S} +2 *2 C u0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 {1,S} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C u0 {7,[S,D,T,B,Q]} +9 C u0 {2,S} +10 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3669, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,D} +8 C u0 r0 {7,D} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3670, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,S} {9,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {1,S} +7 C u0 r0 {2,S} {8,T} +8 C u0 r0 {7,T} +9 C u0 r0 {2,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3671, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3672, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3673, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3674, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3675, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3676, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3677, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3678, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3679, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3680, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3681, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3682, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3683, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3684, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3685, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3686, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3687, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3688, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3689, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3690, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3691, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3692, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3693, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3694, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3695, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +""", + kinetics = None, +) + +entry( + index = 3696, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3697, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3698, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3699, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,D} +8 C ux {7,D} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3700, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +""", + kinetics = None, +) + +entry( + index = 3701, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3702, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3703, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3704, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux r0 {2,[S,D,T,B,Q]} {8,T} +8 C ux {7,T} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3705, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3706, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3707, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3708, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3709, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C u0 r0 {5,[S,D,T,B,Q]} +12 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3710, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3711, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3712, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3713, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {3,S} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3714, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3715, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3716, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3717, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3718, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3719, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3720, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3721, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3722, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3723, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3724, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3725, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3726, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3727, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3728, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3729, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,[S,D,T,B,Q]} +11 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3730, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3731, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3732, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3733, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3734, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3735, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3736, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3737, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3738, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3739, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3740, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3741, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3742, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3743, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3744, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3745, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3746, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,S} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3747, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3748, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3749, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux r0 {2,D} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3750, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3751, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {7,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {2,D} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3752, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3753, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3754, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3755, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3756, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,[S,D,T,B,Q]} +10 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3757, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3758, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux {1,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3759, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3760, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +7 C u0 r0 {3,S} +8 C u0 r0 {5,[S,D,T,B,Q]} +9 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3761, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3762, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {3,[S,D,T,B,Q]} +8 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3763, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3764, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} {6,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +7 C u0 r0 {5,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3765, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,D} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3766, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {7,T} +6 C ux {1,[S,D,T,B,Q]} +7 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3767, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 O u0 {1,D} +3 *3 C u1 r0 {4,S} +4 F u0 {3,S} +5 R!H ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3768, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_5R!H-u1", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 F u0 r0 {3,S} +5 R!H u1 r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3769, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_N-5R!H-u1", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 F u0 r0 {3,S} +5 R!H u0 r0 {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3770, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3771, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3772, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3773, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3774, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3775, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3776, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3777, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3778, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3779, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3780, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,[S,D,T,B,Q]} {10,D} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3781, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,[S,D,T,B,Q]} {10,T} +6 C u0 r1 {2,[S,D,T,B,Q]} {7,B} +7 C ux r1 {6,B} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3782, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3783, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +10 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3784, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3785, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {2,S} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3786, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3787, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {2,S} +9 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3788, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3789, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3790, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3791, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3792, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3793, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3794, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3795, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3796, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r1 {2,S} {7,B} +7 C u0 {6,B} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3797, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3798, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C u0 r1 {2,S} {7,B} +7 C u0 r1 {6,B} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3799, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3800, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3801, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3802, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3803, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3804, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C ux r0 {1,S} {11,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,[S,D,T,B,Q]} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3805, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C ux r0 {1,S} {11,D} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3806, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C ux r0 {1,S} {11,T} +6 C ux r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +12 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3807, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3808, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {11,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {3,[S,D,T,B,Q]} +11 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3809, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {10,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3810, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 {6,D} +8 C u0 {2,S} {9,D} +9 C u0 {8,D} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3811, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3812, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,[S,T,Q,B]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} {9,D} +9 C u0 r0 {8,D} +10 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3813, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3814, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3815, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,[S,D,T,B,Q]} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3816, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3817, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3818, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,D} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3819, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3820, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3821, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {10,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +10 C u0 r0 {5,T} +11 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3822, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3823, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3824, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3825, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {3,S} +10 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3826, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3827, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {10,T} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {3,S} +10 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3828, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3829, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3830, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3831, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3832, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3833, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3834, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3835, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3836, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3837, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3838, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3839, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3840, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3841, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3842, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3843, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3844, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3845, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3846, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3847, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3848, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3849, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3850, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {9,T} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 C u0 r0 {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3851, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3852, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3853, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3854, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {3,S} +9 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3855, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {3,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3856, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {3,S} +9 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3857, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3858, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3859, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3860, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3861, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3862, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3863, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3864, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3865, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,D} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3866, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3867, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3868, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3869, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 3870, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 3871, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3872, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3873, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3874, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {9,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3875, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3876, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3877, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {9,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3878, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {9,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3879, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {9,T} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C ux {3,[S,D,T,B,Q]} +9 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3880, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3881, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3882, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3883, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3884, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3885, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3886, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3887, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3888, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,D} +6 C ux {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3889, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,D} +6 C ux {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3890, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3891, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,T} +6 C ux {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3892, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {8,T} +6 C ux {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3893, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3894, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3895, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,D} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3896, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 {2,[S,D,T,B,Q]} +7 C u0 {3,S} +8 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3897, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {2,S} +7 C u0 r0 {3,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3898, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} {7,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {8,T} +6 C u0 r0 {2,D} +7 C u0 r0 {3,S} +8 C u0 r0 {5,T} +""", + kinetics = None, +) + +entry( + index = 3899, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3900, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3901, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} {6,D} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3902, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,S} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3903, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,D} +7 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3904, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3905, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3906, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {2,S} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3907, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {2,D} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3908, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3909, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,S} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3910, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,T,Q,B]} +6 C ux {2,D} +7 C ux {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3911, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 3912, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 3913, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3914, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3915, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3916, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3917, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,D} +6 C u0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3918, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,D} +6 C u0 r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3919, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3920, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3921, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3922, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3923, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3924, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,T} +6 R!H ux {3,[S,D,T,B,Q]} +7 C ux {5,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3925, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,D} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 3926, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} {7,T} +6 C ux {3,[S,D,T,B,Q]} +7 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 3927, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3928, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3929, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3930, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 r0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3931, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3932, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,D} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3933, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux r0 {1,D} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3934, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3935, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 R!H ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3936, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 O u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3937, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 [C,S] ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3938, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 [C,S] ux r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3939, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 [C,S] ux r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3940, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_5CS->C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 S u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C ux r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3941, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_N-5CS->C", + group = +""" +1 *1 C u0 r0 {2,D} {5,S} +2 *2 S u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 S ux r0 {1,S} +6 C ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3942, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_N-6R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {6,S} +4 C ux {3,[S,T]} +5 [C,S] u0 r0 {1,S} +6 [N,P,F,I,Br,Cl,O,Si,S] u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 3943, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H", + group = +""" +1 *1 C u0 r0 {2,D} {5,D} +2 *2 S u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 R!H ux r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 3944, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3945, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3946, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3947, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +""", + kinetics = None, +) + +entry( + index = 3948, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3949, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3950, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3951, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3952, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3953, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 {6,D} +8 C u0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3954, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3955, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,S} {7,D} +7 C u0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3956, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3957, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,Q,B]} +7 C u0 {6,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3958, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3959, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3960, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3961, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,D} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3962, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,[S,T,Q,B]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3963, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 {6,T} +8 C u0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3964, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {9,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C u0 r0 {1,S} {8,T} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {5,T} +9 R!H ux {3,[S,D,T,B,Q]} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3965, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,S} {7,T} +7 C u0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3966, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3967, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +6 C u0 {2,S} +7 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3968, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 {2,S} +7 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3969, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 {2,S} +7 C u0 {5,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3970, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,D} +6 C u0 r0 {2,S} +7 C u0 r0 {5,D} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3971, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,[S,T,Q,B]} +6 C u0 {2,S} +7 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3972, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {7,T} +6 C u0 {2,S} +7 C u0 {5,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3973, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {8,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {7,T} +6 C u0 r0 {2,S} +7 C u0 r0 {5,T} +8 R!H ux {3,[S,D,T,B,Q]} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3974, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 C u0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3975, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3976, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3977, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 3978, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3979, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,D} +6 C u0 r0 {5,D} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3980, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,[S,T,Q,B]} +6 C u0 {5,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 3981, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} {6,T} +6 C u0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3982, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} {6,T} +6 C u0 r0 {5,T} +7 R!H ux {3,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3983, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} {5,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} +4 C u0 {3,S} +5 C u0 r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3984, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 C u0 r0 {1,S} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3985, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 F ux {3,[S,T]} +5 F ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3986, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 F ux {3,[S,T]} +5 F u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3987, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 F ux {3,[S,T]} +5 F u0 r0 {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3988, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 r0 {2,T} {5,S} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} +4 F u0 r0 {3,S} +5 F ux r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 3989, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 R!H ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3990, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 R!H ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3991, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 R!H ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3992, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3993, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3994, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3995, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3996, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 3997, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {6,S} {8,S} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {2,S} {7,[S,D,T,B,Q]} +7 C u0 r1 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3998, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux r1 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 3999, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4000, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4001, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4002, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,D} +7 C u0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 {8,D} +""", + kinetics = None, +) + +entry( + index = 4003, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,S} {7,D} +7 C u0 {6,D} +8 C ux {2,[S,D,T,B,Q]} {9,D} +9 C u0 r0 {8,D} +10 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4004, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4005, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4006, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4007, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4008, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4009, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4010, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4011, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4012, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4013, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 C ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 4014, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4015, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4016, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux r0 {6,D} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4017, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 4018, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H_Ext-3C-R", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux r0 {6,T} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4019, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4020, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4021, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,S} {7,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 {2,S} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4022, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} {7,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} +7 C u0 r0 {2,S} +8 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4023, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 r0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4024, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4025, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C_Ext-3C-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {6,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 C ux r0 {2,D} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4026, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4027, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {6,S} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 C u0 {2,S} +7 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4028, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4029, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4030, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4031, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4032, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_N-4R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,S} {5,S} +4 F u0 r0 {3,S} +5 R!H u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4033, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C", + group = +""" +1 *1 S u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} +4 C u0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4034, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C_Ext-3C-R", + group = +""" +1 *1 S u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C u0 r0 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4035, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4036, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C_Ext-3C-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 S u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 C ux {3,[S,T]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4037, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S", + group = +""" +1 *1 S u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4038, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S_Ext-2R!H-R", + group = +""" +1 *1 S u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4039, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S", + group = +""" +1 *1 [N,C] u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4040, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C", + group = +""" +1 *1 [N,C] u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4041, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_2R!H->S", + group = +""" +1 *1 [N,C] u0 r0 {2,[D,T,B]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4042, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S", + group = +""" +1 *1 [N,C] u0 {2,[D,T,B]} +2 *2 [C,N,O] u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4043, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4044, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4045, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4046, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C ux r1 {2,S} {6,B} +6 C u0 {5,B} {7,B} +7 C ux {6,B} +""", + kinetics = None, +) + +entry( + index = 4047, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} {8,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C ux r1 {2,S} {6,B} +6 C u0 r1 {5,B} {7,B} +7 C ux r1 {6,B} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4048, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C u0 r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4049, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4050, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4051, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux r0 {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux r0 {5,[S,D,T,B,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4052, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4053, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4054, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 4055, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 4056, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C u0 {2,S} {6,[S,D,T,B,Q]} +6 C u0 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4057, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 {2,S} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4058, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 {2,S} {6,T} +6 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 4059, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4060, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4061, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4062, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 {3,S} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4063, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_Sp-5C-2CNO", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4064, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_N-Sp-5C-2CNO", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4065, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_N-5R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 C ux {3,S} +5 O ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4066, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_N-Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +5 R!H u0 {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4067, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_N-4R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 {4,S} +4 O u0 r0 {3,S} +5 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4068, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_1CN->N", + group = +""" +1 *1 N u0 {2,[D,T,B]} +2 *2 [C,N,O] u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4069, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [C,N,O] u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4070, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 [C,N,O] u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4071, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 C u1 r0 {4,S} +4 R!H u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4072, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_4R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4073, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_N-4R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 {4,S} +4 O u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4074, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_N-2CNO->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 [N,O] u0 {1,D} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4075, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 [C,N,O] u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4076, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_2CNO->C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4077, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_N-2CNO->C", + group = +""" +1 *1 C u0 {2,T} +2 *2 [N,O] u0 {1,T} +3 *3 C u[1,2,3,4] r0 {4,S} +4 R!H ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4078, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_N-Sp-4R!H-3C", + group = +""" +1 *1 [N,C] u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u1 r0 {4,T} +4 R!H u0 r0 {3,T} +""", + kinetics = None, +) + +entry( + index = 4079, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4080, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 O u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +""", + kinetics = None, +) + +entry( + index = 4081, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,S} +4 O ux {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4082, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 O u0 r0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,S} +4 O ux r0 {3,S} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4083, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 {4,[S,T]} +4 R!H ux {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4084, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 {4,[S,T]} +4 R!H u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4085, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,[S,T]} +4 S u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4086, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 S u0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4087, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_2CNS->C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4088, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_N-2CNS->C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} +2 *2 S u0 r0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,S} +4 S u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4089, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_N-1R!H->C", + group = +""" +1 *1 S u0 {2,D} +2 *2 [N,C,S] u0 {1,D} +3 *3 S u1 r0 {4,[S,T]} +4 S u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4090, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 [O,S] u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4091, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4092, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 O u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4093, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 O u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4094, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 O u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4095, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 O u1 r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4096, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {6,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,S} +3 *3 O u1 r0 {4,S} +4 O u0 {3,S} +5 C u0 {2,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4097, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 O u1 r0 {4,S} +4 O u0 r0 {3,S} +5 C u0 r0 {2,S} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4098, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4099, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4100, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4101, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,S} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +5 C u0 {1,[S,D,T,B,Q]} +6 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4102, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_4CO->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,S} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 C u0 {3,[S,T]} +5 C u0 r0 {1,[S,D,T,B,Q]} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4103, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_N-4CO->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} {6,S} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 C u0 r0 {1,[S,D,T,B,Q]} +6 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4104, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_4CO->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 C u0 {3,[S,T]} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4105, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_N-4CO->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4106, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_N-5R!H->C", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +5 [N,P,F,I,Br,Cl,O,Si,S] u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4107, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_4CO->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 C u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4108, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_N-4CO->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4109, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_N-Sp-2CNS=1R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 [C,O] u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4110, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 {4,[S,T]} +4 C u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4111, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 S u1 r0 {4,[S,T]} +4 C u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4112, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_2CNS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 S u1 r0 {4,[S,T]} +4 C u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4113, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_N-2CNS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 S u0 {1,[D,T,B]} +3 *3 S u1 r0 {4,[S,T]} +4 C u0 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4114, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_N-1R!H->C", + group = +""" +1 *1 S u0 r0 {2,D} +2 *2 [N,C,S] u0 r0 {1,D} +3 *3 S u[1,2,3,4] r0 {4,S} +4 C u0 r0 {3,S} +""", + kinetics = None, +) + +entry( + index = 4115, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u1 {3,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4116, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 O u1 r0 {4,[S,T]} +4 O u1 {3,[S,T]} +5 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4117, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {5,S} +3 *3 O u1 r0 {4,[S,T]} +4 O u1 {3,[S,T]} +5 C u0 r0 {2,S} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4118, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 O u[1,2,3,4] r0 {4,[S,T]} +4 O u1 {3,[S,T]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4119, + label = "Root_N-3R-inRing_3R->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4120, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4121, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4122, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4123, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4124, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4125, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,S} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C u0 {1,S} +6 C ux r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux {4,[S,D,T,B,Q]} {8,B} +8 C u0 {7,B} +9 C ux {6,B} +""", + kinetics = None, +) + +entry( + index = 4126, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,S} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C u0 r0 {1,S} +6 C ux r1 {2,[S,D,T,B,Q]} {9,B} +7 C ux r1 {4,[S,D,T,B,Q]} {8,B} +8 C u0 r1 {7,B} +9 C ux r1 {6,B} +10 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4127, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4128, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +7 C ux {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C ux {6,[S,D,T,B,Q]} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4129, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,S} {10,S} +3 *3 C u1 r0 +4 C ux r1 {1,S} {7,B} +5 C ux {1,[S,D,T,B,Q]} +6 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +7 C u0 r1 {4,B} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C u0 {6,[S,D,T,B,Q]} +10 C u0 r0 {2,S} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4130, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4131, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +10 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4132, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,D} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4133, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {9,T} +7 C ux r1 {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 C ux r1 {7,[S,D,T,B,Q]} +9 C ux {6,T} +""", + kinetics = None, +) + +entry( + index = 4134, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4135, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4136, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4137, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4138, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4139, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4140, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4141, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4142, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4143, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4144, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C u0 r0 {4,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4145, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4146, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {2,[S,D,T,B,Q]} +10 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4147, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4148, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4149, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C u0 r0 {4,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4150, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4151, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r1 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +9 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4152, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4153, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4154, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4155, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4156, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {10,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {11,[S,D,T,B,Q]} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 r0 {2,S} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C u0 r0 {4,[S,D,T,B,Q]} +11 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4157, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4158, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {10,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 C ux {8,[S,D,T,B,Q]} +10 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4159, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4160, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} {10,D} +6 C ux {2,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C ux {6,[S,D,T,B,Q]} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,D} +10 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4161, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} {10,D} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4162, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {1,[S,D,T,B,Q]} {10,D} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +9 C ux {4,D} +10 C u0 r0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4163, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,D} +5 C u0 {1,S} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4164, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,D} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4165, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,D} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4166, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} {5,S} +2 *2 C u0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,T} +5 C u0 {1,S} +6 C u0 {2,S} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 C u0 {2,S} +9 C u0 {4,T} +""", + kinetics = None, +) + +entry( + index = 4167, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,T} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,D} +7 C u0 r0 {6,D} +8 C u0 r0 {2,S} +9 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 4168, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {8,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {9,T} +5 C u0 r0 {1,S} +6 C u0 r0 {2,S} {7,T} +7 C u0 r0 {6,T} +8 C u0 r0 {2,S} +9 C u0 r0 {4,T} +""", + kinetics = None, +) + +entry( + index = 4169, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4170, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux r0 {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,T} +7 C ux {6,T} +8 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4171, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +""", + kinetics = None, +) + +entry( + index = 4172, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4173, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,D} +7 C ux r0 {6,D} +8 C u0 r0 {4,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4174, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4175, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,D} +7 C ux {6,D} +8 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4176, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 4177, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4178, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 C ux r0 {2,[S,D,T,B,Q]} {7,T} +7 C ux r0 {6,T} +8 C u0 r0 {4,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4179, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4180, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,[S,D,T,B,Q]} {7,[S,T,B]} +7 C ux {6,[S,T,B]} +8 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4181, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4182, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4183, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4184, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {9,[S,D,T,B,Q]} +6 C u0 {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C u0 r0 {4,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4185, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4186, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4187, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4188, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} {6,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 C u0 r0 {1,S} {8,[S,D,T,B,Q]} +6 C u0 r0 {2,S} +7 C u0 r0 {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4189, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4190, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,S} +7 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4191, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4192, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4193, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 C ux r0 {2,D} +7 C u0 r0 {4,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4194, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4195, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} {6,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,T} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {2,D} +7 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4196, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 F u0 {1,[S,D,T,B,Q]} +5 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4197, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_3C-u1", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 C u1 r0 +4 F u0 r0 {1,[S,D,T,B,Q]} +5 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4198, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_N-3C-u1", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 C u2 r0 +4 F u0 r0 {1,[S,D,T,B,Q]} +5 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4199, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4200, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_2R!H->O", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 O u0 {1,[D,T,B]} +3 *3 C u1 r0 +4 C u0 {1,[S,D,T,B,Q]} +5 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4201, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O", + group = +""" +1 *1 C u0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4202, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,D} {4,S} {5,S} +2 *2 [C,S] u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,S} +5 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 4203, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4204, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4205, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4206, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_4C-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 +4 C u0 r1 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C u0 {1,[S,D,T,B,Q]} +6 C ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4207, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,S} +5 C ux {1,S} +6 C u0 {4,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4208, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing_Ext-6R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,S} +5 C ux r0 {1,S} +6 C u0 r0 {4,S} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4209, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 C ux r0 {4,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4210, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Sp-6R!H=4C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,D} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4211, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_N-Sp-6R!H=4C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,[S,T,B]} +5 C ux {1,[S,D,T,B,Q]} +6 C ux r0 {4,[S,T,B]} +""", + kinetics = None, +) + +entry( + index = 4212, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_2CS->C", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} {5,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4213, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_N-2CS->C", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 S u0 {1,[D,T,B]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4214, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H", + group = +""" +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,B} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4215, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 r1 {2,B} {4,B} +2 *2 C u0 r1 {1,B} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C u0 r1 {1,B} +5 C ux r1 {2,S} {6,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4216, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,B} {5,B} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,B} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4217, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} {5,B} +3 *3 C u1 r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C u0 r1 {2,B} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4218, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r1 {2,B} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,B} {5,B} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux r1 {2,B} {6,B} +6 C ux r1 {5,B} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4219, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-6R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 r1 {2,B} {4,B} +2 *2 C u0 r1 {1,B} {5,B} +3 *3 C u1 r0 +4 C u0 r1 {1,B} {8,[S,D,T,B,Q]} +5 C u0 r1 {2,B} {6,[S,D,T,B,Q]} +6 C u0 r1 {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 C u0 {6,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4220, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 R!H u0 {1,[D,T]} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4221, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4222, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 C ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4223, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,B} +6 C ux {5,B} +""", + kinetics = None, +) + +entry( + index = 4224, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,B} +6 C ux {5,B} +""", + kinetics = None, +) + +entry( + index = 4225, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T]} {4,S} +2 *2 C u0 {1,[D,T]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,S} +5 C ux r1 {2,S} {6,B} +6 C u0 r1 {5,B} +""", + kinetics = None, +) + +entry( + index = 4226, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 r1 {1,[S,D,T,B,Q]} +5 C u0 {2,[S,D,T,B,Q]} {6,B} +6 C ux {5,B} +""", + kinetics = None, +) + +entry( + index = 4227, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 r1 {1,[S,D,T,B,Q]} +5 C u0 r1 {2,[S,D,T,B,Q]} {6,B} +6 C ux r1 {5,B} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4228, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T]} {4,S} +2 *2 C u0 {1,[D,T]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux {2,S} {6,B} +6 C u0 {5,B} +""", + kinetics = None, +) + +entry( + index = 4229, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,[D,T]} {4,S} +2 *2 C u0 {1,[D,T]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux {2,S} {6,B} +6 C u0 {5,B} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4230, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T]} {4,S} +2 *2 C u0 {1,[D,T]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {8,[S,D,T,B,Q]} +5 C ux {2,S} {6,B} +6 C u0 {5,B} +7 C ux {2,[S,D,T,B,Q]} +8 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4231, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,S} +2 *2 C u0 r0 {1,[D,T]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {8,D} +5 C ux r1 {2,S} {6,B} +6 C u0 r1 {5,B} +7 C ux {2,[S,D,T,B,Q]} +8 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4232, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,S} +2 *2 C u0 r0 {1,[D,T]} {5,S} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {8,[S,T,Q,B]} +5 C ux r1 {2,S} {6,B} +6 C u0 r1 {5,B} +7 C ux {2,[S,D,T,B,Q]} +8 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4233, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 C u0 {2,S} {6,B} +6 C u0 {5,B} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4234, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,D} +5 C u0 r1 {2,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4235, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,T,Q,B]} +5 C u0 r1 {2,S} {6,B} +6 C u0 r1 {5,B} +7 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4236, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4237, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_Int-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C u0 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4238, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4239, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing", + group = +""" +1 *1 C u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4240, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H", + group = +""" +1 *1 C u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {4,[S,D,T,B,Q]} {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4241, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_Sp-6R!H-=4R!H", + group = +""" +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 r1 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,B} +5 C u0 r1 {2,S} {6,[S,D,T,Q]} +6 C u0 r1 {4,B} {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4242, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H", + group = +""" +1 *1 C u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {4,[S,D,T,Q]} {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4243, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-5R!H-R", + group = +""" +1 *1 C u0 r1 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 r1 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} {6,[S,D,T,Q]} +5 C ux r1 {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} {7,[S,D,T,B,Q]} +6 C ux r1 {4,[S,D,T,Q]} {5,[S,D,T,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4244, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,[S,D,T,Q]} {7,[S,D,T,B,Q]} +5 C u0 {2,S} {6,[S,D,T,Q]} +6 C u0 {4,[S,D,T,Q]} {5,[S,D,T,Q]} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4245, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 r1 {2,D} {4,S} +2 *2 C u0 r1 {1,D} {5,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} {6,[S,D,T,Q]} {7,[S,D,T,B,Q]} +5 C u0 r1 {2,S} {6,[S,D,T,Q]} +6 C u0 r1 {4,[S,D,T,Q]} {5,[S,D,T,Q]} {8,[S,D,T,B,Q]} +7 C u0 {4,[S,D,T,B,Q]} +8 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4246, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4247, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4248, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u1 r0 +4 C u0 r1 {1,S} +5 C u0 {2,S} {6,[S,D,T,Q]} +6 C u0 {5,[S,D,T,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4249, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4250, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4251, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 4252, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 4253, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4254, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-5R!H-R", + group = +""" +1 *1 C u0 r0 {2,[D,T]} {4,S} +2 *2 C u0 r0 {1,[D,T]} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 C u0 r0 {2,S} {6,[S,D,T,Q]} {7,[S,D,T,B,Q]} +6 C u0 r0 {5,[S,D,T,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4255, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4256, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4257, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C u0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4258, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C u0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4259, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4260, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {9,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C u0 r0 {2,S} {8,[S,D,T,B,Q]} +8 C ux {7,[S,D,T,B,Q]} +9 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4261, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4262, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4263, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4264, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4265, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4266, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4267, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {8,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +8 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4268, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4269, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4270, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4271, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4272, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4273, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,D} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4274, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,[S,D,T,Q]} +6 C ux {5,[S,D,T,Q]} +7 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4275, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +7 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4276, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {7,[S,T,Q,B]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +7 C ux {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4277, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,D} +6 C ux {5,D} +""", + kinetics = None, +) + +entry( + index = 4278, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} {6,T} +6 C ux {5,T} +""", + kinetics = None, +) + +entry( + index = 4279, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 C u0 {2,S} {6,[S,D,T,Q]} +6 C u0 {5,[S,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4280, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 C u0 {2,S} {6,D} +6 C u0 {5,D} +""", + kinetics = None, +) + +entry( + index = 4281, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 C u0 {2,S} {6,D} +6 C u0 {5,D} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4282, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,D} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4283, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,T,Q,B]} +5 C u0 r0 {2,S} {6,D} +6 C u0 r0 {5,D} +7 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4284, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +5 C u0 {2,S} {6,T} +6 C u0 {5,T} +""", + kinetics = None, +) + +entry( + index = 4285, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,D,T,B,Q]} +5 C u0 {2,S} {6,T} +6 C u0 {5,T} +7 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4286, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,D} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4287, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,S} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {7,[S,T,Q,B]} +5 C u0 r0 {2,S} {6,T} +6 C u0 r0 {5,T} +7 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4288, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4289, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 r1 {1,S} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4290, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4291, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,D} +3 *3 C u[1,2,3,4] r0 +4 C ux r1 {1,[S,D,T,B,Q]} +5 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 4292, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4293, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4294, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4295, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4296, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,[S,D,T,B,Q]} +5 C ux {2,S} +6 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4297, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,[S,D,T,B,Q]} +5 C ux {2,S} +6 C ux {4,[S,D,T,B,Q]} +7 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4298, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,D} +5 C ux r0 {2,S} +6 C ux {4,D} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4299, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} {5,S} {7,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,T} +5 C ux r0 {2,S} +6 C ux {4,T} +7 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4300, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,D} +5 C ux {2,S} +6 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4301, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} {6,T} +5 C ux {2,S} +6 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4302, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,S} +5 C ux {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4303, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {4,D} +2 *2 C u0 {1,D} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,D} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4304, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H_Ext-2R!H-R", + group = +""" +1 *1 C u0 r0 {2,D} {4,D} +2 *2 C u0 r0 {1,D} {5,S} {6,[S,D,T,B,Q]} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,D} +5 C ux r0 {2,S} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4305, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} +5 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4306, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C ux {2,S} +6 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4307, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,D} +5 C ux r0 {2,S} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4308, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 r0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,T} {5,S} +3 *3 C u[1,2,3,4] r0 +4 C ux r0 {1,[S,D,T,B,Q]} {6,[S,T,Q,B]} +5 C ux r0 {2,S} +6 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4309, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,D} +3 *3 C u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} +5 C u0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4310, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,D} +3 *3 C u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 C u0 {2,D} +6 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4311, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,D} +3 *3 C u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {6,D} +5 C u0 {2,D} +6 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4312, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + group = +""" +1 *1 C u0 {2,[D,T]} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,[D,T]} {5,D} +3 *3 C u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {6,[S,T,Q,B]} +5 C u0 {2,D} +6 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4313, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 R!H u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4314, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 S u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4315, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_4R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 S u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4316, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_N-4R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 S u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 [O,S] u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4317, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,O] u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4318, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,O] u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4319, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 +4 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4320, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,O] u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4321, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4322, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4323, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 *1 C u0 {2,D} {4,S} +2 *2 C u0 {1,D} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 C u0 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4324, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4325, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,[S,D,T,B,Q]} {5,[S,T]} +5 C ux {4,[S,T]} +""", + kinetics = None, +) + +entry( + index = 4326, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4327, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_Sp-4R!H-1R!H", + group = +""" +1 *1 C u0 r0 {2,D} {4,S} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4328, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H", + group = +""" +1 *1 C u0 {2,D} {4,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4329, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_4R!H->C", + group = +""" +1 *1 C u0 {2,D} {4,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4330, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_N-4R!H->C", + group = +""" +1 *1 C u0 {2,D} {4,D} +2 *2 C u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 O u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 4331, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_N-2CO->C", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 O u0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4332, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_N-4R!H-u0", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 [C,O] u0 r0 {1,D} +3 *3 C u[1,2,3,4] r0 +4 R!H u1 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4333, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 +4 C u0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4334, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 +4 C u0 r1 {1,S} +""", + kinetics = None, +) + +entry( + index = 4335, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 +4 C u0 r0 {1,S} +""", + kinetics = None, +) + +entry( + index = 4336, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,[S,D,T,B,Q]} +5 C u0 {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4337, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,D} +5 C u0 r0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4338, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} {4,S} +2 *2 C u0 {1,T} +3 *3 C u1 r0 +4 C u0 r0 {1,S} {5,[S,T,Q,B]} +5 C u0 r0 {4,[S,T,Q,B]} +""", + kinetics = None, +) + +entry( + index = 4339, + label = "Root_N-3R-inRing_3R->C_3C-u1", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4340, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4341, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4342, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R", + group = +""" +1 *1 S u0 {2,D} +2 *2 C u0 {1,D} {4,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux {2,[S,D,T,B,Q]} {5,D} +5 C u0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4343, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R", + group = +""" +1 *1 S u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux {2,[S,D,T,B,Q]} {5,D} +5 C u0 r0 {4,D} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4344, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4345, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S", + group = +""" +1 *1 [N,C] u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4346, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S", + group = +""" +1 *1 [N,C] u0 r0 {2,[D,T,B]} +2 *2 S u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4347, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S", + group = +""" +1 *1 [N,C] u0 {2,[D,T,B]} +2 *2 [C,N,O] u0 {1,[D,T,B]} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4348, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4349, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 R!H ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4350, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_2CNO-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 r1 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 R!H ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4351, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 R!H ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4352, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4353, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 {2,S} {5,S} +5 R!H ux {4,S} +""", + kinetics = None, +) + +entry( + index = 4354, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,S} +5 C ux r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 4355, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,S} +5 O ux r0 {4,S} +""", + kinetics = None, +) + +entry( + index = 4356, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4357, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4358, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C u0 r1 {2,S} {5,B} +5 C ux {4,B} +""", + kinetics = None, +) + +entry( + index = 4359, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing_Ext-2CNO-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C u0 r1 {2,S} {5,B} +5 C ux r1 {4,B} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4360, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4361, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4362, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {6,S} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,[B,D,T,Q]} +5 C u0 {4,[B,D,T,Q]} +6 C u0 r0 {2,S} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4363, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,D} +5 C ux {4,D} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4364, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {6,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,T} +5 C ux {4,T} +6 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4365, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,D} +5 C ux {4,D} +""", + kinetics = None, +) + +entry( + index = 4366, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux r0 {2,S} {5,T} +5 C ux {4,T} +""", + kinetics = None, +) + +entry( + index = 4367, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} {5,[B,D,T,Q]} +5 C ux {4,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4368, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} {5,D} +5 C u0 {4,D} +""", + kinetics = None, +) + +entry( + index = 4369, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 {2,S} {5,[B,T]} +5 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 4370, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 r1 {2,S} {5,[B,T]} +5 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 4371, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_N-4R!H-inRing", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 r0 {2,S} {5,[B,T]} +5 C ux {4,[B,T]} +""", + kinetics = None, +) + +entry( + index = 4372, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4373, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} +3 *3 C u1 r0 +4 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4374, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 C u1 r0 +4 C ux r0 {2,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4375, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_N-Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 C u0 r0 {1,T} {4,S} +3 *3 C u1 r0 +4 C u0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4376, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_N-4R!H->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 r0 {1,[D,T,B]} {4,S} +3 *3 C u1 r0 +4 O ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 4377, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,[B,D,T,Q]} +3 *3 C u1 r0 +4 R!H ux {2,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4378, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 C u1 r0 +4 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4379, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 r0 {1,D} {4,[B,D,T,Q]} +3 *3 C u1 r0 +4 O ux r0 {2,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 4380, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO", + group = +""" +1 *1 C u0 {2,D} +2 *2 [C,N,O] u0 {1,D} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4381, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4382, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->C", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 O u0 r0 {1,D} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4383, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO", + group = +""" +1 *1 [N,C] u0 {2,T} +2 *2 [C,N,O] u0 {1,T} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4384, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->N", + group = +""" +1 *1 N u0 r0 {2,T} +2 *2 [C,N,O] u0 {1,T} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4385, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->N", + group = +""" +1 *1 C u0 r0 {2,T} +2 *2 [C,N,O] u0 {1,T} +3 *3 C u1 r0 +""", + kinetics = None, +) + +entry( + index = 4386, + label = "Root_N-3R-inRing_3R->C_N-3C-u1", + group = +""" +1 *1 R!H u0 r0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 C u2 r0 +""", + kinetics = None, +) + +entry( + index = 4387, + label = "Root_N-3R-inRing_N-3R->C", + group = +""" +1 *1 R!H u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 [N,F,Br,Cl,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4388, + label = "Root_N-3R-inRing_N-3R->C_1R!H->N", + group = +""" +1 *1 N u0 r0 {2,[D,T,B]} +2 *2 R!H u0 r0 {1,[D,T,B]} +3 *3 [N,F,Br,Cl,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4389, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 R!H u0 {1,[D,T,B]} +3 *3 [N,F,Br,Cl,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4390, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->O", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 O u0 {1,[D,T,B]} +3 *3 [N,F,Br,Cl,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4391, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 [N,F,Br,Cl,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4392, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 Cl u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4393, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 Cl u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4394, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,[S,D,T,B,Q]} +3 *3 Cl u[1,2,3,4] r0 +4 Cl ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4395, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R", + group = +""" +1 *1 C u0 {2,D} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} {4,[S,D,T,B,Q]} +3 *3 Cl u[1,2,3,4] r0 +4 Cl ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4396, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R_Ext-1CS-R", + group = +""" +1 *1 C u0 r0 {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} +3 *3 Cl u[1,2,3,4] r0 +4 Cl ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4397, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-1CS-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 Cl u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4398, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_N-Sp-2CNS=1CCNSS", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 Cl u1 r0 +""", + kinetics = None, +) + +entry( + index = 4399, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [N,C,S] u0 {1,[D,T,B]} +3 *3 [N,F,Br,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4400, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_2CNS->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 N u0 {1,[D,T,B]} +3 *3 [N,F,Br,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4401, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [N,F,Br,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4402, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_3BrFNOS->N", + group = +""" +1 *1 [C,S] u0 r0 {2,[D,T,B]} +2 *2 [C,S] u0 r0 {1,[D,T,B]} +3 *3 N u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4403, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [Br,O,F,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4404, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_3BrFOS->F", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 F u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4405, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F", + group = +""" +1 *1 [C,S] u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [Br,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4406, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 [Br,O,S] u[1,2,3,4] r0 +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4407, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 [Br,O,S] u1 r0 +4 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4408, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Ext-1CS-R", + group = +""" +1 *1 C u0 r0 {2,[D,T,B]} {5,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,[D,T,B]} {4,[S,D,T,B,Q]} +3 *3 [Br,O,S] u1 r0 +4 C ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4409, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,[S,D,T,B,Q]} +3 *3 O u1 r0 +4 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4410, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} +3 *3 O u1 r0 +4 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 4411, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS_Ext-2CS-R", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,S} {5,[S,D,T,B,Q]} +3 *3 O u1 r0 +4 C ux {2,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4412, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_N-Sp-4R!H-2CS", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,D} +3 *3 O u1 r0 +4 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 4413, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_N-Sp-2CS=1CCSS", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} {4,[S,D,T,B,Q]} +3 *3 O u1 r0 +4 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4414, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} {4,[S,D,T,B,Q]} +3 *3 O u2 r0 +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4415, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1_Ext-2CS-R", + group = +""" +1 *1 C u0 r0 {2,D} +2 *2 C u0 r0 {1,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 *3 O u2 r0 +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4416, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [Br,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4417, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 [Br,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4418, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_3BrOS->S", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 S u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4419, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S", + group = +""" +1 *1 C u0 {2,[D,T,B]} +2 *2 C u0 {1,[D,T,B]} +3 *3 [Br,O] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4420, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 [Br,O] u[1,2,3,4] r0 +""", + kinetics = None, +) + +entry( + index = 4421, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 [Br,O] u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4422, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u[1,2,3,4] r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4423, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_3BrO-u1", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u1 r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4424, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_N-3BrO-u1", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 O u2 r0 +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4425, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 [Br,O] u1 r0 +4 C u0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4426, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_3BrO->Br", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 Br u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4427, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_N-3BrO->Br", + group = +""" +1 *1 C u0 r0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 r0 {1,D} +3 *3 O u1 r0 +4 C u0 r0 {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4428, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_N-3BrO-u1", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,D} +3 *3 [Br,O] u2 r0 +4 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4429, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_3BrO-u1", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 O u1 r0 +""", + kinetics = None, +) + +entry( + index = 4430, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_N-3BrO-u1", + group = +""" +1 *1 C u0 {2,D} +2 *2 C u0 {1,D} +3 *3 O u2 r0 +""", + kinetics = None, +) + +entry( + index = 4431, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C", + group = +""" +1 *1 C u0 {2,T} +2 *2 C u0 {1,T} +3 *3 O u1 r0 +""", + kinetics = None, +) + +entry( + index = 4432, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,T} {4,[S,D,T,B,Q]} +2 *2 C u0 {1,T} +3 *3 O u1 r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4433, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C", + group = +""" +1 *1 C u0 {2,D} +2 *2 S u0 {1,D} +3 *3 S u1 r0 +""", + kinetics = None, +) + +entry( + index = 4434, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C_Ext-1C-R", + group = +""" +1 *1 C u0 {2,D} {4,[S,D,T,B,Q]} +2 *2 S u0 {1,D} +3 *3 S u1 r0 +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 4435, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_N-1CS->C", + group = +""" +1 *1 S u0 {2,[D,T,B]} +2 *2 [C,S] u0 {1,[D,T,B]} +3 *3 [Br,O,S] u[1,2,3,4] r0 +""", + kinetics = None, +) + +tree( +""" +L1: Root + L2: Root_3R->H + L3: Root_3R->H_2R!H->N + L4: Root_3R->H_2R!H->N_1R!H->C + L5: Root_3R->H_2R!H->N_1R!H->C_Sp-2N=1C + L5: Root_3R->H_2R!H->N_1R!H->C_N-Sp-2N=1C + L4: Root_3R->H_2R!H->N_N-1R!H->C + L5: Root_3R->H_2R!H->N_N-1R!H->C_Sp-2N=1NOS + L5: Root_3R->H_2R!H->N_N-1R!H->C_N-Sp-2N=1NOS + L3: Root_3R->H_N-2R!H->N + L4: Root_3R->H_N-2R!H->N_1R!H->N + L5: Root_3R->H_N-2R!H->N_1R!H->N_Sp-2CCOOSS=1N + L5: Root_3R->H_N-2R!H->N_1R!H->N_N-Sp-2CCOOSS=1N + L4: Root_3R->H_N-2R!H->N_N-1R!H->N + L5: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O + L6: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H=5R!H + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0 + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_Sp-5R!H=4C + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_N-Sp-5R!H=4C + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_N-Sp-4C-1COS + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_4ClS->S + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_N-4ClS->S + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_N-4R!H-u0 + L5: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O + L6: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-6R!H-u0 + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H_Ext-5R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_N-5R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Int-6R!H-4R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Sp-7R!H-4R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-5R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-4R!H-R + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_Sp-4R!H-1COS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Sp-4R!H-1COS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_N-Sp-4R!H-1COS + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_5R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_N-5R!H-inRing + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-4R!H-inRing + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R_Ext-5R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-6R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_N-6R!H-inRing + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-5R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_N-8R!H-inRing + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2CS-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-4R!H-R + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Int-6R!H-2CS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing_Ext-5R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_N-5R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_N-7R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_Sp-6R!H-=5R!H + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_N-Sp-6R!H-=5R!H + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-7R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-5R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-Sp-4R!H-1COS + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-2CS-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-2CS-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_Sp-8R!H-6R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_Sp-6R!H-5R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_N-Sp-6R!H-5R!H + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_7R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing_Ext-7R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-5R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Int-6R!H-1COS + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R_Ext-2CS-R_Ext-5R!H-R_Ext-5R!H-R + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R + L6: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + L24: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + L24: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + L24: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + L24: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H + L23: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_7R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_Sp-7R!H=4C + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Ext-4C-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Sp-7R!H=4C + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_N-Sp-4C-1COS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C_Ext-1COS-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_4R!H->O + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_Sp-8R!H=6R!H + L22: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_N-Sp-8R!H=6R!H + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl_Ext-6R!H-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_Sp-6R!H=4CCClCl + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl_Ext-4CCl-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_N-5R!H->C + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_N-Sp-4CCl-1CCClOS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_N-Sp-4R!H-1COS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_6R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_N-6R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing_Ext-4R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_4R!H->N + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_7R!H->F + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_N-7R!H->F + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_N-Sp-6R!H-4CClOS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_Sp-2CS=1CCOSS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_N-Sp-2CS=1CCOSS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_5R!H->C + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_N-5R!H->C + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_6R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_6R!H-inRing + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_N-Sp-4CClOS-1CCClOOSS + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_N-Sp-2C=1COS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_5R!H->O + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_2CS->C + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_N-2CS->C + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_2CS->C + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_N-2CS->C + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2CS-R + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2CS=1CCOSS + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_8R!H-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_8R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2CS=1CCOSS + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2CS=1CCOSS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_Sp-8R!H-2CS + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_N-Sp-8R!H-2CS + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_N-Sp-2CS=1CCOSS + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2CS=1CCOSS + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_N-2CS->C + L7: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_Sp-4O-2C + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_N-Sp-4O-2C + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_Sp-5R!H-4BrCClFINPSSi + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi_Ext-2C-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_4BrCClFINPSSi->F + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_Sp-7R!H=6R!H + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-6R!H-R + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_5C-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing + L20: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R + L21: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R_Ext-5C-R + L18: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_5C-inRing + L19: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_N-5C-inRing + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_N-5R!H->C + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C + L17: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C_Ext-2C-R + L16: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_N-4CCl->C + L15: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_N-Sp-4CCl-2C + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_N-2CS->C + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C_Ext-2CS-R + L8: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS + L9: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C + L11: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_5R!H-inRing + L12: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Ext-5R!H-R + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Sp-5R!H=4C + L13: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C + L14: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C_Ext-4C-R + L10: Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_N-4R!H->C + L2: Root_3R-inRing + L3: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R + L4: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O + L4: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O + L5: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + L5: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H + L6: Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H + L3: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L13: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + L11: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H + L12: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L10: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H + L8: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H + L7: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L4: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R + L6: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H + L5: Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H + L2: Root_N-3R-inRing + L3: Root_N-3R-inRing_Ext-3R-R + L4: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R + L5: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_2R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_N-2R!H->C + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + L5: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + L5: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L18: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L17: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L16: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->C + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + L15: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_Sp-5R!H#4R!H + L9: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_4R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->C + L6: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing + L7: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R + L4: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R + L5: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-2C + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-2C + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->C + L5: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + L11: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + L8: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + L7: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R + L6: Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R + L4: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R + L5: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-6R!H-2R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R_Ext-3C-R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-13R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-13R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Ext-6R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Sp-7R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_N-Sp-7R!H=5R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_5R!H-u1 + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_N-5R!H-u1 + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L19: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-11R!H=5R!H + L19: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-11R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H + L19: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + L19: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H + L19: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + L19: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L18: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_Sp-6R!H-2C + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + L17: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_5CS->C + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_N-5CS->C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_N-6R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R_Ext-3C-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_N-Sp-2R!H=1R!H + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H + L16: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_N-Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Sp-7R!H=6R!H + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_N-Sp-7R!H=6R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H_Ext-3C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H + L15: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R_Ext-3C-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-3C-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C_Ext-3C-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C_Ext-3C-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C_Ext-3C-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_N-4R!H->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C_Ext-3C-R + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C_Ext-3C-R + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S_Ext-2R!H-R + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_2R!H->S + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CNO-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Ext-7R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_Sp-5C-2CNO + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_N-Sp-5C-2CNO + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_N-5R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_N-Sp-2CNO=1CCNNO + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_N-4R!H->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_1CN->N + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_4R!H->C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_N-4R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_N-2CNO->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_2CNO->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_N-2CNO->C + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_N-Sp-4R!H-3C + L5: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R + L6: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0 + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_2CNS->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_N-2CNS->C + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_N-1R!H->C + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_4CO->C + L14: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_N-4CO->C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_4CO->C + L13: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_N-4CO->C + L12: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_N-5R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_4CO->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_N-4CO->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_N-Sp-2CNS=1R!H + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_2CNS->C + L11: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_N-2CNS->C + L10: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_N-1R!H->C + L7: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0 + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R + L9: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R_Ext-5R!H-R + L8: Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-1R!H-R + L3: Root_N-3R-inRing_3R->C + L4: Root_N-3R-inRing_3R->C_Ext-1R!H-R + L5: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_3C-u1 + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_N-3C-u1 + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_2R!H->O + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_1R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_4C-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing_Ext-6R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-5R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Sp-6R!H=4C + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_N-Sp-6R!H=4C + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_2CS->C + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_N-2CS->C + L5: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-2R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-5R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-6R!H-R_Ext-4R!H-R + L5: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_Int-5R!H-4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_Sp-6R!H-=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-5R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R_Ext-6R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H=5R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-5R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H + L14: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Ext-2R!H-R + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-5R!H-2R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-5R!H-2R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H + L13: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-2R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H_Ext-2R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_Sp-6R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_Sp-6R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_4R!H->C + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_N-4R!H->C + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0 + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_4R!H-inRing + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_Sp-4R!H-1R!H + L11: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_4R!H->C + L12: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_N-4R!H->C + L10: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_N-2CO->C + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_N-4R!H-u0 + L6: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_4R!H-inRing + L7: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + L8: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + L9: Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + L4: Root_N-3R-inRing_3R->C_3C-u1 + L5: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S + L6: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R + L8: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R + L7: Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R + L5: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S + L6: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S + L6: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S + L7: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_2CNO-inRing + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing_Ext-2CNO-R + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R + L15: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R + L15: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H + L15: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Sp-5R!H=4R!H + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_N-Sp-5R!H=4R!H + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_Sp-5R!H=4R!H + L13: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_4R!H-inRing + L14: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_N-4R!H-inRing + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO + L12: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R + L11: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_N-Sp-2CNO=1CCNNO + L10: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_N-4R!H->C + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C + L9: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C + L7: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->C + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->C + L7: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->N + L8: Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->N + L4: Root_N-3R-inRing_3R->C_N-3C-u1 + L3: Root_N-3R-inRing_N-3R->C + L4: Root_N-3R-inRing_N-3R->C_1R!H->N + L4: Root_N-3R-inRing_N-3R->C_N-1R!H->N + L5: Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->O + L5: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O + L6: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl + L7: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R_Ext-1CS-R + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-1CS-R + L7: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_N-Sp-2CNS=1CCNSS + L6: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl + L7: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_2CNS->N + L7: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_3BrFNOS->N + L8: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_3BrFOS->F + L9: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1 + L12: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Ext-1CS-R + L12: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS + L13: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS + L14: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS_Ext-2CS-R + L13: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_N-Sp-4R!H-2CS + L12: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_N-Sp-2CS=1CCSS + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1 + L12: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1_Ext-2CS-R + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C + L12: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_3BrOS->S + L12: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S + L13: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C + L14: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R + L15: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R + L16: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_3BrO-u1 + L16: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_N-3BrO-u1 + L15: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1 + L16: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_3BrO->Br + L16: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_N-3BrO->Br + L15: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_N-3BrO-u1 + L14: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_3BrO-u1 + L14: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_N-3BrO-u1 + L13: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C + L14: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C_Ext-1C-R + L11: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C + L12: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C_Ext-1C-R + L10: Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_N-1CS->C +""" +) + +forbidden( + label = "O2d", + group = +""" +1 *1 O u0 {2,D} +2 *2 O u0 {1,D} +""", + shortDesc = """""", + longDesc = +""" """, ) diff --git a/input/kinetics/families/R_Addition_MultipleBond/rules.py b/input/kinetics/families/R_Addition_MultipleBond/rules.py index 446e0ba69e..3c9d839467 100644 --- a/input/kinetics/families/R_Addition_MultipleBond/rules.py +++ b/input/kinetics/families/R_Addition_MultipleBond/rules.py @@ -2,22 +2,66547 @@ # encoding: utf-8 name = "R_Addition_MultipleBond/rules" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ """ +entry( + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(2.66944e+13,'m^3/(mol*s)'), n=-2.06969, w0=(304.338,'kJ/mol'), E0=(91.2197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21909771748945858, var=15.050572460742625, Tref=1000.0, N=2985, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 2985 training reactions at node Root + Total Standard Deviation in ln(k): 8.327880000324406"""), + rank = 11, + shortDesc = """BM rule fitted to 2985 training reactions at node Root +Total Standard Deviation in ln(k): 8.327880000324406""", + longDesc = +""" +BM rule fitted to 2985 training reactions at node Root +Total Standard Deviation in ln(k): 8.327880000324406 +""", +) + +entry( + index = 2, + label = "Root_3R->H", + kinetics = ArrheniusBM(A=(3.07345e+16,'m^3/(mol*s)'), n=-2.86535, w0=(333.774,'kJ/mol'), E0=(103.012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5789871311838461, var=20.316017622631357, Tref=1000.0, N=399, data_mean=0.0, correlation='Root_3R->H',), comment="""BM rule fitted to 399 training reactions at node Root_3R->H + Total Standard Deviation in ln(k): 10.490742734079335"""), + rank = 11, + shortDesc = """BM rule fitted to 399 training reactions at node Root_3R->H +Total Standard Deviation in ln(k): 10.490742734079335""", + longDesc = +""" +BM rule fitted to 399 training reactions at node Root_3R->H +Total Standard Deviation in ln(k): 10.490742734079335 +""", +) + +entry( + index = 3, + label = "Root_3R->H_2R!H->N", + kinetics = ArrheniusBM(A=(3.9214e+12,'m^3/(mol*s)'), n=-3.23364, w0=(368.875,'kJ/mol'), E0=(52.7202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4181241071372311, var=14.746837491824964, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_2R!H->N',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_2R!H->N + Total Standard Deviation in ln(k): 8.749068800143196"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_2R!H->N +Total Standard Deviation in ln(k): 8.749068800143196""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_2R!H->N +Total Standard Deviation in ln(k): 8.749068800143196 +""", +) + +entry( + index = 4, + label = "Root_3R->H_2R!H->N_1R!H->C", + kinetics = ArrheniusBM(A=(3.78639e+26,'m^3/(mol*s)'), n=-7.4682, w0=(351,'kJ/mol'), E0=(87.6235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23477098429064264, var=4.455045850274481, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_2R!H->N_1R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_1R!H->C + Total Standard Deviation in ln(k): 4.821267069815452"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_1R!H->C +Total Standard Deviation in ln(k): 4.821267069815452""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_1R!H->C +Total Standard Deviation in ln(k): 4.821267069815452 +""", +) + +entry( + index = 5, + label = "Root_3R->H_2R!H->N_1R!H->C_Sp-2N=1C", + kinetics = ArrheniusBM(A=(7.32e+23,'m^3/(mol*s)'), n=-6.51, w0=(360.5,'kJ/mol'), E0=(85.1937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_1R!H->C_Sp-2N=1C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->C_Sp-2N=1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->C_Sp-2N=1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->C_Sp-2N=1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6, + label = "Root_3R->H_2R!H->N_1R!H->C_N-Sp-2N=1C", + kinetics = ArrheniusBM(A=(7.24e+23,'m^3/(mol*s)'), n=-6.87, w0=(341.5,'kJ/mol'), E0=(74.7864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_1R!H->C_N-Sp-2N=1C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->C_N-Sp-2N=1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->C_N-Sp-2N=1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_1R!H->C_N-Sp-2N=1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 7, + label = "Root_3R->H_2R!H->N_N-1R!H->C", + kinetics = ArrheniusBM(A=(3.46129e+06,'m^3/(mol*s)'), n=-1.08911, w0=(386.75,'kJ/mol'), E0=(5.19323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.765088834249911, var=290.2112988036268, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_2R!H->N_N-1R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C + Total Standard Deviation in ln(k): 53.66211665163586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C +Total Standard Deviation in ln(k): 53.66211665163586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C +Total Standard Deviation in ln(k): 53.66211665163586 +""", +) + +entry( + index = 8, + label = "Root_3R->H_2R!H->N_N-1R!H->C_Sp-2N=1NOS", + kinetics = ArrheniusBM(A=(9.91e+28,'m^3/(mol*s)'), n=-7.67, w0=(318.5,'kJ/mol'), E0=(135.234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_N-1R!H->C_Sp-2N=1NOS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C_Sp-2N=1NOS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C_Sp-2N=1NOS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C_Sp-2N=1NOS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 9, + label = "Root_3R->H_2R!H->N_N-1R!H->C_N-Sp-2N=1NOS", + kinetics = ArrheniusBM(A=(3.8e+09,'m^3/(mol*s)'), n=-0.64, w0=(455,'kJ/mol'), E0=(46.8079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_2R!H->N_N-1R!H->C_N-Sp-2N=1NOS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C_N-Sp-2N=1NOS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C_N-Sp-2N=1NOS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_2R!H->N_N-1R!H->C_N-Sp-2N=1NOS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 10, + label = "Root_3R->H_N-2R!H->N", + kinetics = ArrheniusBM(A=(1.36347e+14,'m^3/(mol*s)'), n=-1.95282, w0=(333.419,'kJ/mol'), E0=(101.472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7462539724380147, var=14.661428760172576, Tref=1000.0, N=395, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N',), comment="""BM rule fitted to 395 training reactions at node Root_3R->H_N-2R!H->N + Total Standard Deviation in ln(k): 9.551189744627235"""), + rank = 11, + shortDesc = """BM rule fitted to 395 training reactions at node Root_3R->H_N-2R!H->N +Total Standard Deviation in ln(k): 9.551189744627235""", + longDesc = +""" +BM rule fitted to 395 training reactions at node Root_3R->H_N-2R!H->N +Total Standard Deviation in ln(k): 9.551189744627235 +""", +) + +entry( + index = 11, + label = "Root_3R->H_N-2R!H->N_1R!H->N", + kinetics = ArrheniusBM(A=(8.90324e+28,'m^3/(mol*s)'), n=-8.03556, w0=(341.667,'kJ/mol'), E0=(92.4868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3735627212249267, var=3.0362270483273015, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_1R!H->N',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N + Total Standard Deviation in ln(k): 4.431805113626538"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N +Total Standard Deviation in ln(k): 4.431805113626538""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N +Total Standard Deviation in ln(k): 4.431805113626538 +""", +) + +entry( + index = 12, + label = "Root_3R->H_N-2R!H->N_1R!H->N_Sp-2CCOOSS=1N", + kinetics = ArrheniusBM(A=(7.67751e+29,'m^3/(mol*s)'), n=-8.02215, w0=(348,'kJ/mol'), E0=(112.468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=7.8081197542431715, var=139.9333525475832, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_1R!H->N_Sp-2CCOOSS=1N',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N_Sp-2CCOOSS=1N + Total Standard Deviation in ln(k): 43.33308992036341"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N_Sp-2CCOOSS=1N +Total Standard Deviation in ln(k): 43.33308992036341""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N_Sp-2CCOOSS=1N +Total Standard Deviation in ln(k): 43.33308992036341 +""", +) + +entry( + index = 13, + label = "Root_3R->H_N-2R!H->N_1R!H->N_N-Sp-2CCOOSS=1N", + kinetics = ArrheniusBM(A=(7.24e+23,'m^3/(mol*s)'), n=-6.87, w0=(329,'kJ/mol'), E0=(62.8311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_1R!H->N_N-Sp-2CCOOSS=1N',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N_N-Sp-2CCOOSS=1N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N_N-Sp-2CCOOSS=1N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_1R!H->N_N-Sp-2CCOOSS=1N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 14, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N", + kinetics = ArrheniusBM(A=(8321.19,'m^3/(mol*s)'), n=1.19072, w0=(333.356,'kJ/mol'), E0=(75.733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6780100193301782, var=10.81362690231663, Tref=1000.0, N=392, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N',), comment="""BM rule fitted to 392 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N + Total Standard Deviation in ln(k): 8.295929545564066"""), + rank = 11, + shortDesc = """BM rule fitted to 392 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N +Total Standard Deviation in ln(k): 8.295929545564066""", + longDesc = +""" +BM rule fitted to 392 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N +Total Standard Deviation in ln(k): 8.295929545564066 +""", +) + +entry( + index = 15, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O", + kinetics = ArrheniusBM(A=(4.57725e-07,'m^3/(mol*s)'), n=4.1129, w0=(426,'kJ/mol'), E0=(25.3151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1457060413881453, var=1.1292158394697238, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O + Total Standard Deviation in ln(k): 2.496418649261088"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O +Total Standard Deviation in ln(k): 2.496418649261088""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O +Total Standard Deviation in ln(k): 2.496418649261088 +""", +) + +entry( + index = 16, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R", + kinetics = ArrheniusBM(A=(2.95044e-07,'m^3/(mol*s)'), n=4.17059, w0=(426,'kJ/mol'), E0=(24.9235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27657744923701777, var=0.8612700768867497, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R + Total Standard Deviation in ln(k): 2.555405338529558"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R +Total Standard Deviation in ln(k): 2.555405338529558""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R +Total Standard Deviation in ln(k): 2.555405338529558 +""", +) + +entry( + index = 17, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00830112,'m^3/(mol*s)'), n=2.85734, w0=(426,'kJ/mol'), E0=(42.32,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0719595024542213, var=6.376381657399837, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R + Total Standard Deviation in ln(k): 5.243059207262589"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R +Total Standard Deviation in ln(k): 5.243059207262589""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R +Total Standard Deviation in ln(k): 5.243059207262589 +""", +) + +entry( + index = 18, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(39.7,'m^3/(mol*s)'), n=1.88, w0=(426,'kJ/mol'), E0=(48.6835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 19, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(15.9,'m^3/(mol*s)'), n=1.84, w0=(426,'kJ/mol'), E0=(54.1498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 20, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0", + kinetics = ArrheniusBM(A=(1.42118e-08,'m^3/(mol*s)'), n=4.56427, w0=(426,'kJ/mol'), E0=(13.4903,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27792374648988344, var=0.37052311097009455, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0 + Total Standard Deviation in ln(k): 1.9185953324967253"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0 +Total Standard Deviation in ln(k): 1.9185953324967253""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0 +Total Standard Deviation in ln(k): 1.9185953324967253 +""", +) + +entry( + index = 21, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C", + kinetics = ArrheniusBM(A=(2.98631e-08,'m^3/(mol*s)'), n=4.46148, w0=(426,'kJ/mol'), E0=(12.9,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3876410809162178, var=0.8482072480159383, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C + Total Standard Deviation in ln(k): 2.820296837161872"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C +Total Standard Deviation in ln(k): 2.820296837161872""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C +Total Standard Deviation in ln(k): 2.820296837161872 +""", +) + +entry( + index = 22, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS", + kinetics = ArrheniusBM(A=(2.00125e-07,'m^3/(mol*s)'), n=4.17003, w0=(426,'kJ/mol'), E0=(9.41762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23271625184957997, var=0.9599678085447788, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS + Total Standard Deviation in ln(k): 2.548912470928307"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS +Total Standard Deviation in ln(k): 2.548912470928307""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS +Total Standard Deviation in ln(k): 2.548912470928307 +""", +) + +entry( + index = 23, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R", + kinetics = ArrheniusBM(A=(4.92375e-08,'m^3/(mol*s)'), n=4.42726, w0=(426,'kJ/mol'), E0=(8.09954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1762869293162545, var=7.234934186632228, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R + Total Standard Deviation in ln(k): 5.835234909966682"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R +Total Standard Deviation in ln(k): 5.835234909966682""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R +Total Standard Deviation in ln(k): 5.835234909966682 +""", +) + +entry( + index = 24, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(7.5,'m^3/(mol*s)'), n=2.16, w0=(426,'kJ/mol'), E0=(41.4998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_Sp-5R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 25, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_N-Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(2.99,'m^3/(mol*s)'), n=2.12, w0=(426,'kJ/mol'), E0=(48.8399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_N-Sp-5R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_N-Sp-5R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_Sp-4C-1COS_Ext-4C-R_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 26, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_N-Sp-4C-1COS", + kinetics = ArrheniusBM(A=(1.94505e+06,'m^3/(mol*s)'), n=0.615377, w0=(426,'kJ/mol'), E0=(96.7806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_N-Sp-4C-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_N-Sp-4C-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_4R!H->C_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 27, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C", + kinetics = ArrheniusBM(A=(62.3036,'m^3/(mol*s)'), n=1.8142, w0=(426,'kJ/mol'), E0=(44.2827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04873873903793783, var=1.1416335146617607, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C + Total Standard Deviation in ln(k): 2.264463472754899"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C +Total Standard Deviation in ln(k): 2.264463472754899""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C +Total Standard Deviation in ln(k): 2.264463472754899 +""", +) + +entry( + index = 28, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_4ClS->S", + kinetics = ArrheniusBM(A=(8410,'m^3/(mol*s)'), n=1.23, w0=(426,'kJ/mol'), E0=(49.4881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_4ClS->S',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_4ClS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_4ClS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_4ClS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 29, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_N-4ClS->S", + kinetics = ArrheniusBM(A=(45.1747,'m^3/(mol*s)'), n=1.78723, w0=(426,'kJ/mol'), E0=(44.6578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_N-4ClS->S',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_N-4ClS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_N-4ClS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_4R!H-u0_N-4R!H->C_N-4ClS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 30, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_N-4R!H-u0", + kinetics = ArrheniusBM(A=(74.545,'m^3/(mol*s)'), n=1.71558, w0=(426,'kJ/mol'), E0=(49.018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_2COS->O_Ext-1COS-R_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 31, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O", + kinetics = ArrheniusBM(A=(31291.2,'m^3/(mol*s)'), n=1.02558, w0=(330.43,'kJ/mol'), E0=(77.9769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7087518849097414, var=10.922484889553356, Tref=1000.0, N=380, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O',), comment="""BM rule fitted to 380 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O + Total Standard Deviation in ln(k): 8.406269250057758"""), + rank = 11, + shortDesc = """BM rule fitted to 380 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O +Total Standard Deviation in ln(k): 8.406269250057758""", + longDesc = +""" +BM rule fitted to 380 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O +Total Standard Deviation in ln(k): 8.406269250057758 +""", +) + +entry( + index = 32, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing", + kinetics = ArrheniusBM(A=(1.09248e+06,'m^3/(mol*s)'), n=0.62156, w0=(314.739,'kJ/mol'), E0=(66.4377,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20770946877829846, var=3.2929472708930736, Tref=1000.0, N=92, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing',), comment="""BM rule fitted to 92 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing + Total Standard Deviation in ln(k): 4.159771534728789"""), + rank = 11, + shortDesc = """BM rule fitted to 92 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing +Total Standard Deviation in ln(k): 4.159771534728789""", + longDesc = +""" +BM rule fitted to 92 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing +Total Standard Deviation in ln(k): 4.159771534728789 +""", +) + +entry( + index = 33, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS", + kinetics = ArrheniusBM(A=(0.00179323,'m^3/(mol*s)'), n=3.0676, w0=(291.5,'kJ/mol'), E0=(30.6803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025744216916905614, var=2.441987976104995, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS',), comment="""BM rule fitted to 40 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS + Total Standard Deviation in ln(k): 3.197455684456525"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS +Total Standard Deviation in ln(k): 3.197455684456525""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS +Total Standard Deviation in ln(k): 3.197455684456525 +""", +) + +entry( + index = 34, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R", + kinetics = ArrheniusBM(A=(3.51001e-05,'m^3/(mol*s)'), n=3.5442, w0=(291.5,'kJ/mol'), E0=(16.6794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1182081853656792, var=3.5710125883145842, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R',), comment="""BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R + Total Standard Deviation in ln(k): 4.085378030984643"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 4.085378030984643""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 4.085378030984643 +""", +) + +entry( + index = 35, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(403.767,'m^3/(mol*s)'), n=1.49966, w0=(291.5,'kJ/mol'), E0=(48.0301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13531485252247216, var=2.8310814292915762, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 3.7131177714047716"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 3.7131177714047716""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 3.7131177714047716 +""", +) + +entry( + index = 36, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(403.767,'m^3/(mol*s)'), n=1.49966, w0=(291.5,'kJ/mol'), E0=(48.0301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13531485252247216, var=2.8310814292915762, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 3.7131177714047716"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 3.7131177714047716""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 3.7131177714047716 +""", +) + +entry( + index = 37, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-6R!H-u0", + kinetics = ArrheniusBM(A=(210.957,'m^3/(mol*s)'), n=1.58243, w0=(291.5,'kJ/mol'), E0=(19.2939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-6R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-6R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-6R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 38, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H", + kinetics = ArrheniusBM(A=(123513,'m^3/(mol*s)'), n=0.681289, w0=(291.5,'kJ/mol'), E0=(60.6372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23556660453406567, var=6.469799609108717, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H + Total Standard Deviation in ln(k): 5.691080093704932"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H +Total Standard Deviation in ln(k): 5.691080093704932""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H +Total Standard Deviation in ln(k): 5.691080093704932 +""", +) + +entry( + index = 39, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(105.357,'m^3/(mol*s)'), n=1.45722, w0=(291.5,'kJ/mol'), E0=(55.6549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Int-9R!H-2CS_Int-9R!H-6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 40, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R", + kinetics = ArrheniusBM(A=(7.08158,'m^3/(mol*s)'), n=2.0539, w0=(291.5,'kJ/mol'), E0=(37.3295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023409871617256904, var=0.027295736392909938, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R + Total Standard Deviation in ln(k): 0.39002950230151884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 0.39002950230151884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 0.39002950230151884 +""", +) + +entry( + index = 41, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(81.1555,'m^3/(mol*s)'), n=1.68908, w0=(291.5,'kJ/mol'), E0=(34.3857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 42, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(5154.11,'m^3/(mol*s)'), n=1.29523, w0=(291.5,'kJ/mol'), E0=(55.7065,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Ext-8R!H-R_Ext-2CS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 43, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Int-6R!H-4R!H", + kinetics = ArrheniusBM(A=(1.42632,'m^3/(mol*s)'), n=2.23972, w0=(291.5,'kJ/mol'), E0=(35.132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Int-6R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Int-6R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Int-6R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Int-6R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 44, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Sp-7R!H-4R!H", + kinetics = ArrheniusBM(A=(5.87139,'m^3/(mol*s)'), n=2.0422, w0=(291.5,'kJ/mol'), E0=(38.7157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10528638589432678, var=31.649384107336154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Sp-7R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Sp-7R!H-4R!H + Total Standard Deviation in ln(k): 11.542734221667933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.542734221667933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.542734221667933 +""", +) + +entry( + index = 45, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H", + kinetics = ArrheniusBM(A=(5.74854e-06,'m^3/(mol*s)'), n=3.79602, w0=(291.5,'kJ/mol'), E0=(20.5988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0420313838452385, var=3.0607963476058204, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H + Total Standard Deviation in ln(k): 3.6129169212747057"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 3.6129169212747057""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 3.6129169212747057 +""", +) + +entry( + index = 46, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.11353,'m^3/(mol*s)'), n=2.09889, w0=(291.5,'kJ/mol'), E0=(45.9355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 47, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.59504,'m^3/(mol*s)'), n=2.18685, w0=(291.5,'kJ/mol'), E0=(37.2711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS_N-Sp-7R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 48, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(2.65161e-07,'m^3/(mol*s)'), n=4.1748, w0=(291.5,'kJ/mol'), E0=(12.5894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1170012824661251, var=3.5364523244003627, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 4.063969104687556"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 4.063969104687556""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 4.063969104687556 +""", +) + +entry( + index = 49, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.19942e-07,'m^3/(mol*s)'), n=4.2771, w0=(291.5,'kJ/mol'), E0=(12.2647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04558144576577343, var=5.6778422873782, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing + Total Standard Deviation in ln(k): 4.891453766845532"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.891453766845532""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.891453766845532 +""", +) + +entry( + index = 50, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R", + kinetics = ArrheniusBM(A=(2.07282e-05,'m^3/(mol*s)'), n=3.599, w0=(291.5,'kJ/mol'), E0=(12.7252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06571952076139288, var=8.385545570413765, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R + Total Standard Deviation in ln(k): 5.970397468652188"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 5.970397468652188""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 5.970397468652188 +""", +) + +entry( + index = 51, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(819965,'m^3/(mol*s)'), n=0.550684, w0=(291.5,'kJ/mol'), E0=(16.3782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.49209843381466273, var=0.0005606467934426641, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.2838963051272867"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2838963051272867""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2838963051272867 +""", +) + +entry( + index = 52, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(49370,'m^3/(mol*s)'), n=0.925, w0=(291.5,'kJ/mol'), E0=(16.3219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_Sp-4R!H-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 53, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(2.15896e+06,'m^3/(mol*s)'), n=0.405549, w0=(291.5,'kJ/mol'), E0=(0.457216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Ext-8R!H-R_Ext-8R!H-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 54, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(23.405,'m^3/(mol*s)'), n=1.88012, w0=(291.5,'kJ/mol'), E0=(52.405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16485826067231132, var=2.587294055067288, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 3.6388466955621186"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 3.6388466955621186""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 3.6388466955621186 +""", +) + +entry( + index = 55, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(27.9664,'m^3/(mol*s)'), n=1.8856, w0=(291.5,'kJ/mol'), E0=(48.8695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14916792054609262, var=20.114023142321905, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 9.365761981154412"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 9.365761981154412""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-2CS-R_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 9.365761981154412 +""", +) + +entry( + index = 56, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0210406,'m^3/(mol*s)'), n=2.86519, w0=(291.5,'kJ/mol'), E0=(41.7718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 57, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(8.81,'m^3/(mol*s)'), n=1.95, w0=(291.5,'kJ/mol'), E0=(56.3756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_4R!H-inRing_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 58, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(2.57191,'m^3/(mol*s)'), n=2.19048, w0=(291.5,'kJ/mol'), E0=(52.0864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07473866408546559, var=1.2429620812121016, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.4228288270782357"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4228288270782357""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4228288270782357 +""", +) + +entry( + index = 59, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.0104273,'m^3/(mol*s)'), n=2.73368, w0=(291.5,'kJ/mol'), E0=(21.9468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02675074521612448, var=1.1921460096348802, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 2.256091723335962"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.256091723335962""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.256091723335962 +""", +) + +entry( + index = 60, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.575211,'m^3/(mol*s)'), n=2.25813, w0=(291.5,'kJ/mol'), E0=(33.7719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 61, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.147272,'m^3/(mol*s)'), n=2.55318, w0=(291.5,'kJ/mol'), E0=(42.6358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04885296950107146, var=1.7264163164382917, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 2.756830973423909"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.756830973423909""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.756830973423909 +""", +) + +entry( + index = 62, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000359738,'m^3/(mol*s)'), n=3.34811, w0=(291.5,'kJ/mol'), E0=(25.5947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11207752854848652, var=1.877526584120221, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.0285472917892844"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0285472917892844""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0285472917892844 +""", +) + +entry( + index = 63, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.00066513,'m^3/(mol*s)'), n=3.27799, w0=(291.5,'kJ/mol'), E0=(22.5293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15278844548356862, var=1.7336910647243142, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 3.023519285772354"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.023519285772354""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.023519285772354 +""", +) + +entry( + index = 64, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R", + kinetics = ArrheniusBM(A=(22.8626,'m^3/(mol*s)'), n=1.9393, w0=(291.5,'kJ/mol'), E0=(51.2784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.30816267110850415, var=0.0576662960753326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R + Total Standard Deviation in ln(k): 1.255691294700711"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R +Total Standard Deviation in ln(k): 1.255691294700711""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R +Total Standard Deviation in ln(k): 1.255691294700711 +""", +) + +entry( + index = 65, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(504,'m^3/(mol*s)'), n=1.538, w0=(291.5,'kJ/mol'), E0=(52.4285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-2CS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 66, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS", + kinetics = ArrheniusBM(A=(0.000225324,'m^3/(mol*s)'), n=3.37071, w0=(291.5,'kJ/mol'), E0=(19.303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17837460878371647, var=3.575996574601481, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS + Total Standard Deviation in ln(k): 4.239192702806523"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS +Total Standard Deviation in ln(k): 4.239192702806523""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS +Total Standard Deviation in ln(k): 4.239192702806523 +""", +) + +entry( + index = 67, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing", + kinetics = ArrheniusBM(A=(10.249,'m^3/(mol*s)'), n=1.99541, w0=(291.5,'kJ/mol'), E0=(58.3157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13355523981269704, var=0.2638792137369343, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing + Total Standard Deviation in ln(k): 1.365381798822043"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing +Total Standard Deviation in ln(k): 1.365381798822043""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing +Total Standard Deviation in ln(k): 1.365381798822043 +""", +) + +entry( + index = 68, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(303.4,'m^3/(mol*s)'), n=1.546, w0=(291.5,'kJ/mol'), E0=(63.1947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_6R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 69, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(34.9214,'m^3/(mol*s)'), n=1.92438, w0=(291.5,'kJ/mol'), E0=(50.2422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08730267909906117, var=19.070831151403905, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_N-6R!H-inRing + Total Standard Deviation in ln(k): 8.974064176330584"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_N-6R!H-inRing +Total Standard Deviation in ln(k): 8.974064176330584""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Int-8R!H-2CS_N-6R!H-inRing +Total Standard Deviation in ln(k): 8.974064176330584 +""", +) + +entry( + index = 70, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(330.484,'m^3/(mol*s)'), n=1.57158, w0=(291.5,'kJ/mol'), E0=(60.8613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-9R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 71, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(984.923,'m^3/(mol*s)'), n=1.49476, w0=(291.5,'kJ/mol'), E0=(52.5915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 72, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(174.355,'m^3/(mol*s)'), n=1.89296, w0=(291.5,'kJ/mol'), E0=(48.8992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_8R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 73, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1123.3,'m^3/(mol*s)'), n=1.42368, w0=(291.5,'kJ/mol'), E0=(63.2616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Ext-7R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 74, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(539.645,'m^3/(mol*s)'), n=1.42903, w0=(291.5,'kJ/mol'), E0=(63.4189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 75, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.785,'m^3/(mol*s)'), n=1.859, w0=(291.5,'kJ/mol'), E0=(48.4965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_Sp-2CS-=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 76, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS", + kinetics = ArrheniusBM(A=(2.03996e+06,'m^3/(mol*s)'), n=0.58024, w0=(332.615,'kJ/mol'), E0=(72.7962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19911822183185635, var=3.9649898907263457, Tref=1000.0, N=52, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS',), comment="""BM rule fitted to 52 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS + Total Standard Deviation in ln(k): 4.492182133036493"""), + rank = 11, + shortDesc = """BM rule fitted to 52 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS +Total Standard Deviation in ln(k): 4.492182133036493""", + longDesc = +""" +BM rule fitted to 52 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS +Total Standard Deviation in ln(k): 4.492182133036493 +""", +) + +entry( + index = 77, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing", + kinetics = ArrheniusBM(A=(73928.5,'m^3/(mol*s)'), n=0.961018, w0=(332.5,'kJ/mol'), E0=(65.1147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16364334768743335, var=4.227275062751915, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing',), comment="""BM rule fitted to 46 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing + Total Standard Deviation in ln(k): 4.532967306393893"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing +Total Standard Deviation in ln(k): 4.532967306393893""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing +Total Standard Deviation in ln(k): 4.532967306393893 +""", +) + +entry( + index = 78, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R", + kinetics = ArrheniusBM(A=(2.97324,'m^3/(mol*s)'), n=2.12322, w0=(333.5,'kJ/mol'), E0=(54.6538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0984061311673169, var=1.772613507237397, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R + Total Standard Deviation in ln(k): 2.916346492595711"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 2.916346492595711""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 2.916346492595711 +""", +) + +entry( + index = 79, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.596503,'m^3/(mol*s)'), n=2.29663, w0=(333.5,'kJ/mol'), E0=(53.7987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08546600576587018, var=0.6163705976545122, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.788641646566209"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.788641646566209""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.788641646566209 +""", +) + +entry( + index = 80, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0689565,'m^3/(mol*s)'), n=2.57985, w0=(333.5,'kJ/mol'), E0=(46.2613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10560809984481842, var=0.8076795914588183, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 2.067022364919958"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.067022364919958""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.067022364919958 +""", +) + +entry( + index = 81, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.433273,'m^3/(mol*s)'), n=2.37765, w0=(333.5,'kJ/mol'), E0=(33.7568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5241367991911335, var=0.6832573469933269, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.974028261369268"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.974028261369268""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.974028261369268 +""", +) + +entry( + index = 82, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.296163,'m^3/(mol*s)'), n=2.44476, w0=(333.5,'kJ/mol'), E0=(39.4201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 83, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(166.338,'m^3/(mol*s)'), n=1.61513, w0=(333.5,'kJ/mol'), E0=(65.3964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1055158357731126, var=0.004902529338873087, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.40548283496361637"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.40548283496361637""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.40548283496361637 +""", +) + +entry( + index = 84, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2CS-R", + kinetics = ArrheniusBM(A=(126,'m^3/(mol*s)'), n=1.63, w0=(333.5,'kJ/mol'), E0=(62.5825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 85, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(45.45,'m^3/(mol*s)'), n=1.71, w0=(333.5,'kJ/mol'), E0=(71.9837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_5R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 86, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(205.9,'m^3/(mol*s)'), n=1.596, w0=(333.5,'kJ/mol'), E0=(63.5936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-1COS-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 87, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(454.238,'m^3/(mol*s)'), n=1.60239, w0=(333.5,'kJ/mol'), E0=(50.1933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09503728994883634, var=4.9375774905114405, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 4.693440897330133"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 4.693440897330133""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 4.693440897330133 +""", +) + +entry( + index = 88, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1020.43,'m^3/(mol*s)'), n=1.51234, w0=(333.5,'kJ/mol'), E0=(50.1933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08797594653728344, var=6.974501284715509, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 5.515406311754668"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.515406311754668""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.515406311754668 +""", +) + +entry( + index = 89, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(3248.75,'m^3/(mol*s)'), n=1.37828, w0=(333.5,'kJ/mol'), E0=(29.0979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010822056045657216, var=6.936684737590294, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 17 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 5.307179488935656"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 5.307179488935656""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 5.307179488935656 +""", +) + +entry( + index = 90, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(3098.62,'m^3/(mol*s)'), n=1.40914, w0=(333.5,'kJ/mol'), E0=(27.2012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04439235602520031, var=9.893701200116034, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 6.417283296357146"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 6.417283296357146""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 6.417283296357146 +""", +) + +entry( + index = 91, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R", + kinetics = ArrheniusBM(A=(1991.68,'m^3/(mol*s)'), n=1.40317, w0=(333.5,'kJ/mol'), E0=(42.4248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0756399086174496, var=4.045106986545222, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R + Total Standard Deviation in ln(k): 4.222063689777256"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 4.222063689777256""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 4.222063689777256 +""", +) + +entry( + index = 92, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(393363,'m^3/(mol*s)'), n=0.693021, w0=(333.5,'kJ/mol'), E0=(53.2653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013274236046453575, var=10.162269496271428, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.424109925368823"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.424109925368823""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.424109925368823 +""", +) + +entry( + index = 93, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Int-6R!H-2CS", + kinetics = ArrheniusBM(A=(1.84793e+13,'m^3/(mol*s)'), n=-1.54883, w0=(333.5,'kJ/mol'), E0=(53.6609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Int-6R!H-2CS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Int-6R!H-2CS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Int-6R!H-2CS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Int-6R!H-2CS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 94, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.1829,'m^3/(mol*s)'), n=2.14835, w0=(333.5,'kJ/mol'), E0=(42.9286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1995017703280495, var=0.8528912446964959, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.3526758978276985"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3526758978276985""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3526758978276985 +""", +) + +entry( + index = 95, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(193,'m^3/(mol*s)'), n=1.6, w0=(333.5,'kJ/mol'), E0=(70.1394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 96, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(9.4041,'m^3/(mol*s)'), n=2.14772, w0=(333.5,'kJ/mol'), E0=(35.665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08398131432238995, var=4.590130915993855, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing + Total Standard Deviation in ln(k): 4.506071200050917"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing +Total Standard Deviation in ln(k): 4.506071200050917""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing +Total Standard Deviation in ln(k): 4.506071200050917 +""", +) + +entry( + index = 97, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(616.5,'m^3/(mol*s)'), n=1.533, w0=(333.5,'kJ/mol'), E0=(64.8112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 98, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1650,'m^3/(mol*s)'), n=1.48, w0=(333.5,'kJ/mol'), E0=(58.8963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-2CS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 99, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(231864,'m^3/(mol*s)'), n=1.06588, w0=(333.5,'kJ/mol'), E0=(-2.23163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6101621570061453, var=37.044777263177394, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 16.247337506146007"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 16.247337506146007""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 16.247337506146007 +""", +) + +entry( + index = 100, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(8.53738e+07,'m^3/(mol*s)'), n=0.131395, w0=(333.5,'kJ/mol'), E0=(92.2808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07214262035240998, var=17.47518388865108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 8.561723040980526"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 8.561723040980526""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 8.561723040980526 +""", +) + +entry( + index = 101, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(193,'m^3/(mol*s)'), n=1.6, w0=(333.5,'kJ/mol'), E0=(72.6297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 102, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(5.07468e+09,'m^3/(mol*s)'), n=-0.0341635, w0=(333.5,'kJ/mol'), E0=(43.7944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Ext-4R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 103, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(172.975,'m^3/(mol*s)'), n=1.68933, w0=(333.5,'kJ/mol'), E0=(43.1243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24100806809596992, var=4.897460433336752, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 5.042068050151986"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 5.042068050151986""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 5.042068050151986 +""", +) + +entry( + index = 104, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R", + kinetics = ArrheniusBM(A=(10815.1,'m^3/(mol*s)'), n=0.944578, w0=(333.5,'kJ/mol'), E0=(12.6991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09843715356535583, var=9.891180880285262, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R + Total Standard Deviation in ln(k): 6.552271031604497"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 6.552271031604497""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 6.552271031604497 +""", +) + +entry( + index = 105, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_Sp-6R!H-=5R!H", + kinetics = ArrheniusBM(A=(230446,'m^3/(mol*s)'), n=0.654707, w0=(333.5,'kJ/mol'), E0=(40.5361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_Sp-6R!H-=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_Sp-6R!H-=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 106, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_N-Sp-6R!H-=5R!H", + kinetics = ArrheniusBM(A=(507.567,'m^3/(mol*s)'), n=1.23445, w0=(333.5,'kJ/mol'), E0=(49.1888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_N-Sp-6R!H-=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_N-Sp-6R!H-=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_N-Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-2CS-R_N-Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 107, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(294.552,'m^3/(mol*s)'), n=1.82029, w0=(333.5,'kJ/mol'), E0=(40.896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 108, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(606.219,'m^3/(mol*s)'), n=1.71571, w0=(333.5,'kJ/mol'), E0=(42.618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_Sp-4R!H-1COS_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 109, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(1.82116e+06,'m^3/(mol*s)'), n=0.653799, w0=(333.5,'kJ/mol'), E0=(78.9718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H-5R!H_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 110, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1090.54,'m^3/(mol*s)'), n=1.09894, w0=(333.5,'kJ/mol'), E0=(71.9407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 111, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.53714,'m^3/(mol*s)'), n=2.32905, w0=(333.5,'kJ/mol'), E0=(26.5209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.015350652311676958, var=0.006503997552278654, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.2002460805653654"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.2002460805653654""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.2002460805653654 +""", +) + +entry( + index = 112, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-2CS-R", + kinetics = ArrheniusBM(A=(6.10362,'m^3/(mol*s)'), n=2.13572, w0=(333.5,'kJ/mol'), E0=(29.3356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-2CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-2CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 113, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.199398,'m^3/(mol*s)'), n=2.57994, w0=(333.5,'kJ/mol'), E0=(36.2078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06841130523015043, var=3.13815260511523, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 3.7232421421718054"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.7232421421718054""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.7232421421718054 +""", +) + +entry( + index = 114, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R", + kinetics = ArrheniusBM(A=(0.109331,'m^3/(mol*s)'), n=2.65368, w0=(333.5,'kJ/mol'), E0=(26.6004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08784186125773924, var=4.382158668911414, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R + Total Standard Deviation in ln(k): 4.417341650785101"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 4.417341650785101""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 4.417341650785101 +""", +) + +entry( + index = 115, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H", + kinetics = ArrheniusBM(A=(3.4464,'m^3/(mol*s)'), n=2.20227, w0=(333.5,'kJ/mol'), E0=(40.8001,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22118497607272644, var=3.2238314552009792, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H + Total Standard Deviation in ln(k): 4.155249232855674"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 4.155249232855674""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H +Total Standard Deviation in ln(k): 4.155249232855674 +""", +) + +entry( + index = 116, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-2CS-R", + kinetics = ArrheniusBM(A=(60.1788,'m^3/(mol*s)'), n=2.0054, w0=(333.5,'kJ/mol'), E0=(31.1369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-2CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-2CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 117, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.02195e+10,'m^3/(mol*s)'), n=-0.634657, w0=(333.5,'kJ/mol'), E0=(80.2832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3225854487326257, var=1.0308395071813152, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.8459290750965858"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.8459290750965858""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.8459290750965858 +""", +) + +entry( + index = 118, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.20348e+09,'m^3/(mol*s)'), n=-0.255132, w0=(333.5,'kJ/mol'), E0=(75.26,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47319142714758294, var=1.4020674061471725, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.562708483894588"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.562708483894588""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.562708483894588 +""", +) + +entry( + index = 119, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_Sp-8R!H-6R!H", + kinetics = ArrheniusBM(A=(590.4,'m^3/(mol*s)'), n=1.534, w0=(333.5,'kJ/mol'), E0=(60.4743,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_Sp-8R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_Sp-8R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_Sp-8R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_Sp-8R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 120, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H", + kinetics = ArrheniusBM(A=(1038.51,'m^3/(mol*s)'), n=1.49158, w0=(333.5,'kJ/mol'), E0=(39.3896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04776517619894945, var=0.03363631482338401, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H + Total Standard Deviation in ln(k): 0.48768554416190074"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H +Total Standard Deviation in ln(k): 0.48768554416190074""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H +Total Standard Deviation in ln(k): 0.48768554416190074 +""", +) + +entry( + index = 121, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(115.398,'m^3/(mol*s)'), n=1.8613, w0=(333.5,'kJ/mol'), E0=(52.8894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 122, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(179555,'m^3/(mol*s)'), n=0.754103, w0=(333.5,'kJ/mol'), E0=(39.9842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-4R!H-R_Ext-6R!H-R_N-Sp-8R!H-6R!H_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 123, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.84194e+06,'m^3/(mol*s)'), n=0.475965, w0=(333.5,'kJ/mol'), E0=(74.7528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6472030255863406, var=11.199660394168319, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 8.33516334975508"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.33516334975508""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 8.33516334975508 +""", +) + +entry( + index = 124, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(4025,'m^3/(mol*s)'), n=1.52, w0=(333.5,'kJ/mol'), E0=(57.6733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 125, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.319248,'m^3/(mol*s)'), n=2.40679, w0=(333.5,'kJ/mol'), E0=(24.8863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7872416918326862, var=6.070990363825921, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 6.917537095392846"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.917537095392846""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 6.917537095392846 +""", +) + +entry( + index = 126, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(470.5,'m^3/(mol*s)'), n=1.57, w0=(333.5,'kJ/mol'), E0=(47.49,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-6R!H-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 127, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(23.7857,'m^3/(mol*s)'), n=1.99186, w0=(333.5,'kJ/mol'), E0=(39.0598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Int-6R!H-5R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 128, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0311641,'m^3/(mol*s)'), n=2.69058, w0=(333.5,'kJ/mol'), E0=(74.004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-2CS-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 129, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(3.49011e+11,'m^3/(mol*s)'), n=-0.896677, w0=(322,'kJ/mol'), E0=(113.884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11851216654033607, var=1.2169138425585264, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 2.509269065855245"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.509269065855245""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.509269065855245 +""", +) + +entry( + index = 130, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(9.99689e+07,'m^3/(mol*s)'), n=0.167027, w0=(322,'kJ/mol'), E0=(78.93,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3743334300836507, var=0.2803891443365308, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 2.0020792472060287"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.0020792472060287""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.0020792472060287 +""", +) + +entry( + index = 131, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Int-6R!H-1COS", + kinetics = ArrheniusBM(A=(9.99689e+07,'m^3/(mol*s)'), n=0.167027, w0=(322,'kJ/mol'), E0=(99.838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Int-6R!H-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Int-6R!H-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Int-6R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Int-6R!H-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 132, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(828968,'m^3/(mol*s)'), n=0.674107, w0=(322,'kJ/mol'), E0=(83.8355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13307239388758652, var=0.04672106149141568, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 0.7676773437302333"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 0.7676773437302333""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 0.7676773437302333 +""", +) + +entry( + index = 133, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(188005,'m^3/(mol*s)'), n=0.853956, w0=(322,'kJ/mol'), E0=(78.1853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_1COS-inRing_N-Sp-2CS=1CCOSS_Ext-2CS-R_Ext-4R!H-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 134, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing", + kinetics = ArrheniusBM(A=(2.1151e+13,'m^3/(mol*s)'), n=-1.28725, w0=(333.5,'kJ/mol'), E0=(107.218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8071673659342286, var=4.706031419784894, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing + Total Standard Deviation in ln(k): 6.377008568382708"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing +Total Standard Deviation in ln(k): 6.377008568382708""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing +Total Standard Deviation in ln(k): 6.377008568382708 +""", +) + +entry( + index = 135, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R", + kinetics = ArrheniusBM(A=(215.744,'m^3/(mol*s)'), n=2.17202, w0=(333.5,'kJ/mol'), E0=(55.8195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09221331513092547, var=1.8426235893498626, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R + Total Standard Deviation in ln(k): 2.9529847355638226"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R +Total Standard Deviation in ln(k): 2.9529847355638226""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R +Total Standard Deviation in ln(k): 2.9529847355638226 +""", +) + +entry( + index = 136, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R_Ext-2CS-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.95429e+08,'m^3/(mol*s)'), n=0.162333, w0=(333.5,'kJ/mol'), E0=(70.9971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R_Ext-2CS-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R_Ext-2CS-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R_Ext-2CS-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-1COS-R_Ext-2CS-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 137, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R", + kinetics = ArrheniusBM(A=(263546,'m^3/(mol*s)'), n=0.808364, w0=(333.5,'kJ/mol'), E0=(48.9118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1425070982765346, var=18.41389811603253, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R + Total Standard Deviation in ln(k): 11.473223377792339"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 11.473223377792339""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R +Total Standard Deviation in ln(k): 11.473223377792339 +""", +) + +entry( + index = 138, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.35981e+07,'m^3/(mol*s)'), n=0.393776, w0=(333.5,'kJ/mol'), E0=(49.8577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1753532171126487, var=2.0094569141295064, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.2824044831238806"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.2824044831238806""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.2824044831238806 +""", +) + +entry( + index = 139, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5634.25,'m^3/(mol*s)'), n=1.60916, w0=(333.5,'kJ/mol'), E0=(50.2584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_2CS-inRing_N-Sp-2CS-=1CCOSS_N-1COS-inRing_Ext-2CS-R_Ext-4R!H-R_Ext-2CS-R_Ext-6R!H-R_Ext-5R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 140, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing", + kinetics = ArrheniusBM(A=(654239,'m^3/(mol*s)'), n=0.636872, w0=(335.443,'kJ/mol'), E0=(87.6364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0939337393167872, var=14.160597010974524, Tref=1000.0, N=288, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing',), comment="""BM rule fitted to 288 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing + Total Standard Deviation in ln(k): 10.2925093410798"""), + rank = 11, + shortDesc = """BM rule fitted to 288 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing +Total Standard Deviation in ln(k): 10.2925093410798""", + longDesc = +""" +BM rule fitted to 288 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing +Total Standard Deviation in ln(k): 10.2925093410798 +""", +) + +entry( + index = 141, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.116824,'m^3/(mol*s)'), n=2.54254, w0=(332.25,'kJ/mol'), E0=(47.01,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003577186007152742, var=3.311410968454398, Tref=1000.0, N=232, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R',), comment="""BM rule fitted to 232 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R + Total Standard Deviation in ln(k): 3.6570609942279697"""), + rank = 11, + shortDesc = """BM rule fitted to 232 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R +Total Standard Deviation in ln(k): 3.6570609942279697""", + longDesc = +""" +BM rule fitted to 232 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R +Total Standard Deviation in ln(k): 3.6570609942279697 +""", +) + +entry( + index = 142, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0323346,'m^3/(mol*s)'), n=2.68919, w0=(332.515,'kJ/mol'), E0=(47.0103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025687837170048033, var=1.2024136139240966, Tref=1000.0, N=201, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing',), comment="""BM rule fitted to 201 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.262826976879069"""), + rank = 11, + shortDesc = """BM rule fitted to 201 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.262826976879069""", + longDesc = +""" +BM rule fitted to 201 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.262826976879069 +""", +) + +entry( + index = 143, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0", + kinetics = ArrheniusBM(A=(0.0317097,'m^3/(mol*s)'), n=2.69193, w0=(332.505,'kJ/mol'), E0=(47.0104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02638351801464579, var=1.2041797846323272, Tref=1000.0, N=199, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0',), comment="""BM rule fitted to 199 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 + Total Standard Deviation in ln(k): 2.266188806497571"""), + rank = 11, + shortDesc = """BM rule fitted to 199 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 +Total Standard Deviation in ln(k): 2.266188806497571""", + longDesc = +""" +BM rule fitted to 199 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0 +Total Standard Deviation in ln(k): 2.266188806497571 +""", +) + +entry( + index = 144, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R", + kinetics = ArrheniusBM(A=(0.0258302,'m^3/(mol*s)'), n=2.73711, w0=(332.503,'kJ/mol'), E0=(42.1601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08795972339107135, var=1.5622314743460337, Tref=1000.0, N=150, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R',), comment="""BM rule fitted to 150 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R + Total Standard Deviation in ln(k): 2.726707838499695"""), + rank = 11, + shortDesc = """BM rule fitted to 150 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R +Total Standard Deviation in ln(k): 2.726707838499695""", + longDesc = +""" +BM rule fitted to 150 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R +Total Standard Deviation in ln(k): 2.726707838499695 +""", +) + +entry( + index = 145, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(0.0105854,'m^3/(mol*s)'), n=2.83441, w0=(333.5,'kJ/mol'), E0=(42.2299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08645238580111063, var=1.6128220978191399, Tref=1000.0, N=137, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 137 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 2.7631691117742134"""), + rank = 11, + shortDesc = """BM rule fitted to 137 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.7631691117742134""", + longDesc = +""" +BM rule fitted to 137 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.7631691117742134 +""", +) + +entry( + index = 146, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00507252,'m^3/(mol*s)'), n=2.88378, w0=(333.5,'kJ/mol'), E0=(35.4483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06917305323778924, var=0.819115183836444, Tref=1000.0, N=123, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing',), comment="""BM rule fitted to 123 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.9881867701679323"""), + rank = 11, + shortDesc = """BM rule fitted to 123 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.9881867701679323""", + longDesc = +""" +BM rule fitted to 123 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.9881867701679323 +""", +) + +entry( + index = 147, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS", + kinetics = ArrheniusBM(A=(2.18599,'m^3/(mol*s)'), n=2.09886, w0=(333.5,'kJ/mol'), E0=(46.9195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020567443735397595, var=1.0626053141426195, Tref=1000.0, N=111, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS',), comment="""BM rule fitted to 111 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS + Total Standard Deviation in ln(k): 2.1182130222580335"""), + rank = 11, + shortDesc = """BM rule fitted to 111 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS +Total Standard Deviation in ln(k): 2.1182130222580335""", + longDesc = +""" +BM rule fitted to 111 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS +Total Standard Deviation in ln(k): 2.1182130222580335 +""", +) + +entry( + index = 148, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R", + kinetics = ArrheniusBM(A=(50675.7,'m^3/(mol*s)'), n=0.856706, w0=(333.5,'kJ/mol'), E0=(73.0122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3149223058909152, var=1.98898808922157, Tref=1000.0, N=74, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R',), comment="""BM rule fitted to 74 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R + Total Standard Deviation in ln(k): 3.6185698054460076"""), + rank = 11, + shortDesc = """BM rule fitted to 74 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R +Total Standard Deviation in ln(k): 3.6185698054460076""", + longDesc = +""" +BM rule fitted to 74 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R +Total Standard Deviation in ln(k): 3.6185698054460076 +""", +) + +entry( + index = 149, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C", + kinetics = ArrheniusBM(A=(5044.61,'m^3/(mol*s)'), n=1.1237, w0=(333.5,'kJ/mol'), E0=(71.0724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3880697569809388, var=1.973452184862822, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C',), comment="""BM rule fitted to 72 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C + Total Standard Deviation in ln(k): 3.7912937318976274"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C +Total Standard Deviation in ln(k): 3.7912937318976274""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C +Total Standard Deviation in ln(k): 3.7912937318976274 +""", +) + +entry( + index = 150, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.5638,'m^3/(mol*s)'), n=2.15126, w0=(333.5,'kJ/mol'), E0=(49.8586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.011156747167314194, var=0.6692187606977494, Tref=1000.0, N=50, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R',), comment="""BM rule fitted to 50 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.668021435895933"""), + rank = 11, + shortDesc = """BM rule fitted to 50 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.668021435895933""", + longDesc = +""" +BM rule fitted to 50 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.668021435895933 +""", +) + +entry( + index = 151, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H", + kinetics = ArrheniusBM(A=(0.167133,'m^3/(mol*s)'), n=2.40777, w0=(333.5,'kJ/mol'), E0=(34.2963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07217829256603851, var=0.5837932261810552, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H',), comment="""BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H + Total Standard Deviation in ln(k): 1.713097648392976"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.713097648392976""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.713097648392976 +""", +) + +entry( + index = 152, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.26279,'m^3/(mol*s)'), n=2.3235, w0=(333.5,'kJ/mol'), E0=(34.6951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06431043947313517, var=0.6296904476025504, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.752402185849318"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.752402185849318""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.752402185849318 +""", +) + +entry( + index = 153, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.644972,'m^3/(mol*s)'), n=2.14424, w0=(333.5,'kJ/mol'), E0=(48.6871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06343023390917764, var=0.5853091812777333, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.6931050786602062"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6931050786602062""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.6931050786602062 +""", +) + +entry( + index = 154, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.300688,'m^3/(mol*s)'), n=2.25318, w0=(333.5,'kJ/mol'), E0=(44.4793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04366358592280284, var=0.6049957826164456, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R + Total Standard Deviation in ln(k): 1.6690200118772278"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.6690200118772278""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.6690200118772278 +""", +) + +entry( + index = 155, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C", + kinetics = ArrheniusBM(A=(20.9262,'m^3/(mol*s)'), n=1.73049, w0=(333.5,'kJ/mol'), E0=(58.2877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08415526194743374, var=0.6433765290585677, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C + Total Standard Deviation in ln(k): 1.819458532217171"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C +Total Standard Deviation in ln(k): 1.819458532217171""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C +Total Standard Deviation in ln(k): 1.819458532217171 +""", +) + +entry( + index = 156, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.137559,'m^3/(mol*s)'), n=2.34727, w0=(333.5,'kJ/mol'), E0=(39.1462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03688381110225965, var=0.19338116283441545, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 0.9742576506029769"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.9742576506029769""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.9742576506029769 +""", +) + +entry( + index = 157, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0470979,'m^3/(mol*s)'), n=2.49164, w0=(333.5,'kJ/mol'), E0=(44.6948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19355869229370698, var=0.26759297364442447, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.5233655889158548"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.5233655889158548""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.5233655889158548 +""", +) + +entry( + index = 158, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(44.1,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(62.1996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 159, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(44.3,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.9741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 160, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C", + kinetics = ArrheniusBM(A=(1.64597,'m^3/(mol*s)'), n=2.03466, w0=(333.5,'kJ/mol'), E0=(56.4184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3174532431851784, var=1.5855726091282374, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C + Total Standard Deviation in ln(k): 3.3219740464720866"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C +Total Standard Deviation in ln(k): 3.3219740464720866""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C +Total Standard Deviation in ln(k): 3.3219740464720866 +""", +) + +entry( + index = 161, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0439432,'m^3/(mol*s)'), n=2.47208, w0=(333.5,'kJ/mol'), E0=(51.7925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20677591740648624, var=0.19791127615608964, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.4113883893263885"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4113883893263885""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4113883893263885 +""", +) + +entry( + index = 162, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(41.4,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.2691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 163, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(1213.17,'m^3/(mol*s)'), n=1.14514, w0=(333.5,'kJ/mol'), E0=(72.223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18205419308935747, var=1.4903481523618192, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 2.9047994934973884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.9047994934973884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.9047994934973884 +""", +) + +entry( + index = 164, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(22,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(70.6662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 165, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(23.5,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(54.5569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 166, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(10.0529,'m^3/(mol*s)'), n=1.93775, w0=(333.5,'kJ/mol'), E0=(53.8479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11747547224171709, var=0.6100703025094851, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.861002875619272"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.861002875619272""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.861002875619272 +""", +) + +entry( + index = 167, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.52896,'m^3/(mol*s)'), n=2.18622, w0=(333.5,'kJ/mol'), E0=(49.5826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.110335670668667, var=0.5759065370458141, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R + Total Standard Deviation in ln(k): 1.7985888063183637"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.7985888063183637""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.7985888063183637 +""", +) + +entry( + index = 168, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C", + kinetics = ArrheniusBM(A=(6573.72,'m^3/(mol*s)'), n=1.15055, w0=(333.5,'kJ/mol'), E0=(63.7636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29396645470332, var=0.3040117449053404, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C + Total Standard Deviation in ln(k): 1.8439651761956062"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C +Total Standard Deviation in ln(k): 1.8439651761956062""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C +Total Standard Deviation in ln(k): 1.8439651761956062 +""", +) + +entry( + index = 169, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(140.572,'m^3/(mol*s)'), n=1.62075, w0=(333.5,'kJ/mol'), E0=(58.829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23549517682903634, var=0.0005858530144171164, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 0.640219835352644"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.640219835352644""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.640219835352644 +""", +) + +entry( + index = 170, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(124.826,'m^3/(mol*s)'), n=1.64648, w0=(333.5,'kJ/mol'), E0=(59.7101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24088232244172422, var=0.00048352628306134375, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 0.6493145487854582"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.6493145487854582""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.6493145487854582 +""", +) + +entry( + index = 171, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(131,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(59.7876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 172, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(132,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(59.8108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 173, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C", + kinetics = ArrheniusBM(A=(0.377485,'m^3/(mol*s)'), n=2.35313, w0=(333.5,'kJ/mol'), E0=(49.5608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31088345641657134, var=1.5953990274391017, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C + Total Standard Deviation in ln(k): 3.313277167286434"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C +Total Standard Deviation in ln(k): 3.313277167286434""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C +Total Standard Deviation in ln(k): 3.313277167286434 +""", +) + +entry( + index = 174, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0272808,'m^3/(mol*s)'), n=2.6681, w0=(333.5,'kJ/mol'), E0=(48.3629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17893865298547634, var=0.42542482412645866, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.757175009446642"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.757175009446642""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.757175009446642 +""", +) + +entry( + index = 175, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(123,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(64.6102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 176, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(2347.03,'m^3/(mol*s)'), n=1.19844, w0=(333.5,'kJ/mol'), E0=(68.4564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19199431324859917, var=1.4874640192867297, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 2.92740543179034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.92740543179034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.92740543179034 +""", +) + +entry( + index = 177, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(65.3,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(67.6403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 178, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(69.8,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(55.3015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 179, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.715351,'m^3/(mol*s)'), n=2.2969, w0=(333.5,'kJ/mol'), E0=(51.1255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03165877535114901, var=0.49550123076116437, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R + Total Standard Deviation in ln(k): 1.4907147362567212"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.4907147362567212""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.4907147362567212 +""", +) + +entry( + index = 180, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C", + kinetics = ArrheniusBM(A=(0.0727898,'m^3/(mol*s)'), n=2.58654, w0=(333.5,'kJ/mol'), E0=(37.2569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040338357340225756, var=0.7180612968372199, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C + Total Standard Deviation in ln(k): 1.8001350412339594"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C +Total Standard Deviation in ln(k): 1.8001350412339594""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C +Total Standard Deviation in ln(k): 1.8001350412339594 +""", +) + +entry( + index = 181, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0181281,'m^3/(mol*s)'), n=2.75119, w0=(333.5,'kJ/mol'), E0=(29.7185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06325200588364276, var=0.3039681777108759, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.2642014256257679"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.2642014256257679""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.2642014256257679 +""", +) + +entry( + index = 182, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00620061,'m^3/(mol*s)'), n=2.89556, w0=(333.5,'kJ/mol'), E0=(39.6731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09652673774904841, var=0.7063842476483961, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.9274425355036282"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.9274425355036282""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.9274425355036282 +""", +) + +entry( + index = 183, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(149,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(62.4943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 184, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(150,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(70.728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 185, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C", + kinetics = ArrheniusBM(A=(1487.01,'m^3/(mol*s)'), n=1.33925, w0=(333.5,'kJ/mol'), E0=(68.736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17037888796358638, var=0.9044527845542369, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C + Total Standard Deviation in ln(k): 2.3346452976778798"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C +Total Standard Deviation in ln(k): 2.3346452976778798""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C +Total Standard Deviation in ln(k): 2.3346452976778798 +""", +) + +entry( + index = 186, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(25.2168,'m^3/(mol*s)'), n=1.83298, w0=(333.5,'kJ/mol'), E0=(65.1497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11862078872265024, var=0.004490745913036954, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 0.4323855504642113"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.4323855504642113""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.4323855504642113 +""", +) + +entry( + index = 187, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(140,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 188, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(3183.79,'m^3/(mol*s)'), n=1.17679, w0=(333.5,'kJ/mol'), E0=(69.142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12750281044237669, var=1.4788302588272997, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 2.7582603143230853"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.7582603143230853""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.7582603143230853 +""", +) + +entry( + index = 189, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(74.4,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(67.914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 190, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(79.6,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(56.4244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 191, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H", + kinetics = ArrheniusBM(A=(5.23236,'m^3/(mol*s)'), n=2.03483, w0=(333.5,'kJ/mol'), E0=(53.1744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04763332793080679, var=0.4453627074510224, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H',), comment="""BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H + Total Standard Deviation in ln(k): 1.4575517232056172"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.4575517232056172""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H +Total Standard Deviation in ln(k): 1.4575517232056172 +""", +) + +entry( + index = 192, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.69467,'m^3/(mol*s)'), n=2.04766, w0=(333.5,'kJ/mol'), E0=(54.9108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010358468114634282, var=0.5934965383846011, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.5704486755226892"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5704486755226892""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5704486755226892 +""", +) + +entry( + index = 193, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.50021,'m^3/(mol*s)'), n=2.21948, w0=(333.5,'kJ/mol'), E0=(54.9108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03748541521718916, var=0.5721768191183846, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R + Total Standard Deviation in ln(k): 1.6106135919933033"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 1.6106135919933033""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R +Total Standard Deviation in ln(k): 1.6106135919933033 +""", +) + +entry( + index = 194, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C", + kinetics = ArrheniusBM(A=(18775.7,'m^3/(mol*s)'), n=1.03218, w0=(333.5,'kJ/mol'), E0=(72.4257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14602926515557058, var=0.3253155626215746, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C + Total Standard Deviation in ln(k): 1.510337245285235"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C +Total Standard Deviation in ln(k): 1.510337245285235""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C +Total Standard Deviation in ln(k): 1.510337245285235 +""", +) + +entry( + index = 195, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(345.29,'m^3/(mol*s)'), n=1.52095, w0=(333.5,'kJ/mol'), E0=(66.4702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09693403687590019, var=0.004797131111238037, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 0.38240346377922024"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.38240346377922024""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 0.38240346377922024 +""", +) + +entry( + index = 196, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(279.47,'m^3/(mol*s)'), n=1.55835, w0=(333.5,'kJ/mol'), E0=(67.5421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08261924566075562, var=0.01111120591129459, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 0.41890457751457627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.41890457751457627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.41890457751457627 +""", +) + +entry( + index = 197, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(65.5901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 198, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(66.6885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 199, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C", + kinetics = ArrheniusBM(A=(9.7965,'m^3/(mol*s)'), n=1.96035, w0=(333.5,'kJ/mol'), E0=(60.9167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2500667795606027, var=1.385059952336602, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C + Total Standard Deviation in ln(k): 2.9876525374856633"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C +Total Standard Deviation in ln(k): 2.9876525374856633""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C +Total Standard Deviation in ln(k): 2.9876525374856633 +""", +) + +entry( + index = 200, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.218057,'m^3/(mol*s)'), n=2.4206, w0=(333.5,'kJ/mol'), E0=(55.6381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05156772026250363, var=0.19007003371790354, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.003571931349786"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.003571931349786""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.003571931349786 +""", +) + +entry( + index = 201, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(136,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(72.1204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-4C-R_N-Sp-9R!H=4C_Ext-1COS-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 202, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R", + kinetics = ArrheniusBM(A=(4155.8,'m^3/(mol*s)'), n=1.1397, w0=(333.5,'kJ/mol'), E0=(75.8959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06485017748385857, var=1.6673615525668988, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R + Total Standard Deviation in ln(k): 2.751581474954914"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 2.751581474954914""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R +Total Standard Deviation in ln(k): 2.751581474954914 +""", +) + +entry( + index = 203, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(72.1,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(74.2262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 204, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(77.1,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(56.3539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-6R!H-R_Ext-1COS-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 205, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.147667,'m^3/(mol*s)'), n=2.49426, w0=(333.5,'kJ/mol'), E0=(40.884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006494181792768528, var=0.500786648777466, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R + Total Standard Deviation in ln(k): 1.434993492359329"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.434993492359329""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R +Total Standard Deviation in ln(k): 1.434993492359329 +""", +) + +entry( + index = 206, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C", + kinetics = ArrheniusBM(A=(0.20324,'m^3/(mol*s)'), n=2.46001, w0=(333.5,'kJ/mol'), E0=(33.1034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06508458146175702, var=0.7556440500010247, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C + Total Standard Deviation in ln(k): 1.9062009771880715"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C +Total Standard Deviation in ln(k): 1.9062009771880715""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C +Total Standard Deviation in ln(k): 1.9062009771880715 +""", +) + +entry( + index = 207, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0505968,'m^3/(mol*s)'), n=2.62466, w0=(333.5,'kJ/mol'), E0=(37.8894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08579694337019873, var=0.3283143636286039, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.3642578046537697"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.3642578046537697""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.3642578046537697 +""", +) + +entry( + index = 208, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0173142,'m^3/(mol*s)'), n=2.76903, w0=(333.5,'kJ/mol'), E0=(31.5772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19332860708490196, var=0.6355683973501293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.0839760671398064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.0839760671398064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.0839760671398064 +""", +) + +entry( + index = 209, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(151,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(59.7538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 210, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(151,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.0293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 211, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C", + kinetics = ArrheniusBM(A=(8.78651,'m^3/(mol*s)'), n=1.97871, w0=(333.5,'kJ/mol'), E0=(57.0112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2544477704421302, var=1.2334328190930315, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C + Total Standard Deviation in ln(k): 2.865775197442451"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C +Total Standard Deviation in ln(k): 2.865775197442451""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C +Total Standard Deviation in ln(k): 2.865775197442451 +""", +) + +entry( + index = 212, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.7137,'m^3/(mol*s)'), n=2.27761, w0=(333.5,'kJ/mol'), E0=(56.4082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19783714256344653, var=0.06739049602456204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.017501048756627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.017501048756627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.017501048756627 +""", +) + +entry( + index = 213, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(141,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(66.4041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-4C-R_N-Sp-8R!H=4C_Ext-1COS-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 214, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(1930.31,'m^3/(mol*s)'), n=1.24018, w0=(333.5,'kJ/mol'), E0=(65.8732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18735684248207687, var=1.4421630437751756, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 2.8782340543120672"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.8782340543120672""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.8782340543120672 +""", +) + +entry( + index = 215, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(75.1,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(65.747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 216, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(80.3,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(53.2322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Ext-5R!H-R_N-Sp-7R!H#5R!H_Ext-1COS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 217, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS", + kinetics = ArrheniusBM(A=(0.0261165,'m^3/(mol*s)'), n=2.60242, w0=(333.5,'kJ/mol'), E0=(54.3058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.41576515709838824, var=4.040150371117425, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS',), comment="""BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS + Total Standard Deviation in ln(k): 5.074178698183996"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS +Total Standard Deviation in ln(k): 5.074178698183996""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS +Total Standard Deviation in ln(k): 5.074178698183996 +""", +) + +entry( + index = 218, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.000183305,'m^3/(mol*s)'), n=3.28175, w0=(333.5,'kJ/mol'), E0=(15.5554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1555662353478473, var=0.49352748268707025, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R',), comment="""BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.7992266256266112"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.7992266256266112""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.7992266256266112 +""", +) + +entry( + index = 219, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(4.83769,'m^3/(mol*s)'), n=2.04529, w0=(333.5,'kJ/mol'), E0=(49.7836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1817794913002547, var=0.1909168634808235, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.3326820228632301"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.3326820228632301""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.3326820228632301 +""", +) + +entry( + index = 220, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing", + kinetics = ArrheniusBM(A=(83.7,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(57.5167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 221, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.155192,'m^3/(mol*s)'), n=2.4817, w0=(333.5,'kJ/mol'), E0=(42.6619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08281770047243144, var=0.10292166253566112, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing + Total Standard Deviation in ln(k): 0.8512318784624611"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.8512318784624611""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.8512318784624611 +""", +) + +entry( + index = 222, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(0.0668562,'m^3/(mol*s)'), n=2.59659, w0=(333.5,'kJ/mol'), E0=(41.9424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10222965969156236, var=0.16824059615313783, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 1.079143480642298"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.079143480642298""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.079143480642298 +""", +) + +entry( + index = 223, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C", + kinetics = ArrheniusBM(A=(23.6527,'m^3/(mol*s)'), n=1.86556, w0=(333.5,'kJ/mol'), E0=(55.4703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27010894999924057, var=0.04817438730806469, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C + Total Standard Deviation in ln(k): 1.1186782796512311"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C +Total Standard Deviation in ln(k): 1.1186782796512311""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C +Total Standard Deviation in ln(k): 1.1186782796512311 +""", +) + +entry( + index = 224, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(24.0791,'m^3/(mol*s)'), n=1.87827, w0=(333.5,'kJ/mol'), E0=(57.4806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32167686467889217, var=0.02301863471891819, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.1123895958119443"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1123895958119443""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1123895958119443 +""", +) + +entry( + index = 225, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(169,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(61.7153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 226, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(158,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(59.1025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 227, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C", + kinetics = ArrheniusBM(A=(56.8734,'m^3/(mol*s)'), n=1.75834, w0=(333.5,'kJ/mol'), E0=(49.2769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2648472359903826, var=0.02782886759889551, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C + Total Standard Deviation in ln(k): 0.999874952974154"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C +Total Standard Deviation in ln(k): 0.999874952974154""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C +Total Standard Deviation in ln(k): 0.999874952974154 +""", +) + +entry( + index = 228, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(168,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(53.5246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-6R!H-inRing_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 229, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(51.4,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(77.184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 230, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(5.34406,'m^3/(mol*s)'), n=1.98063, w0=(333.5,'kJ/mol'), E0=(68.8958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1494487391697972, var=0.12538765312765424, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.0853784222301222"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.0853784222301222""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.0853784222301222 +""", +) + +entry( + index = 231, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(2.93864,'m^3/(mol*s)'), n=2.06516, w0=(333.5,'kJ/mol'), E0=(68.9,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1530594055109875, var=0.1692261172775076, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 1.209261287127336"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.209261287127336""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.209261287127336 +""", +) + +entry( + index = 232, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C", + kinetics = ArrheniusBM(A=(35.5173,'m^3/(mol*s)'), n=1.75435, w0=(333.5,'kJ/mol'), E0=(75.8129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20143544328981966, var=0.025058884202536356, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C + Total Standard Deviation in ln(k): 0.8234687302872903"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C +Total Standard Deviation in ln(k): 0.8234687302872903""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C +Total Standard Deviation in ln(k): 0.8234687302872903 +""", +) + +entry( + index = 233, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(27.3334,'m^3/(mol*s)'), n=1.80181, w0=(333.5,'kJ/mol'), E0=(77.0724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23953509742839582, var=0.020036579697307717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8856184834648888"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8856184834648888""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8856184834648888 +""", +) + +entry( + index = 234, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(104,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(80.2984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 235, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(96.8,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(77.8699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_Sp-8R!H#4C_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 236, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C", + kinetics = ArrheniusBM(A=(77.5272,'m^3/(mol*s)'), n=1.659, w0=(333.5,'kJ/mol'), E0=(69.7378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20035313804495875, var=0.0066471293954272976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C + Total Standard Deviation in ln(k): 0.6668457537514104"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C +Total Standard Deviation in ln(k): 0.6668457537514104""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C +Total Standard Deviation in ln(k): 0.6668457537514104 +""", +) + +entry( + index = 237, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(103,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(72.2173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_Ext-1COS-R_N-7R!H-inRing_Ext-4C-R_N-Sp-8R!H#4C_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 238, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing", + kinetics = ArrheniusBM(A=(12.9087,'m^3/(mol*s)'), n=1.91073, w0=(333.5,'kJ/mol'), E0=(61.4888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10913609174768214, var=0.06649197562332908, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing + Total Standard Deviation in ln(k): 0.7911530348471252"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing +Total Standard Deviation in ln(k): 0.7911530348471252""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing +Total Standard Deviation in ln(k): 0.7911530348471252 +""", +) + +entry( + index = 239, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.18803,'m^3/(mol*s)'), n=2.0903, w0=(333.5,'kJ/mol'), E0=(59.3957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1837544486348078, var=0.27928016693519575, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 1.5211362315979309"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.5211362315979309""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 1.5211362315979309 +""", +) + +entry( + index = 240, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(124,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(64.0664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_Sp-7R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 241, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(114,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.2783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 242, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(355777,'m^3/(mol*s)'), n=0.49983, w0=(333.5,'kJ/mol'), E0=(81.8898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.7454913769619407, var=21.31571571289488, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing + Total Standard Deviation in ln(k): 16.15387008584188"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing +Total Standard Deviation in ln(k): 16.15387008584188""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing +Total Standard Deviation in ln(k): 16.15387008584188 +""", +) + +entry( + index = 243, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(101234,'m^3/(mol*s)'), n=0.64578, w0=(333.5,'kJ/mol'), E0=(81.2612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.0120203869736617, var=23.077557404585352, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 17.198458581421235"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 17.198458581421235""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 17.198458581421235 +""", +) + +entry( + index = 244, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(306600,'m^3/(mol*s)'), n=0.481, w0=(333.5,'kJ/mol'), E0=(85.0456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 245, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(202,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(51.1804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Sp-7R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 246, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C", + kinetics = ArrheniusBM(A=(185,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(49.8196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_Sp-4C-1COS_N-6R!H-inRing_Ext-4C-R_N-Sp-7R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 247, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_N-Sp-4C-1COS", + kinetics = ArrheniusBM(A=(306,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(85.752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_N-Sp-4C-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_N-Sp-4C-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_4R!H->C_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 248, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(7.09572,'m^3/(mol*s)'), n=2.03221, w0=(333.5,'kJ/mol'), E0=(41.2089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053734944950677085, var=3.1017726857793777, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C + Total Standard Deviation in ln(k): 3.6657218181957454"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C +Total Standard Deviation in ln(k): 3.6657218181957454""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C +Total Standard Deviation in ln(k): 3.6657218181957454 +""", +) + +entry( + index = 249, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(70.704,'m^3/(mol*s)'), n=1.71182, w0=(333.5,'kJ/mol'), E0=(59.2067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C_Ext-1COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C_Ext-1COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_Ext-2CS-R_N-4R!H->C_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 250, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_4R!H->O", + kinetics = ArrheniusBM(A=(21820,'m^3/(mol*s)'), n=0.859, w0=(333.5,'kJ/mol'), E0=(47.2893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 251, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O", + kinetics = ArrheniusBM(A=(0.288144,'m^3/(mol*s)'), n=2.35948, w0=(333.5,'kJ/mol'), E0=(35.4008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08818174651602938, var=0.25012642018418074, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O',), comment="""BM rule fitted to 36 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O + Total Standard Deviation in ln(k): 1.224183122819034"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O +Total Standard Deviation in ln(k): 1.224183122819034""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O +Total Standard Deviation in ln(k): 1.224183122819034 +""", +) + +entry( + index = 252, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.35489,'m^3/(mol*s)'), n=2.14763, w0=(333.5,'kJ/mol'), E0=(36.5275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22132624170300447, var=0.24654008949797426, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R',), comment="""BM rule fitted to 22 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.551503253268218"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.551503253268218""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.551503253268218 +""", +) + +entry( + index = 253, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R", + kinetics = ArrheniusBM(A=(5.59527,'m^3/(mol*s)'), n=1.98388, w0=(333.5,'kJ/mol'), E0=(47.7787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06861493636168361, var=0.2536812265189036, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R',), comment="""BM rule fitted to 15 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R + Total Standard Deviation in ln(k): 1.1821197913890338"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R +Total Standard Deviation in ln(k): 1.1821197913890338""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R +Total Standard Deviation in ln(k): 1.1821197913890338 +""", +) + +entry( + index = 254, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl", + kinetics = ArrheniusBM(A=(8.80541,'m^3/(mol*s)'), n=1.92214, w0=(333.5,'kJ/mol'), E0=(47.0254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14695202620752562, var=0.19149176908863236, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl + Total Standard Deviation in ln(k): 1.246493705971109"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl +Total Standard Deviation in ln(k): 1.246493705971109""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl +Total Standard Deviation in ln(k): 1.246493705971109 +""", +) + +entry( + index = 255, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(23.969,'m^3/(mol*s)'), n=1.79185, w0=(333.5,'kJ/mol'), E0=(48.696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1482916569585394, var=0.10613198030249382, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.0256927638763782"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.0256927638763782""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.0256927638763782 +""", +) + +entry( + index = 256, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.01761,'m^3/(mol*s)'), n=2.74145, w0=(333.5,'kJ/mol'), E0=(27.883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08362736679780398, var=0.3389790745151559, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 1.3773140544138047"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.3773140544138047""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.3773140544138047 +""", +) + +entry( + index = 257, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00603239,'m^3/(mol*s)'), n=2.88583, w0=(333.5,'kJ/mol'), E0=(36.9092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1729947082240392, var=0.6833093873503123, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.0918248065958416"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0918248065958416""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0918248065958416 +""", +) + +entry( + index = 258, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(134,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(60.291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 259, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(135,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.5179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 260, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0228918,'m^3/(mol*s)'), n=2.71307, w0=(333.5,'kJ/mol'), E0=(39.2089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.050914097685964554, var=0.783677188912175, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.9026274957626206"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.9026274957626206""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.9026274957626206 +""", +) + +entry( + index = 261, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.00569657,'m^3/(mol*s)'), n=2.87772, w0=(333.5,'kJ/mol'), E0=(32.4653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08302882354878928, var=0.3706244629776467, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 1.4290764832696419"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4290764832696419""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4290764832696419 +""", +) + +entry( + index = 262, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00195045,'m^3/(mol*s)'), n=3.02209, w0=(333.5,'kJ/mol'), E0=(39.0228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17489794847636586, var=0.7362949060789211, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.1596577036107423"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1596577036107423""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1596577036107423 +""", +) + +entry( + index = 263, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(130,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(63.3387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 264, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(130,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(71.5344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 265, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl", + kinetics = ArrheniusBM(A=(3.72227,'m^3/(mol*s)'), n=2.06948, w0=(333.5,'kJ/mol'), E0=(57.954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15211669081533294, var=0.5516637502444228, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl + Total Standard Deviation in ln(k): 1.8712010792297686"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl +Total Standard Deviation in ln(k): 1.8712010792297686""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl +Total Standard Deviation in ln(k): 1.8712010792297686 +""", +) + +entry( + index = 266, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.667852,'m^3/(mol*s)'), n=2.28533, w0=(333.5,'kJ/mol'), E0=(52.6786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25112379235625565, var=1.3735217093431273, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.9804605376475655"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.9804605376475655""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.9804605376475655 +""", +) + +entry( + index = 267, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.113165,'m^3/(mol*s)'), n=2.49287, w0=(333.5,'kJ/mol'), E0=(53.877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18038285581601093, var=0.16001758207167582, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 1.2551613448112253"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.2551613448112253""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.2551613448112253 +""", +) + +entry( + index = 268, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(126,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(66.6856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 269, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(36.8763,'m^3/(mol*s)'), n=1.78206, w0=(333.5,'kJ/mol'), E0=(63.6521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23951241470436568, var=1.1270269284988204, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.7300473071200644"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.7300473071200644""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.7300473071200644 +""", +) + +entry( + index = 270, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(2.43921,'m^3/(mol*s)'), n=2.10671, w0=(333.5,'kJ/mol'), E0=(62.6806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19995092455147784, var=0.0571105686873387, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.98147719017425"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.98147719017425""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.98147719017425 +""", +) + +entry( + index = 271, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(122,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(69.5486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Ext-4CCl-R_N-Sp-7R!H=4CCClCl_N-Sp-6R!H=5R!H_Ext-1COS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 272, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(1.5833e+06,'m^3/(mol*s)'), n=0.418805, w0=(333.5,'kJ/mol'), E0=(78.3233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3193439750051502, var=1.4179729641474021, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.189583663048862"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.189583663048862""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.189583663048862 +""", +) + +entry( + index = 273, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(24164.1,'m^3/(mol*s)'), n=0.911574, w0=(333.5,'kJ/mol'), E0=(74.4142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15696771698472964, var=0.6115151546222047, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 1.9620827411819994"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.9620827411819994""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 1.9620827411819994 +""", +) + +entry( + index = 274, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(67,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(66.9771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 275, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(71.7,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(60.6704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 276, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(147.279,'m^3/(mol*s)'), n=1.56976, w0=(333.5,'kJ/mol'), E0=(65.4657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.46599743235833585, var=2.5170973889576413, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 4.3514327654651845"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 4.3514327654651845""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 4.3514327654651845 +""", +) + +entry( + index = 277, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(169.059,'m^3/(mol*s)'), n=1.52476, w0=(333.5,'kJ/mol'), E0=(70.3369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18096054156784339, var=0.03065133710562428, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.805654187737834"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.805654187737834""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.805654187737834 +""", +) + +entry( + index = 278, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(64.8,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.6249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 279, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(69.2,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.6085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1COS-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 280, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS", + kinetics = ArrheniusBM(A=(0.0579694,'m^3/(mol*s)'), n=2.57302, w0=(333.5,'kJ/mol'), E0=(27.1849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01164078162376979, var=0.9577230798162183, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS',), comment="""BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS + Total Standard Deviation in ln(k): 1.991148642038488"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS +Total Standard Deviation in ln(k): 1.991148642038488""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS +Total Standard Deviation in ln(k): 1.991148642038488 +""", +) + +entry( + index = 281, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C", + kinetics = ArrheniusBM(A=(10533.5,'m^3/(mol*s)'), n=1.06459, w0=(333.5,'kJ/mol'), E0=(57.7645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007589953031097, var=0.6407215038911771, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C + Total Standard Deviation in ln(k): 1.6237620561194293"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C +Total Standard Deviation in ln(k): 1.6237620561194293""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C +Total Standard Deviation in ln(k): 1.6237620561194293 +""", +) + +entry( + index = 282, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(17.9845,'m^3/(mol*s)'), n=1.86334, w0=(333.5,'kJ/mol'), E0=(56.2597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1902278183861709, var=0.15534266150127424, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R + Total Standard Deviation in ln(k): 1.268096271973771"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.268096271973771""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R +Total Standard Deviation in ln(k): 1.268096271973771 +""", +) + +entry( + index = 283, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(72.2,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(60.5975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 284, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(1.83923,'m^3/(mol*s)'), n=2.15546, w0=(333.5,'kJ/mol'), E0=(52.1468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14127963864083742, var=0.08062483588071083, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 0.92420872517624"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.92420872517624""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.92420872517624 +""", +) + +entry( + index = 285, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R", + kinetics = ArrheniusBM(A=(1.01709,'m^3/(mol*s)'), n=2.23926, w0=(333.5,'kJ/mol'), E0=(52.0025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15675520778670882, var=0.10944045341547598, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R + Total Standard Deviation in ln(k): 1.05705946483642"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R +Total Standard Deviation in ln(k): 1.05705946483642""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R +Total Standard Deviation in ln(k): 1.05705946483642 +""", +) + +entry( + index = 286, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl", + kinetics = ArrheniusBM(A=(20.7573,'m^3/(mol*s)'), n=1.86314, w0=(333.5,'kJ/mol'), E0=(57.8826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23228768208395772, var=0.058222962840451906, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl + Total Standard Deviation in ln(k): 1.0673686375095923"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl +Total Standard Deviation in ln(k): 1.0673686375095923""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl +Total Standard Deviation in ln(k): 1.0673686375095923 +""", +) + +entry( + index = 287, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(16.043,'m^3/(mol*s)'), n=1.90994, w0=(333.5,'kJ/mol'), E0=(59.315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2911188193213189, var=0.04360839941238546, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.1500956126304138"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.1500956126304138""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.1500956126304138 +""", +) + +entry( + index = 288, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(63.9445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 289, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(136,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(61.0668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_Sp-7R!H#4CCCClClCl_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 290, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl", + kinetics = ArrheniusBM(A=(0.00170657,'m^3/(mol*s)'), n=3.03567, w0=(333.5,'kJ/mol'), E0=(32.9147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18197783931407138, var=0.822575227677871, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl + Total Standard Deviation in ln(k): 2.275443936217785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl +Total Standard Deviation in ln(k): 2.275443936217785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl +Total Standard Deviation in ln(k): 2.275443936217785 +""", +) + +entry( + index = 291, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(145,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(55.7525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-1COS-R_N-6R!H-inRing_Ext-4CCl-R_N-Sp-7R!H#4CCCClClCl_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 292, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R", + kinetics = ArrheniusBM(A=(1528.64,'m^3/(mol*s)'), n=1.30013, w0=(333.5,'kJ/mol'), E0=(51.1593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051991626519172794, var=0.050895463934158426, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R + Total Standard Deviation in ln(k): 0.5829009226867728"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R +Total Standard Deviation in ln(k): 0.5829009226867728""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R +Total Standard Deviation in ln(k): 0.5829009226867728 +""", +) + +entry( + index = 293, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_Sp-6R!H=4CCClCl", + kinetics = ArrheniusBM(A=(174,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(48.2939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_Sp-6R!H=4CCClCl',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_Sp-6R!H=4CCClCl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_Sp-6R!H=4CCClCl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_Sp-6R!H=4CCClCl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 294, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl", + kinetics = ArrheniusBM(A=(6531.76,'m^3/(mol*s)'), n=1.11533, w0=(333.5,'kJ/mol'), E0=(53.6439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05436079868881756, var=0.05901623039690775, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl + Total Standard Deviation in ln(k): 0.6236003527698352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl +Total Standard Deviation in ln(k): 0.6236003527698352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl +Total Standard Deviation in ln(k): 0.6236003527698352 +""", +) + +entry( + index = 295, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl_Ext-4CCl-R", + kinetics = ArrheniusBM(A=(8892,'m^3/(mol*s)'), n=1.073, w0=(333.5,'kJ/mol'), E0=(53.7313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl_Ext-4CCl-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl_Ext-4CCl-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl_Ext-4CCl-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_5R!H->C_Ext-4CCl-R_N-Sp-6R!H=4CCClCl_Ext-4CCl-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 296, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_N-5R!H->C", + kinetics = ArrheniusBM(A=(372,'m^3/(mol*s)'), n=1.477, w0=(333.5,'kJ/mol'), E0=(51.4569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_Sp-4CCl-1CCClOS_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 297, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_N-Sp-4CCl-1CCClOS", + kinetics = ArrheniusBM(A=(546,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(92.9973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_N-Sp-4CCl-1CCClOS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_N-Sp-4CCl-1CCClOS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_N-Sp-4CCl-1CCClOS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_Sp-5R!H-2CS_N-4R!H->O_N-Sp-4CCl-1CCClOS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 298, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS", + kinetics = ArrheniusBM(A=(4.7698e-05,'m^3/(mol*s)'), n=3.50443, w0=(333.5,'kJ/mol'), E0=(38.9002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1710730160484305, var=0.169866296243597, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS + Total Standard Deviation in ln(k): 1.2560800352399721"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS +Total Standard Deviation in ln(k): 1.2560800352399721""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS +Total Standard Deviation in ln(k): 1.2560800352399721 +""", +) + +entry( + index = 299, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(0.296016,'m^3/(mol*s)'), n=2.36777, w0=(333.5,'kJ/mol'), E0=(50.7362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1084748591603159, var=0.5872085620069725, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 1.808769063313202"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.808769063313202""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.808769063313202 +""", +) + +entry( + index = 300, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00953011,'m^3/(mol*s)'), n=2.80948, w0=(333.5,'kJ/mol'), E0=(44.3164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10062712378793011, var=0.6066372814239708, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.814258440526527"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.814258440526527""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.814258440526527 +""", +) + +entry( + index = 301, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(1306.26,'m^3/(mol*s)'), n=1.34286, w0=(333.5,'kJ/mol'), E0=(60.3783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2935929756704599, var=0.2435564102543282, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 1.7270363148753116"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 1.7270363148753116""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 1.7270363148753116 +""", +) + +entry( + index = 302, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(58.9142,'m^3/(mol*s)'), n=1.72001, w0=(333.5,'kJ/mol'), E0=(57.1359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2675934934080712, var=0.0038470988293168424, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 0.796689124980167"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.796689124980167""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 0.796689124980167 +""", +) + +entry( + index = 303, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(52.911,'m^3/(mol*s)'), n=1.74446, w0=(333.5,'kJ/mol'), E0=(57.7178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31435191790848077, var=0.01731626911353984, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.0536346259107092"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0536346259107092""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0536346259107092 +""", +) + +entry( + index = 304, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(122,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(59.4973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 305, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(123,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(58.2917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 306, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00594739,'m^3/(mol*s)'), n=2.86123, w0=(333.5,'kJ/mol'), E0=(47.2268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2779200861886376, var=1.6522143348846914, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 3.2751478659392945"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 3.2751478659392945""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 3.2751478659392945 +""", +) + +entry( + index = 307, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(1.91905e-05,'m^3/(mol*s)'), n=3.56163, w0=(333.5,'kJ/mol'), E0=(38.1539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2081933962573252, var=1.209330187488209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 2.7276971241046675"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.7276971241046675""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 2.7276971241046675 +""", +) + +entry( + index = 308, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(115,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(62.5363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H_Ext-1COS-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 309, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(813.963,'m^3/(mol*s)'), n=1.32154, w0=(333.5,'kJ/mol'), E0=(66.4146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2202603329630852, var=1.5104782261982235, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R + Total Standard Deviation in ln(k): 3.017267693488146"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.017267693488146""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.017267693488146 +""", +) + +entry( + index = 310, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(60.9,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(66.8723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 311, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(65.1,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(58.2398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_Sp-4R!H-1COS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 312, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(250.718,'m^3/(mol*s)'), n=1.58173, w0=(333.5,'kJ/mol'), E0=(88.7261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11050568571666801, var=0.1532882622515541, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 1.0625472549844623"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.0625472549844623""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-5R!H-inRing_N-Sp-5R!H-2CS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 1.0625472549844623 +""", +) + +entry( + index = 313, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(3.5583,'m^3/(mol*s)'), n=1.88826, w0=(333.5,'kJ/mol'), E0=(71.2556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1831270023006083, var=0.22387763800033114, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.4086727247720303"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4086727247720303""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.4086727247720303 +""", +) + +entry( + index = 314, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.960941,'m^3/(mol*s)'), n=2.06966, w0=(333.5,'kJ/mol'), E0=(69.343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17405772371907527, var=0.1848269229493527, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.2991966815782638"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2991966815782638""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2991966815782638 +""", +) + +entry( + index = 315, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H", + kinetics = ArrheniusBM(A=(9.52778,'m^3/(mol*s)'), n=1.78333, w0=(333.5,'kJ/mol'), E0=(75.7158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21781899671723165, var=0.03376624777490177, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H + Total Standard Deviation in ln(k): 0.9156659024369639"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 0.9156659024369639""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 0.9156659024369639 +""", +) + +entry( + index = 316, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.6926,'m^3/(mol*s)'), n=1.84199, w0=(333.5,'kJ/mol'), E0=(76.8122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2595564289796009, var=0.03997850171141154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.052991086671672"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.052991086671672""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.052991086671672 +""", +) + +entry( + index = 317, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(35.1,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(80.6131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 318, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(32.8,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(77.8323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_Sp-7R!H#4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 319, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H", + kinetics = ArrheniusBM(A=(26.5612,'m^3/(mol*s)'), n=1.65795, w0=(333.5,'kJ/mol'), E0=(70.0851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2213252749115398, var=0.006880452722184413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H + Total Standard Deviation in ln(k): 0.7223834118847468"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 0.7223834118847468""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H +Total Standard Deviation in ln(k): 0.7223834118847468 +""", +) + +entry( + index = 320, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(35,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(72.4605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_Ext-4R!H-R_N-Sp-7R!H#4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 321, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(17.4,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(77.2828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 322, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(18.7,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(69.3826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 323, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(2.29456e+07,'m^3/(mol*s)'), n=0.259221, w0=(333.5,'kJ/mol'), E0=(69.1168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13738421726863304, var=9.864404022739764, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS + Total Standard Deviation in ln(k): 6.641587997555796"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.641587997555796""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS +Total Standard Deviation in ln(k): 6.641587997555796 +""", +) + +entry( + index = 324, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(21.5535,'m^3/(mol*s)'), n=1.92144, w0=(333.5,'kJ/mol'), E0=(50.8681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.1171515837276864, var=12.055350918005502, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R + Total Standard Deviation in ln(k): 12.280080197226654"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 12.280080197226654""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 12.280080197226654 +""", +) + +entry( + index = 325, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(42,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(65.3861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 326, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(3.9855,'m^3/(mol*s)'), n=2.13759, w0=(333.5,'kJ/mol'), E0=(45.5254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.377409354394814, var=13.637212496070243, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 13.376595641466816"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 13.376595641466816""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_Sp-4R!H-1COS_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 13.376595641466816 +""", +) + +entry( + index = 327, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS", + kinetics = ArrheniusBM(A=(0.00210652,'m^3/(mol*s)'), n=3.15777, w0=(333.5,'kJ/mol'), E0=(45.6294,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1232795832798579, var=1.519012726029558, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS + Total Standard Deviation in ln(k): 2.780548282145261"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 2.780548282145261""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS +Total Standard Deviation in ln(k): 2.780548282145261 +""", +) + +entry( + index = 328, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1149,'m^3/(mol*s)'), n=1.595, w0=(333.5,'kJ/mol'), E0=(93.3938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_Sp-2CS=1CCOSS_N-Sp-4R!H-1COS_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 329, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(1.09821,'m^3/(mol*s)'), n=2.35236, w0=(322,'kJ/mol'), E0=(46.2647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05618336314301443, var=1.1588019545399308, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 2.2992147074127445"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.2992147074127445""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.2992147074127445 +""", +) + +entry( + index = 330, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00543077,'m^3/(mol*s)'), n=2.99747, w0=(322,'kJ/mol'), E0=(35.4799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.048185607202432416, var=3.6052507601351893, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing + Total Standard Deviation in ln(k): 3.927559669456578"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing +Total Standard Deviation in ln(k): 3.927559669456578""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing +Total Standard Deviation in ln(k): 3.927559669456578 +""", +) + +entry( + index = 331, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(678.6,'m^3/(mol*s)'), n=1.533, w0=(322,'kJ/mol'), E0=(73.3347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 332, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(4.33867,'m^3/(mol*s)'), n=2.19362, w0=(322,'kJ/mol'), E0=(26.0277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06844077581000951, var=0.3638466441031446, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.381211971454499"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.381211971454499""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.381211971454499 +""", +) + +entry( + index = 333, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.4877,'m^3/(mol*s)'), n=2.11793, w0=(322,'kJ/mol'), E0=(0.155223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045099889808428134, var=0.3919695530410143, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.3684302551316838"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3684302551316838""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3684302551316838 +""", +) + +entry( + index = 334, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(3.09775,'m^3/(mol*s)'), n=2.29331, w0=(322,'kJ/mol'), E0=(66.5949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026817522371529425, var=1.0202809465556006, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.0923427088434483"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.0923427088434483""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.0923427088434483 +""", +) + +entry( + index = 335, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(32.1821,'m^3/(mol*s)'), n=1.98586, w0=(322,'kJ/mol'), E0=(72.8398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09820311823598284, var=1.7223752841567619, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.8777417074041716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.8777417074041716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.8777417074041716 +""", +) + +entry( + index = 336, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(290,'m^3/(mol*s)'), n=1.64, w0=(322,'kJ/mol'), E0=(76.2576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 337, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(927,'m^3/(mol*s)'), n=1.64, w0=(322,'kJ/mol'), E0=(79.1088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 338, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(10.8869,'m^3/(mol*s)'), n=2.06837, w0=(322,'kJ/mol'), E0=(4.85144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012984286287768347, var=0.42775789296846467, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.3437847821205113"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.3437847821205113""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.3437847821205113 +""", +) + +entry( + index = 339, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(13377.8,'m^3/(mol*s)'), n=1.17777, w0=(322,'kJ/mol'), E0=(59.8022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17825247325570026, var=0.16288917660431, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.2569722166843311"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2569722166843311""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2569722166843311 +""", +) + +entry( + index = 340, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1591.59,'m^3/(mol*s)'), n=1.43285, w0=(322,'kJ/mol'), E0=(54.8644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08370166497121634, var=0.09549781644781677, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8298233784033154"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8298233784033154""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8298233784033154 +""", +) + +entry( + index = 341, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H", + kinetics = ArrheniusBM(A=(1282.72,'m^3/(mol*s)'), n=1.462, w0=(322,'kJ/mol'), E0=(52.6185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 342, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H", + kinetics = ArrheniusBM(A=(1216.47,'m^3/(mol*s)'), n=1.464, w0=(322,'kJ/mol'), E0=(55.9229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Ext-7R!H-R_N-Sp-7R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 343, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(2160,'m^3/(mol*s)'), n=1.64, w0=(322,'kJ/mol'), E0=(71.8159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 344, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(6900,'m^3/(mol*s)'), n=1.64, w0=(322,'kJ/mol'), E0=(76.9697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 345, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(8.20497e-06,'m^3/(mol*s)'), n=3.9954, w0=(322,'kJ/mol'), E0=(26.1809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09777629351321006, var=5.466234009032739, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.932735406710734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.932735406710734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.932735406710734 +""", +) + +entry( + index = 346, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(763,'m^3/(mol*s)'), n=1.64, w0=(322,'kJ/mol'), E0=(72.5221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 347, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(2440,'m^3/(mol*s)'), n=1.64, w0=(322,'kJ/mol'), E0=(66.2493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_Ext-2CS-R_N-Sp-2CS=1CCOSS_N-5R!H-inRing_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 348, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_4R!H->N", + kinetics = ArrheniusBM(A=(31.41,'m^3/(mol*s)'), n=1.767, w0=(333.5,'kJ/mol'), E0=(57.7051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_4R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_4R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_4R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 349, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N", + kinetics = ArrheniusBM(A=(0.0160607,'m^3/(mol*s)'), n=2.76542, w0=(332.49,'kJ/mol'), E0=(47.0103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0310699695717989, var=1.0771541526582535, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N',), comment="""BM rule fitted to 48 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N + Total Standard Deviation in ln(k): 2.158700344225953"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 2.158700344225953""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N +Total Standard Deviation in ln(k): 2.158700344225953 +""", +) + +entry( + index = 350, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R", + kinetics = ArrheniusBM(A=(14.5331,'m^3/(mol*s)'), n=1.91208, w0=(328.677,'kJ/mol'), E0=(60.9502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09965831364078638, var=0.7187178541582308, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R',), comment="""BM rule fitted to 31 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R + Total Standard Deviation in ln(k): 1.9499566185592772"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R +Total Standard Deviation in ln(k): 1.9499566185592772""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R +Total Standard Deviation in ln(k): 1.9499566185592772 +""", +) + +entry( + index = 351, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS", + kinetics = ArrheniusBM(A=(1068.12,'m^3/(mol*s)'), n=1.34908, w0=(329.318,'kJ/mol'), E0=(59.282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01828010636322289, var=0.6457489734820555, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS + Total Standard Deviation in ln(k): 1.6569051039056133"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS +Total Standard Deviation in ln(k): 1.6569051039056133""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS +Total Standard Deviation in ln(k): 1.6569051039056133 +""", +) + +entry( + index = 352, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R", + kinetics = ArrheniusBM(A=(0.00113562,'m^3/(mol*s)'), n=3.11329, w0=(327.75,'kJ/mol'), E0=(35.7895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2085890168746385, var=1.9323991269195282, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R + Total Standard Deviation in ln(k): 3.3108904651673883"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R +Total Standard Deviation in ln(k): 3.3108904651673883""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R +Total Standard Deviation in ln(k): 3.3108904651673883 +""", +) + +entry( + index = 353, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS", + kinetics = ArrheniusBM(A=(22.785,'m^3/(mol*s)'), n=1.84735, w0=(329.667,'kJ/mol'), E0=(65.4537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2364442503798854, var=2.6394824742839527, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS + Total Standard Deviation in ln(k): 3.851070698274311"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS +Total Standard Deviation in ln(k): 3.851070698274311""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS +Total Standard Deviation in ln(k): 3.851070698274311 +""", +) + +entry( + index = 354, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.0669551,'m^3/(mol*s)'), n=2.54656, w0=(333.5,'kJ/mol'), E0=(62.6557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1077981769076305, var=2.950945618823199, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R + Total Standard Deviation in ln(k): 3.714647080506879"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.714647080506879""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.714647080506879 +""", +) + +entry( + index = 355, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_7R!H->F", + kinetics = ArrheniusBM(A=(45.0881,'m^3/(mol*s)'), n=1.74121, w0=(333.5,'kJ/mol'), E0=(65.983,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_7R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_7R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 356, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_N-7R!H->F", + kinetics = ArrheniusBM(A=(25.122,'m^3/(mol*s)'), n=1.804, w0=(333.5,'kJ/mol'), E0=(78.8781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_N-7R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_N-7R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_N-7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_Sp-6R!H-4CClOS_Ext-1COS-R_N-7R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 357, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_N-Sp-6R!H-4CClOS", + kinetics = ArrheniusBM(A=(1348.96,'m^3/(mol*s)'), n=1.432, w0=(322,'kJ/mol'), E0=(62.0539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_N-Sp-6R!H-4CClOS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_N-Sp-6R!H-4CClOS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_N-Sp-6R!H-4CClOS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_Ext-4CClOS-R_N-Sp-6R!H-4CClOS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 358, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing", + kinetics = ArrheniusBM(A=(26.9024,'m^3/(mol*s)'), n=1.94554, w0=(327.75,'kJ/mol'), E0=(59.8989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0878027462508298, var=0.07903978568884991, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing + Total Standard Deviation in ln(k): 0.7842214418000175"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing +Total Standard Deviation in ln(k): 0.7842214418000175""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing +Total Standard Deviation in ln(k): 0.7842214418000175 +""", +) + +entry( + index = 359, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(0.0601915,'m^3/(mol*s)'), n=2.70867, w0=(333.5,'kJ/mol'), E0=(46.938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 360, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(22760,'m^3/(mol*s)'), n=1.103, w0=(322,'kJ/mol'), E0=(71.6351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_5R!H-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 361, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(2.04069e+13,'m^3/(mol*s)'), n=-1.73587, w0=(331.2,'kJ/mol'), E0=(82.3282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25332886560000645, var=0.07336016325817137, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.1794888143143276"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.1794888143143276""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.1794888143143276 +""", +) + +entry( + index = 362, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.54564e+13,'m^3/(mol*s)'), n=-1.69255, w0=(329.667,'kJ/mol'), E0=(82.8698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31366218895995984, var=0.1810364114561303, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.641078126952117"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.641078126952117""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.641078126952117 +""", +) + +entry( + index = 363, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(3.68706e+22,'m^3/(mol*s)'), n=-4.56653, w0=(333.5,'kJ/mol'), E0=(98.3559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23436359975141804, var=0.013647226894766704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 0.8230491159376407"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 0.8230491159376407""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 0.8230491159376407 +""", +) + +entry( + index = 364, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.08158e+21,'m^3/(mol*s)'), n=-4.30708, w0=(333.5,'kJ/mol'), E0=(96.1154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_Sp-2CS=1CCOSS_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 365, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(1108.07,'m^3/(mol*s)'), n=1.405, w0=(322,'kJ/mol'), E0=(63.0254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_Ext-5R!H-R_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 366, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_5R!H->C", + kinetics = ArrheniusBM(A=(3.53376e+24,'m^3/(mol*s)'), n=-5.13718, w0=(333.5,'kJ/mol'), E0=(104.686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 367, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_N-5R!H->C", + kinetics = ArrheniusBM(A=(173,'m^3/(mol*s)'), n=1.583, w0=(333.5,'kJ/mol'), E0=(52.5817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_Sp-5R!H-4CClOS_N-5R!H-inRing_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 368, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS", + kinetics = ArrheniusBM(A=(0.0535081,'m^3/(mol*s)'), n=2.62147, w0=(328.325,'kJ/mol'), E0=(55.5138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08696418902386278, var=0.7169981519354973, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS',), comment="""BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS + Total Standard Deviation in ln(k): 1.9160273173642735"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS +Total Standard Deviation in ln(k): 1.9160273173642735""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS +Total Standard Deviation in ln(k): 1.9160273173642735 +""", +) + +entry( + index = 369, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS", + kinetics = ArrheniusBM(A=(17.6303,'m^3/(mol*s)'), n=1.89847, w0=(328.053,'kJ/mol'), E0=(63.9018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1566789146834623, var=0.6337692910917246, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS',), comment="""BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS + Total Standard Deviation in ln(k): 1.9896277573958854"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS +Total Standard Deviation in ln(k): 1.9896277573958854""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS +Total Standard Deviation in ln(k): 1.9896277573958854 +""", +) + +entry( + index = 370, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(9129.09,'m^3/(mol*s)'), n=1.12468, w0=(333.5,'kJ/mol'), E0=(70.6279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22907828806831376, var=0.32526355019920594, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 1.7189117208839406"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 1.7189117208839406""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 1.7189117208839406 +""", +) + +entry( + index = 371, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS", + kinetics = ArrheniusBM(A=(0.000216213,'m^3/(mol*s)'), n=3.29826, w0=(333.5,'kJ/mol'), E0=(26.4814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02158166639280058, var=0.8466995369935014, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS + Total Standard Deviation in ln(k): 1.8989078892986702"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 1.8989078892986702""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 1.8989078892986702 +""", +) + +entry( + index = 372, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(5.43864e-05,'m^3/(mol*s)'), n=3.4617, w0=(333.5,'kJ/mol'), E0=(28.6892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07430626670285198, var=0.49629782305332476, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.5990031150167259"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.5990031150167259""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.5990031150167259 +""", +) + +entry( + index = 373, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.86165e-05,'m^3/(mol*s)'), n=3.60607, w0=(333.5,'kJ/mol'), E0=(25.3258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12163465560733125, var=1.3723874621401027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.654140646479741"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.654140646479741""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.654140646479741 +""", +) + +entry( + index = 374, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(135,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(58.4509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 375, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(136,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(67.0861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-1COS-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 376, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS", + kinetics = ArrheniusBM(A=(11344.9,'m^3/(mol*s)'), n=1.09786, w0=(333.5,'kJ/mol'), E0=(71.0435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22595635512580883, var=0.3246111061617238, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS + Total Standard Deviation in ln(k): 1.7099203853859628"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 1.7099203853859628""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 1.7099203853859628 +""", +) + +entry( + index = 377, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(227.559,'m^3/(mol*s)'), n=1.55677, w0=(333.5,'kJ/mol'), E0=(72.3184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7546157813896834, var=0.705148640623042, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R + Total Standard Deviation in ln(k): 3.5794583253326575"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.5794583253326575""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R +Total Standard Deviation in ln(k): 3.5794583253326575 +""", +) + +entry( + index = 378, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(108.1,'m^3/(mol*s)'), n=1.65, w0=(333.5,'kJ/mol'), E0=(71.8212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 379, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(6.05472,'m^3/(mol*s)'), n=1.99843, w0=(333.5,'kJ/mol'), E0=(59.6964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2617932024665238, var=0.10061049693452982, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.29365694747041"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.29365694747041""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.29365694747041 +""", +) + +entry( + index = 380, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(127,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(64.0481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS_Ext-1COS-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 381, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(5.52829,'m^3/(mol*s)'), n=2.04031, w0=(322,'kJ/mol'), E0=(63.488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16350149428180621, var=0.9963740285492313, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 2.411904995207086"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.411904995207086""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.411904995207086 +""", +) + +entry( + index = 382, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS", + kinetics = ArrheniusBM(A=(39.6776,'m^3/(mol*s)'), n=1.78535, w0=(322,'kJ/mol'), E0=(66.8498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.192594646204086, var=0.9925619795587625, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS + Total Standard Deviation in ln(k): 2.4811716778100656"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 2.4811716778100656""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 2.4811716778100656 +""", +) + +entry( + index = 383, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(13256.1,'m^3/(mol*s)'), n=1.05422, w0=(322,'kJ/mol'), E0=(68.3283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20840053173521625, var=1.3015431440900205, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.810725324386018"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.810725324386018""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.810725324386018 +""", +) + +entry( + index = 384, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(163.057,'m^3/(mol*s)'), n=1.56225, w0=(322,'kJ/mol'), E0=(64.3434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15740167574589384, var=4.366726402330732, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 4.584719077539033"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 4.584719077539033""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 4.584719077539033 +""", +) + +entry( + index = 385, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(883.068,'m^3/(mol*s)'), n=1.4305, w0=(322,'kJ/mol'), E0=(61.5961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15436657113150817, var=0.6354461605064902, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.9859278062161478"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9859278062161478""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9859278062161478 +""", +) + +entry( + index = 386, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(918.377,'m^3/(mol*s)'), n=1.43, w0=(322,'kJ/mol'), E0=(58.3835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 387, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(849.122,'m^3/(mol*s)'), n=1.431, w0=(322,'kJ/mol'), E0=(64.6678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_Sp-5R!H=4CClOS_Ext-5R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 388, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS", + kinetics = ArrheniusBM(A=(3871.2,'m^3/(mol*s)'), n=1.31535, w0=(322,'kJ/mol'), E0=(69.4775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3380648595577567, var=2.7464524297689175, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS + Total Standard Deviation in ln(k): 6.684304014688528"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 6.684304014688528""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_Sp-4CClOS-1CCClOOSS_N-Sp-2CS=1CCOSS_N-Sp-5R!H=4CClOS +Total Standard Deviation in ln(k): 6.684304014688528 +""", +) + +entry( + index = 389, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_N-Sp-4CClOS-1CCClOOSS", + kinetics = ArrheniusBM(A=(527.8,'m^3/(mol*s)'), n=1.505, w0=(333.5,'kJ/mol'), E0=(85.2272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_N-Sp-4CClOS-1CCClOOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_N-Sp-4CClOS-1CCClOOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_N-Sp-4CClOS-1CCClOOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_Ext-4CClOS-R_N-Sp-5R!H-4CClOS_N-Sp-4CClOS-1CCClOOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 390, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C", + kinetics = ArrheniusBM(A=(474.745,'m^3/(mol*s)'), n=1.44881, w0=(337.808,'kJ/mol'), E0=(47.4233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20555826607146088, var=3.6102678737292964, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C',), comment="""BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C + Total Standard Deviation in ln(k): 4.3256160198468185"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C +Total Standard Deviation in ln(k): 4.3256160198468185""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C +Total Standard Deviation in ln(k): 4.3256160198468185 +""", +) + +entry( + index = 391, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C", + kinetics = ArrheniusBM(A=(464497,'m^3/(mol*s)'), n=0.582322, w0=(332.35,'kJ/mol'), E0=(67.9724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19562869772265312, var=0.6825330346471659, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C + Total Standard Deviation in ln(k): 2.147752452509695"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C +Total Standard Deviation in ln(k): 2.147752452509695""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C +Total Standard Deviation in ln(k): 2.147752452509695 +""", +) + +entry( + index = 392, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS", + kinetics = ArrheniusBM(A=(427815,'m^3/(mol*s)'), n=0.588986, w0=(333.5,'kJ/mol'), E0=(67.8261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18509328515618464, var=0.6641377968276426, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS + Total Standard Deviation in ln(k): 2.098810338894582"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS +Total Standard Deviation in ln(k): 2.098810338894582""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS +Total Standard Deviation in ln(k): 2.098810338894582 +""", +) + +entry( + index = 393, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS", + kinetics = ArrheniusBM(A=(2.72224e+06,'m^3/(mol*s)'), n=0.355863, w0=(333.5,'kJ/mol'), E0=(70.0564,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22436214809846988, var=0.7335802794327497, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS + Total Standard Deviation in ln(k): 2.2807655746951245"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS +Total Standard Deviation in ln(k): 2.2807655746951245""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS +Total Standard Deviation in ln(k): 2.2807655746951245 +""", +) + +entry( + index = 394, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R", + kinetics = ArrheniusBM(A=(6.34237,'m^3/(mol*s)'), n=2.05558, w0=(333.5,'kJ/mol'), E0=(59.4592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23022016116873564, var=0.46222678179127447, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R + Total Standard Deviation in ln(k): 1.9414071089634288"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.9414071089634288""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R +Total Standard Deviation in ln(k): 1.9414071089634288 +""", +) + +entry( + index = 395, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.418374,'m^3/(mol*s)'), n=2.43882, w0=(333.5,'kJ/mol'), E0=(60.9818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6279616248108103, var=1.2032418756103413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing + Total Standard Deviation in ln(k): 3.7768346943206836"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.7768346943206836""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.7768346943206836 +""", +) + +entry( + index = 396, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(402.785,'m^3/(mol*s)'), n=1.45822, w0=(333.5,'kJ/mol'), E0=(55.5124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.041400095876062075, var=0.09000987188171249, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 0.7054738478901902"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 0.7054738478901902""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_Sp-4C-1COS_Ext-1COS-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 0.7054738478901902 +""", +) + +entry( + index = 397, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS", + kinetics = ArrheniusBM(A=(442,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(84.8636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_Sp-2C=1COS_N-Sp-4C-1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 398, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_N-Sp-2C=1COS", + kinetics = ArrheniusBM(A=(692,'m^3/(mol*s)'), n=1.64, w0=(322,'kJ/mol'), E0=(61.2223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_N-Sp-2C=1COS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_N-Sp-2C=1COS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_N-Sp-2C=1COS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_2CS->C_N-Sp-2C=1COS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 399, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C", + kinetics = ArrheniusBM(A=(18966.9,'m^3/(mol*s)'), n=1.004, w0=(356,'kJ/mol'), E0=(31.5031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2131513074943112, var=1.6127178797443864, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C + Total Standard Deviation in ln(k): 5.593988665998397"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C +Total Standard Deviation in ln(k): 5.593988665998397""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C +Total Standard Deviation in ln(k): 5.593988665998397 +""", +) + +entry( + index = 400, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R", + kinetics = ArrheniusBM(A=(172603,'m^3/(mol*s)'), n=0.653119, w0=(356,'kJ/mol'), E0=(22.5613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.563901130839417, var=19.945873261130064, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R + Total Standard Deviation in ln(k): 17.90783329362431"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R +Total Standard Deviation in ln(k): 17.90783329362431""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R +Total Standard Deviation in ln(k): 17.90783329362431 +""", +) + +entry( + index = 401, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_5R!H->O", + kinetics = ArrheniusBM(A=(277548,'m^3/(mol*s)'), n=0.596819, w0=(356,'kJ/mol'), E0=(21.8018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 402, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(1.62e+07,'m^3/(mol*s)'), n=-3.23407e-08, w0=(356,'kJ/mol'), E0=(75.8397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_4CClOS->C_N-2CS->C_Ext-1COS-R_N-5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 403, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C", + kinetics = ArrheniusBM(A=(2.82066e-06,'m^3/(mol*s)'), n=3.94648, w0=(344.75,'kJ/mol'), E0=(31.6656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20819803320810815, var=1.2625398620285129, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C + Total Standard Deviation in ln(k): 2.7756870835847427"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C +Total Standard Deviation in ln(k): 2.7756870835847427""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C +Total Standard Deviation in ln(k): 2.7756870835847427 +""", +) + +entry( + index = 404, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS", + kinetics = ArrheniusBM(A=(0.00275767,'m^3/(mol*s)'), n=3.03734, w0=(344.75,'kJ/mol'), E0=(23.4755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02952443565077769, var=2.3831508485186474, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS + Total Standard Deviation in ln(k): 3.1689831949084883"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS +Total Standard Deviation in ln(k): 3.1689831949084883""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS +Total Standard Deviation in ln(k): 3.1689831949084883 +""", +) + +entry( + index = 405, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_2CS->C", + kinetics = ArrheniusBM(A=(57.4364,'m^3/(mol*s)'), n=1.76515, w0=(333.5,'kJ/mol'), E0=(60.6838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 406, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_N-2CS->C", + kinetics = ArrheniusBM(A=(279,'m^3/(mol*s)'), n=1.63, w0=(356,'kJ/mol'), E0=(54.7816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_Sp-4ClOS-1CClOOSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 407, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS", + kinetics = ArrheniusBM(A=(1.74949e-07,'m^3/(mol*s)'), n=4.31901, w0=(344.75,'kJ/mol'), E0=(37.6529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5445471322841859, var=2.3750816554872998, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS + Total Standard Deviation in ln(k): 4.457766230983266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS +Total Standard Deviation in ln(k): 4.457766230983266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS +Total Standard Deviation in ln(k): 4.457766230983266 +""", +) + +entry( + index = 408, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_2CS->C", + kinetics = ArrheniusBM(A=(1987.31,'m^3/(mol*s)'), n=1.43, w0=(333.5,'kJ/mol'), E0=(80.6817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 409, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_N-2CS->C", + kinetics = ArrheniusBM(A=(5020,'m^3/(mol*s)'), n=1.34, w0=(356,'kJ/mol'), E0=(72.0985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_4R!H-u0_N-4R!H->N_N-4CClOS->C_N-Sp-4ClOS-1CClOOSS_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 410, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0", + kinetics = ArrheniusBM(A=(3.42473,'m^3/(mol*s)'), n=1.96132, w0=(333.5,'kJ/mol'), E0=(42.32,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5331743407065859, var=0.22554232610039152, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 + Total Standard Deviation in ln(k): 2.291708705267606"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 +Total Standard Deviation in ln(k): 2.291708705267606""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0 +Total Standard Deviation in ln(k): 2.291708705267606 +""", +) + +entry( + index = 411, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2CS-R", + kinetics = ArrheniusBM(A=(10.8,'m^3/(mol*s)'), n=1.84, w0=(333.5,'kJ/mol'), E0=(43.1937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_N-4R!H-inRing_N-4R!H-u0_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 412, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(3.93996e+07,'m^3/(mol*s)'), n=0.137976, w0=(330.625,'kJ/mol'), E0=(25.2734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9386177588763543, var=34.43835254975493, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 14.122963372927817"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 14.122963372927817""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 14.122963372927817 +""", +) + +entry( + index = 413, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(8.42983,'m^3/(mol*s)'), n=1.92039, w0=(333.5,'kJ/mol'), E0=(26.0824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021512250841106063, var=1.4639131859069563, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 2.4796255628792556"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.4796255628792556""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 2.4796255628792556 +""", +) + +entry( + index = 414, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(94.3222,'m^3/(mol*s)'), n=1.63477, w0=(333.5,'kJ/mol'), E0=(21.7344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03453767223327206, var=1.0374848742831646, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.1287411076349767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1287411076349767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1287411076349767 +""", +) + +entry( + index = 415, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing", + kinetics = ArrheniusBM(A=(352470,'m^3/(mol*s)'), n=0.501577, w0=(333.5,'kJ/mol'), E0=(21.8212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 416, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing", + kinetics = ArrheniusBM(A=(301,'m^3/(mol*s)'), n=1.6, w0=(333.5,'kJ/mol'), E0=(57.7624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_N-1COS-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 417, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(6.29124e+14,'m^3/(mol*s)'), n=-1.78703, w0=(322,'kJ/mol'), E0=(3.22,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_Sp-5R!H-4R!H_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 418, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(2.72614e+06,'m^3/(mol*s)'), n=0.458903, w0=(330.519,'kJ/mol'), E0=(78.8869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2811629208454953, var=4.267929636550775, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 27 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 4.84801530428338"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.84801530428338""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.84801530428338 +""", +) + +entry( + index = 419, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing", + kinetics = ArrheniusBM(A=(1.03653,'m^3/(mol*s)'), n=2.26867, w0=(333.5,'kJ/mol'), E0=(49.8897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14785982019409458, var=0.19362616737597915, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing + Total Standard Deviation in ln(k): 1.2536501300637108"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing +Total Standard Deviation in ln(k): 1.2536501300637108""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing +Total Standard Deviation in ln(k): 1.2536501300637108 +""", +) + +entry( + index = 420, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.0665951,'m^3/(mol*s)'), n=2.4643, w0=(333.5,'kJ/mol'), E0=(34.2497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 421, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.0102593,'m^3/(mol*s)'), n=2.88161, w0=(333.5,'kJ/mol'), E0=(44.3042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.35615128889107334, var=0.6419751502997625, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 2.5011134232857564"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 2.5011134232857564""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 2.5011134232857564 +""", +) + +entry( + index = 422, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R", + kinetics = ArrheniusBM(A=(0.365136,'m^3/(mol*s)'), n=2.50289, w0=(333.5,'kJ/mol'), E0=(51.1591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Int-7R!H-5R!H_Int-7R!H-6R!H_N-Sp-7R!H-6R!H_Ext-1COS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 423, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing", + kinetics = ArrheniusBM(A=(1.89527e+09,'m^3/(mol*s)'), n=-0.342996, w0=(330.146,'kJ/mol'), E0=(90.7603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3783434396759612, var=5.839911446322874, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing + Total Standard Deviation in ln(k): 5.795236147816375"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing +Total Standard Deviation in ln(k): 5.795236147816375""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing +Total Standard Deviation in ln(k): 5.795236147816375 +""", +) + +entry( + index = 424, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.261634,'m^3/(mol*s)'), n=2.15072, w0=(322,'kJ/mol'), E0=(80.8147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 425, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(5.53066e+06,'m^3/(mol*s)'), n=0.415097, w0=(330.5,'kJ/mol'), E0=(81.2541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25066029668038975, var=4.3286738193816054, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 4.800744327991626"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.800744327991626""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 4.800744327991626 +""", +) + +entry( + index = 426, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R", + kinetics = ArrheniusBM(A=(7.95763e+07,'m^3/(mol*s)'), n=0.1009, w0=(332.222,'kJ/mol'), E0=(78.5254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17414816139674452, var=5.988919734982917, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R',), comment="""BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R + Total Standard Deviation in ln(k): 5.34359989944985"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 5.34359989944985""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R +Total Standard Deviation in ln(k): 5.34359989944985 +""", +) + +entry( + index = 427, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R", + kinetics = ArrheniusBM(A=(0.000305793,'m^3/(mol*s)'), n=3.10969, w0=(333.5,'kJ/mol'), E0=(32.4578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1856743875533568, var=0.589504085559038, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R + Total Standard Deviation in ln(k): 2.005737503025271"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R +Total Standard Deviation in ln(k): 2.005737503025271""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R +Total Standard Deviation in ln(k): 2.005737503025271 +""", +) + +entry( + index = 428, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0262741,'m^3/(mol*s)'), n=2.54827, w0=(333.5,'kJ/mol'), E0=(57.8376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004668006720791145, var=0.7756379726761786, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7773050828531092"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7773050828531092""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7773050828531092 +""", +) + +entry( + index = 429, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H", + kinetics = ArrheniusBM(A=(0.000816376,'m^3/(mol*s)'), n=2.96045, w0=(333.5,'kJ/mol'), E0=(32.3748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1645504963074168, var=1.3744356015087433, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H + Total Standard Deviation in ln(k): 2.763721198663839"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 2.763721198663839""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H +Total Standard Deviation in ln(k): 2.763721198663839 +""", +) + +entry( + index = 430, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00128525,'m^3/(mol*s)'), n=2.87609, w0=(333.5,'kJ/mol'), E0=(41.1803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21823276527332822, var=3.276120017618779, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R + Total Standard Deviation in ln(k): 4.176905106545541"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R +Total Standard Deviation in ln(k): 4.176905106545541""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R +Total Standard Deviation in ln(k): 4.176905106545541 +""", +) + +entry( + index = 431, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H", + kinetics = ArrheniusBM(A=(15.4,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(71.8898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 432, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H", + kinetics = ArrheniusBM(A=(45.6,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(68.9546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_Sp-10R!H#8R!H_Ext-9R!H-R_N-Sp-11R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 433, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(35.9,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(79.925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 434, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(0.0126861,'m^3/(mol*s)'), n=2.67349, w0=(333.5,'kJ/mol'), E0=(50.9288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09622030997576181, var=0.4018421065096501, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.5125815310736368"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.5125815310736368""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.5125815310736368 +""", +) + +entry( + index = 435, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(50.3,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(75.5235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_Ext-2CS-R_Ext-8R!H-R_N-8R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 436, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(12.2,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(80.0798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_8R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_8R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_8R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 437, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(8.11105e+09,'m^3/(mol*s)'), n=-0.462814, w0=(331.2,'kJ/mol'), E0=(84.1776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31009997376562903, var=5.0931982836187615, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 5.303454900731443"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 5.303454900731443""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 5.303454900731443 +""", +) + +entry( + index = 438, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(161545,'m^3/(mol*s)'), n=0.972438, w0=(331.2,'kJ/mol'), E0=(63.8185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07924541585827712, var=11.664716038598213, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.046010502602473"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.046010502602473""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.046010502602473 +""", +) + +entry( + index = 439, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.05184e+11,'m^3/(mol*s)'), n=-0.576139, w0=(329.667,'kJ/mol'), E0=(81.9199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18442252179128119, var=14.246898319551008, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 8.030258485437356"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 8.030258485437356""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 8.030258485437356 +""", +) + +entry( + index = 440, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(4530.57,'m^3/(mol*s)'), n=1.60835, w0=(333.5,'kJ/mol'), E0=(42.8786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.458550883013699, var=70.89639983898347, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 30.59482129986133"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 30.59482129986133""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 30.59482129986133 +""", +) + +entry( + index = 441, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(116300,'m^3/(mol*s)'), n=1.054, w0=(322,'kJ/mol'), E0=(66.9256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 442, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.12165,'m^3/(mol*s)'), n=2.21979, w0=(333.5,'kJ/mol'), E0=(34.6839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.783321396678794, var=7.812670163995288, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 10.084172937770159"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 10.084172937770159""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 10.084172937770159 +""", +) + +entry( + index = 443, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(1.25194e-05,'m^3/(mol*s)'), n=3.70232, w0=(333.5,'kJ/mol'), E0=(22.9927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026807658829548237, var=2.744084499917737, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 3.3882554034466073"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 3.3882554034466073""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 3.3882554034466073 +""", +) + +entry( + index = 444, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_Sp-8R!H-2CS", + kinetics = ArrheniusBM(A=(0.531009,'m^3/(mol*s)'), n=2.45252, w0=(333.5,'kJ/mol'), E0=(55.5811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5685120162139723, var=6.4142458457444, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_Sp-8R!H-2CS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_Sp-8R!H-2CS + Total Standard Deviation in ln(k): 9.018249484621323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_Sp-8R!H-2CS +Total Standard Deviation in ln(k): 9.018249484621323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_Sp-8R!H-2CS +Total Standard Deviation in ln(k): 9.018249484621323 +""", +) + +entry( + index = 445, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_N-Sp-8R!H-2CS", + kinetics = ArrheniusBM(A=(292.722,'m^3/(mol*s)'), n=1.51499, w0=(333.5,'kJ/mol'), E0=(68.2656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.007111189868644, var=3.135100489207066, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_N-Sp-8R!H-2CS',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_N-Sp-8R!H-2CS + Total Standard Deviation in ln(k): 6.080057151142303"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_N-Sp-8R!H-2CS +Total Standard Deviation in ln(k): 6.080057151142303""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_Sp-2CS=1CCOSS_N-Sp-8R!H-2CS +Total Standard Deviation in ln(k): 6.080057151142303 +""", +) + +entry( + index = 446, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(16390,'m^3/(mol*s)'), n=1.06, w0=(322,'kJ/mol'), E0=(66.6922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Ext-2CS-R_N-8R!H-inRing_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 447, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(47,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(65.9783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2CS=1CCOSS',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 448, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS", + kinetics = ArrheniusBM(A=(0.0881601,'m^3/(mol*s)'), n=2.62295, w0=(322,'kJ/mol'), E0=(66.6968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08742296008927278, var=0.7777102564848487, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS + Total Standard Deviation in ln(k): 1.9875890868551047"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 1.9875890868551047""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS +Total Standard Deviation in ln(k): 1.9875890868551047 +""", +) + +entry( + index = 449, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0126096,'m^3/(mol*s)'), n=2.84436, w0=(322,'kJ/mol'), E0=(62.5604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023950637480725904, var=1.1806308708835973, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.2384592508973906"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2384592508973906""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2384592508973906 +""", +) + +entry( + index = 450, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.03784e-07,'m^3/(mol*s)'), n=4.23795, w0=(322,'kJ/mol'), E0=(21.5729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17921991093425155, var=3.2788952381926966, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.080419430540173"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.080419430540173""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.080419430540173 +""", +) + +entry( + index = 451, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1088,'m^3/(mol*s)'), n=1.419, w0=(322,'kJ/mol'), E0=(81.599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_Ext-1COS-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-1COS-inRing_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_N-Sp-7R!H=6R!H_N-Sp-2CS=1CCOSS_Ext-5R!H-R_Ext-6R!H-R_Ext-9R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 452, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O", + kinetics = ArrheniusBM(A=(7.06259,'m^3/(mol*s)'), n=1.9859, w0=(439.778,'kJ/mol'), E0=(87.6112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8704687788324164, var=4.89552089405694, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O + Total Standard Deviation in ln(k): 6.6227490412310175"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O +Total Standard Deviation in ln(k): 6.6227490412310175""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O +Total Standard Deviation in ln(k): 6.6227490412310175 +""", +) + +entry( + index = 453, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C", + kinetics = ArrheniusBM(A=(2.56952e-11,'m^3/(mol*s)'), n=5.45372, w0=(450,'kJ/mol'), E0=(34.4114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2793368686189285, var=0.4392358391757615, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C + Total Standard Deviation in ln(k): 2.030486994812055"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C +Total Standard Deviation in ln(k): 2.030486994812055""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C +Total Standard Deviation in ln(k): 2.030486994812055 +""", +) + +entry( + index = 454, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(6.38912e-11,'m^3/(mol*s)'), n=5.3373, w0=(450,'kJ/mol'), E0=(33.5054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25531459331031314, var=0.20886053785078196, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R + Total Standard Deviation in ln(k): 1.557683189771957"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 1.557683189771957""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 1.557683189771957 +""", +) + +entry( + index = 455, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(4.90616e-12,'m^3/(mol*s)'), n=5.64871, w0=(450,'kJ/mol'), E0=(28.8693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9521148965338457, var=1.3531187026714906, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 4.72422910889285"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 4.72422910889285""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 4.72422910889285 +""", +) + +entry( + index = 456, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(10.593,'m^3/(mol*s)'), n=2.04257, w0=(450,'kJ/mol'), E0=(87.6817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03488852414009666, var=0.000762845711446822, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.14302971299254477"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.14302971299254477""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.14302971299254477 +""", +) + +entry( + index = 457, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(6.39,'m^3/(mol*s)'), n=2.09, w0=(450,'kJ/mol'), E0=(85.8087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 458, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(18.3,'m^3/(mol*s)'), n=1.99, w0=(450,'kJ/mol'), E0=(89.612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-2C-R_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 459, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(9.29423e-10,'m^3/(mol*s)'), n=5.01059, w0=(450,'kJ/mol'), E0=(31.0028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06797356572641426, var=2.574573553985634, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 3.387481056313728"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.387481056313728""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.387481056313728 +""", +) + +entry( + index = 460, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.373,'m^3/(mol*s)'), n=2.53, w0=(450,'kJ/mol'), E0=(79.082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 461, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.07,'m^3/(mol*s)'), n=2.43, w0=(450,'kJ/mol'), E0=(70.4744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_2CS->C_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 462, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_N-2CS->C", + kinetics = ArrheniusBM(A=(118.5,'m^3/(mol*s)'), n=1.63, w0=(358,'kJ/mol'), E0=(91.2824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_1COS->O_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 463, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O", + kinetics = ArrheniusBM(A=(25.6283,'m^3/(mol*s)'), n=2.08185, w0=(331.223,'kJ/mol'), E0=(42.4602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2809673016316434, var=2.245509663390369, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O',), comment="""BM rule fitted to 47 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O + Total Standard Deviation in ln(k): 3.7100484664405307"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O +Total Standard Deviation in ln(k): 3.7100484664405307""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O +Total Standard Deviation in ln(k): 3.7100484664405307 +""", +) + +entry( + index = 464, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS", + kinetics = ArrheniusBM(A=(35.7781,'m^3/(mol*s)'), n=2.04193, w0=(334.042,'kJ/mol'), E0=(42.4603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3189930767997979, var=2.752567827213065, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS',), comment="""BM rule fitted to 36 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS + Total Standard Deviation in ln(k): 4.127518932552008"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 4.127518932552008""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 4.127518932552008 +""", +) + +entry( + index = 465, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C", + kinetics = ArrheniusBM(A=(2530.62,'m^3/(mol*s)'), n=1.46204, w0=(334.162,'kJ/mol'), E0=(63.6501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1224541724856971, var=1.1265209234544995, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C',), comment="""BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C + Total Standard Deviation in ln(k): 2.435453301604244"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C +Total Standard Deviation in ln(k): 2.435453301604244""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C +Total Standard Deviation in ln(k): 2.435453301604244 +""", +) + +entry( + index = 466, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C", + kinetics = ArrheniusBM(A=(25.578,'m^3/(mol*s)'), n=2.00433, w0=(333.5,'kJ/mol'), E0=(55.4987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.042710711336998934, var=1.1034424689797362, Tref=1000.0, N=33, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C',), comment="""BM rule fitted to 33 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C + Total Standard Deviation in ln(k): 2.2131846987166037"""), + rank = 11, + shortDesc = """BM rule fitted to 33 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C +Total Standard Deviation in ln(k): 2.2131846987166037""", + longDesc = +""" +BM rule fitted to 33 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C +Total Standard Deviation in ln(k): 2.2131846987166037 +""", +) + +entry( + index = 467, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(24.5517,'m^3/(mol*s)'), n=2.01013, w0=(333.5,'kJ/mol'), E0=(55.4683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04185314254124505, var=1.099995625459119, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R',), comment="""BM rule fitted to 31 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R + Total Standard Deviation in ln(k): 2.207738356169016"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.207738356169016""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.207738356169016 +""", +) + +entry( + index = 468, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O", + kinetics = ArrheniusBM(A=(11.2348,'m^3/(mol*s)'), n=1.86995, w0=(333.5,'kJ/mol'), E0=(30.6662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04456996624086637, var=1.557822638614085, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O + Total Standard Deviation in ln(k): 2.614150127181857"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O +Total Standard Deviation in ln(k): 2.614150127181857""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O +Total Standard Deviation in ln(k): 2.614150127181857 +""", +) + +entry( + index = 469, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_Sp-4O-2C", + kinetics = ArrheniusBM(A=(6.67e+06,'m^3/(mol*s)'), n=0.1, w0=(333.5,'kJ/mol'), E0=(52.5496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_Sp-4O-2C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_Sp-4O-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_Sp-4O-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_Sp-4O-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 470, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_N-Sp-4O-2C", + kinetics = ArrheniusBM(A=(230.046,'m^3/(mol*s)'), n=1.61, w0=(333.5,'kJ/mol'), E0=(68.4193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_N-Sp-4O-2C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_N-Sp-4O-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_N-Sp-4O-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_4R!H->O_N-Sp-4O-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 471, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O", + kinetics = ArrheniusBM(A=(3.52545,'m^3/(mol*s)'), n=2.27497, w0=(333.5,'kJ/mol'), E0=(50.8216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.002961989657194026, var=1.0841660953613852, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O',), comment="""BM rule fitted to 29 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O + Total Standard Deviation in ln(k): 2.0948384414045504"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O +Total Standard Deviation in ln(k): 2.0948384414045504""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O +Total Standard Deviation in ln(k): 2.0948384414045504 +""", +) + +entry( + index = 472, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing", + kinetics = ArrheniusBM(A=(25.4197,'m^3/(mol*s)'), n=1.87721, w0=(333.5,'kJ/mol'), E0=(38.0691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9789206140287242, var=2.2610997041036063, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing + Total Standard Deviation in ln(k): 5.47411034558969"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing +Total Standard Deviation in ln(k): 5.47411034558969""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing +Total Standard Deviation in ln(k): 5.47411034558969 +""", +) + +entry( + index = 473, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_Sp-5R!H-4BrCClFINPSSi", + kinetics = ArrheniusBM(A=(336,'m^3/(mol*s)'), n=1.56, w0=(333.5,'kJ/mol'), E0=(46.3069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_Sp-5R!H-4BrCClFINPSSi',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_Sp-5R!H-4BrCClFINPSSi + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_Sp-5R!H-4BrCClFINPSSi +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_Sp-5R!H-4BrCClFINPSSi +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 474, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi", + kinetics = ArrheniusBM(A=(0.638233,'m^3/(mol*s)'), n=2.27265, w0=(333.5,'kJ/mol'), E0=(41.1906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06626011845918012, var=3.6875917163117755, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi + Total Standard Deviation in ln(k): 4.016196163095874"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi +Total Standard Deviation in ln(k): 4.016196163095874""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi +Total Standard Deviation in ln(k): 4.016196163095874 +""", +) + +entry( + index = 475, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi_Ext-2C-R", + kinetics = ArrheniusBM(A=(177,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(57.5638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_4BrCClFINPSSi-inRing_Ext-4BrCClFINPSSi-R_N-Sp-5R!H-4BrCClFINPSSi_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 476, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing", + kinetics = ArrheniusBM(A=(2.33239,'m^3/(mol*s)'), n=2.33476, w0=(333.5,'kJ/mol'), E0=(50.509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009280535843518173, var=1.1520223377083407, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing',), comment="""BM rule fitted to 26 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing + Total Standard Deviation in ln(k): 2.175046267125121"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing +Total Standard Deviation in ln(k): 2.175046267125121""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing +Total Standard Deviation in ln(k): 2.175046267125121 +""", +) + +entry( + index = 477, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_4BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(464.171,'m^3/(mol*s)'), n=1.61036, w0=(333.5,'kJ/mol'), E0=(65.0857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_4BrCClFINPSSi->F',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_4BrCClFINPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 478, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F", + kinetics = ArrheniusBM(A=(2.23933,'m^3/(mol*s)'), n=2.34119, w0=(333.5,'kJ/mol'), E0=(50.1988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009942512563163433, var=1.1735426375233429, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F',), comment="""BM rule fitted to 25 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F + Total Standard Deviation in ln(k): 2.196714164231853"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 2.196714164231853""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F +Total Standard Deviation in ln(k): 2.196714164231853 +""", +) + +entry( + index = 479, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R", + kinetics = ArrheniusBM(A=(1.73828,'m^3/(mol*s)'), n=2.37832, w0=(333.5,'kJ/mol'), E0=(51.9003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01633670397957808, var=1.3364293505322993, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R',), comment="""BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R + Total Standard Deviation in ln(k): 2.358601687219236"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R +Total Standard Deviation in ln(k): 2.358601687219236""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R +Total Standard Deviation in ln(k): 2.358601687219236 +""", +) + +entry( + index = 480, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl", + kinetics = ArrheniusBM(A=(48.0635,'m^3/(mol*s)'), n=1.925, w0=(333.5,'kJ/mol'), E0=(54.9488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023829395585783918, var=0.12363419246987876, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl + Total Standard Deviation in ln(k): 0.7647708683761851"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl +Total Standard Deviation in ln(k): 0.7647708683761851""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl +Total Standard Deviation in ln(k): 0.7647708683761851 +""", +) + +entry( + index = 481, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R", + kinetics = ArrheniusBM(A=(3831.04,'m^3/(mol*s)'), n=1.24743, w0=(333.5,'kJ/mol'), E0=(48.935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03719795066793076, var=0.4540553805205305, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R + Total Standard Deviation in ln(k): 1.4443254863582087"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R +Total Standard Deviation in ln(k): 1.4443254863582087""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R +Total Standard Deviation in ln(k): 1.4443254863582087 +""", +) + +entry( + index = 482, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6028.29,'m^3/(mol*s)'), n=1.16308, w0=(333.5,'kJ/mol'), E0=(48.6087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.045190899886906485, var=1.164433837119219, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.27683325717194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.27683325717194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.27683325717194 +""", +) + +entry( + index = 483, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(11754.2,'m^3/(mol*s)'), n=1.01222, w0=(333.5,'kJ/mol'), E0=(50.821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 484, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3091.68,'m^3/(mol*s)'), n=1.31394, w0=(333.5,'kJ/mol'), E0=(46.3964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_Sp-5R!H#4CCCClClCl_Ext-2C-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 485, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl", + kinetics = ArrheniusBM(A=(0.523028,'m^3/(mol*s)'), n=2.54916, w0=(333.5,'kJ/mol'), E0=(51.9625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010696426869815456, var=2.3537966816211924, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl',), comment="""BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl + Total Standard Deviation in ln(k): 3.1025576676912605"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl +Total Standard Deviation in ln(k): 3.1025576676912605""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl +Total Standard Deviation in ln(k): 3.1025576676912605 +""", +) + +entry( + index = 486, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C", + kinetics = ArrheniusBM(A=(0.574256,'m^3/(mol*s)'), n=2.54349, w0=(333.5,'kJ/mol'), E0=(57,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0642787959613184, var=2.388587479768563, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C + Total Standard Deviation in ln(k): 3.25983374929813"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C +Total Standard Deviation in ln(k): 3.25983374929813""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C +Total Standard Deviation in ln(k): 3.25983374929813 +""", +) + +entry( + index = 487, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(2.23556e+08,'m^3/(mol*s)'), n=-0.155553, w0=(333.5,'kJ/mol'), E0=(79.9907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4502437524615685, var=3.0289979212716176, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 4.620309956549555"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 4.620309956549555""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 4.620309956549555 +""", +) + +entry( + index = 488, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(59209,'m^3/(mol*s)'), n=0.958688, w0=(333.5,'kJ/mol'), E0=(46.8158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 489, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(147296,'m^3/(mol*s)'), n=0.750164, w0=(333.5,'kJ/mol'), E0=(70.3605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27422380671911983, var=3.6101710245787935, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R + Total Standard Deviation in ln(k): 4.498091411520853"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.498091411520853""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R +Total Standard Deviation in ln(k): 4.498091411520853 +""", +) + +entry( + index = 490, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(8.215e+06,'m^3/(mol*s)'), n=0.201, w0=(333.5,'kJ/mol'), E0=(64.6929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Ext-2C-R_Ext-5C-R_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 491, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C", + kinetics = ArrheniusBM(A=(0.950053,'m^3/(mol*s)'), n=2.40357, w0=(333.5,'kJ/mol'), E0=(21.6517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10560144969595368, var=19.192640760483243, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C',), comment="""BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C + Total Standard Deviation in ln(k): 9.047955618698413"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C +Total Standard Deviation in ln(k): 9.047955618698413""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C +Total Standard Deviation in ln(k): 9.047955618698413 +""", +) + +entry( + index = 492, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_5C-inRing", + kinetics = ArrheniusBM(A=(282.055,'m^3/(mol*s)'), n=1.91613, w0=(333.5,'kJ/mol'), E0=(28.7117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 493, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing", + kinetics = ArrheniusBM(A=(3407.27,'m^3/(mol*s)'), n=1.24181, w0=(333.5,'kJ/mol'), E0=(72.3988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8400212858574567, var=0.41794239404157857, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing + Total Standard Deviation in ln(k): 3.406636687322379"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing +Total Standard Deviation in ln(k): 3.406636687322379""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing +Total Standard Deviation in ln(k): 3.406636687322379 +""", +) + +entry( + index = 494, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R", + kinetics = ArrheniusBM(A=(2768.44,'m^3/(mol*s)'), n=1.26631, w0=(333.5,'kJ/mol'), E0=(72.3976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3314163891060069, var=0.0061045007265244575, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R + Total Standard Deviation in ln(k): 0.9893370618052121"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 0.9893370618052121""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R +Total Standard Deviation in ln(k): 0.9893370618052121 +""", +) + +entry( + index = 495, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R_Ext-5C-R", + kinetics = ArrheniusBM(A=(713700,'m^3/(mol*s)'), n=0.557, w0=(333.5,'kJ/mol'), E0=(78.5526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R_Ext-5C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R_Ext-5C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_Sp-4CCl-2C_N-5C-inRing_Ext-5C-R_Ext-5C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 496, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C", + kinetics = ArrheniusBM(A=(1.63842,'m^3/(mol*s)'), n=2.47011, w0=(333.5,'kJ/mol'), E0=(64.4787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16475677084270915, var=0.2152759280376351, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C + Total Standard Deviation in ln(k): 1.3441154497300551"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C +Total Standard Deviation in ln(k): 1.3441154497300551""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C +Total Standard Deviation in ln(k): 1.3441154497300551 +""", +) + +entry( + index = 497, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_5C-inRing", + kinetics = ArrheniusBM(A=(817.5,'m^3/(mol*s)'), n=1.505, w0=(333.5,'kJ/mol'), E0=(58.6921,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_5C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_5C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_5C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 498, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_N-5C-inRing", + kinetics = ArrheniusBM(A=(0.0143029,'m^3/(mol*s)'), n=3.09461, w0=(333.5,'kJ/mol'), E0=(54.5256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06772931344992979, var=0.1412404218500196, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_N-5C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_N-5C-inRing + Total Standard Deviation in ln(k): 0.9235930229289115"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_N-5C-inRing +Total Standard Deviation in ln(k): 0.9235930229289115""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_5R!H->C_N-Sp-4CCl-2C_N-5C-inRing +Total Standard Deviation in ln(k): 0.9235930229289115 +""", +) + +entry( + index = 499, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_N-5R!H->C", + kinetics = ArrheniusBM(A=(501.4,'m^3/(mol*s)'), n=1.733, w0=(333.5,'kJ/mol'), E0=(46.5072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Ext-4CCl-R_N-Sp-5R!H#4CCCClClCl_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 500, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C", + kinetics = ArrheniusBM(A=(11227.3,'m^3/(mol*s)'), n=1.24568, w0=(333.5,'kJ/mol'), E0=(58.3975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07105743279415855, var=1.3053852092241014, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C',), comment="""BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C + Total Standard Deviation in ln(k): 2.469015362718139"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C +Total Standard Deviation in ln(k): 2.469015362718139""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C +Total Standard Deviation in ln(k): 2.469015362718139 +""", +) + +entry( + index = 501, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C", + kinetics = ArrheniusBM(A=(6262.85,'m^3/(mol*s)'), n=1.32383, w0=(333.5,'kJ/mol'), E0=(58.1623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.036480910792805056, var=2.3272444102829337, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C',), comment="""BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C + Total Standard Deviation in ln(k): 3.149945810165176"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C +Total Standard Deviation in ln(k): 3.149945810165176""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C +Total Standard Deviation in ln(k): 3.149945810165176 +""", +) + +entry( + index = 502, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(13307.6,'m^3/(mol*s)'), n=1.19576, w0=(333.5,'kJ/mol'), E0=(60.9331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6312830622804076, var=0.7002790462308288, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C_Ext-2C-R + Total Standard Deviation in ln(k): 3.2637543308432093"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C_Ext-2C-R +Total Standard Deviation in ln(k): 3.2637543308432093""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_4CCl->C_Ext-2C-R +Total Standard Deviation in ln(k): 3.2637543308432093 +""", +) + +entry( + index = 503, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_N-4CCl->C", + kinetics = ArrheniusBM(A=(711.097,'m^3/(mol*s)'), n=1.55956, w0=(333.5,'kJ/mol'), E0=(46.5534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_N-4CCl->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_N-4CCl->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_N-4CCl->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_Sp-4CCl-2C_N-4CCl->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 504, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_N-Sp-4CCl-2C", + kinetics = ArrheniusBM(A=(209,'m^3/(mol*s)'), n=1.64, w0=(333.5,'kJ/mol'), E0=(51.0583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_N-Sp-4CCl-2C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_N-Sp-4CCl-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_N-Sp-4CCl-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_2CS->C_Ext-2C-R_N-4R!H->O_N-4BrCClFINPSSi-inRing_N-4BrCClFINPSSi->F_N-Sp-4CCl-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 505, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_N-2CS->C", + kinetics = ArrheniusBM(A=(462,'m^3/(mol*s)'), n=1.7, w0=(356,'kJ/mol'), E0=(57.6012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_1CS->C_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 506, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C", + kinetics = ArrheniusBM(A=(1.38883e+07,'m^3/(mol*s)'), n=0.496149, w0=(332,'kJ/mol'), E0=(59.3227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.7371326223664045, var=24.401795816316692, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C + Total Standard Deviation in ln(k): 19.292805649727494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C +Total Standard Deviation in ln(k): 19.292805649727494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C +Total Standard Deviation in ln(k): 19.292805649727494 +""", +) + +entry( + index = 507, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C_Ext-2CS-R", + kinetics = ArrheniusBM(A=(2177.68,'m^3/(mol*s)'), n=1.06967, w0=(332,'kJ/mol'), E0=(22.2652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C_Ext-2CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C_Ext-2CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_Sp-2CS=1CCSS_N-1CS->C_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 508, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS", + kinetics = ArrheniusBM(A=(44783.5,'m^3/(mol*s)'), n=1.15623, w0=(322,'kJ/mol'), E0=(70.2883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15950798795574028, var=0.747534583198336, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS',), comment="""BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS + Total Standard Deviation in ln(k): 2.134069436973296"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 2.134069436973296""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 2.134069436973296 +""", +) + +entry( + index = 509, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R", + kinetics = ArrheniusBM(A=(45446,'m^3/(mol*s)'), n=1.15465, w0=(322,'kJ/mol'), E0=(70.3384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15950379082707478, var=0.7510123423606258, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R',), comment="""BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R + Total Standard Deviation in ln(k): 2.1380861230977755"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R +Total Standard Deviation in ln(k): 2.1380861230977755""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R +Total Standard Deviation in ln(k): 2.1380861230977755 +""", +) + +entry( + index = 510, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C", + kinetics = ArrheniusBM(A=(54712.4,'m^3/(mol*s)'), n=1.12504, w0=(322,'kJ/mol'), E0=(70.3878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1599324681732481, var=0.7879868354686959, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C',), comment="""BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C + Total Standard Deviation in ln(k): 2.1814160868682895"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C +Total Standard Deviation in ln(k): 2.1814160868682895""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C +Total Standard Deviation in ln(k): 2.1814160868682895 +""", +) + +entry( + index = 511, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(62366.4,'m^3/(mol*s)'), n=1.10851, w0=(322,'kJ/mol'), E0=(70.6244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16096903518110506, var=0.7933191755065928, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 2.19003160625704"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 2.19003160625704""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 2.19003160625704 +""", +) + +entry( + index = 512, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(125500,'m^3/(mol*s)'), n=1.005, w0=(322,'kJ/mol'), E0=(66.208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 513, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(550467,'m^3/(mol*s)'), n=0.839588, w0=(322,'kJ/mol'), E0=(75.1933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23548566021331405, var=0.7464747520235852, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 2.3237389690027506"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.3237389690027506""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.3237389690027506 +""", +) + +entry( + index = 514, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(172591,'m^3/(mol*s)'), n=0.983154, w0=(322,'kJ/mol'), E0=(47.1665,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 515, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(886.652,'m^3/(mol*s)'), n=1.65356, w0=(322,'kJ/mol'), E0=(68.1439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08804452817431464, var=0.35560325697786027, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Sp-5R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Sp-5R!H=4C + Total Standard Deviation in ln(k): 1.4166906345471386"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Sp-5R!H=4C +Total Standard Deviation in ln(k): 1.4166906345471386""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_Sp-5R!H=4C +Total Standard Deviation in ln(k): 1.4166906345471386 +""", +) + +entry( + index = 516, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C", + kinetics = ArrheniusBM(A=(10.4547,'m^3/(mol*s)'), n=2.13888, w0=(322,'kJ/mol'), E0=(36.8213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6752477646581687, var=2.911664146592945, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C',), comment="""BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C + Total Standard Deviation in ln(k): 5.117401992430973"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 5.117401992430973""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C +Total Standard Deviation in ln(k): 5.117401992430973 +""", +) + +entry( + index = 517, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1972.34,'m^3/(mol*s)'), n=1.64652, w0=(322,'kJ/mol'), E0=(63.0024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_4R!H->C_Ext-4C-R_N-5R!H-inRing_N-Sp-5R!H=4C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 518, + label = "Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(125.384,'m^3/(mol*s)'), n=2.03877, w0=(322,'kJ/mol'), E0=(66.1946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R->H_N-2R!H->N_N-1R!H->N_N-2COS->O_N-2CS-inRing_N-1COS->O_N-Sp-2CS=1CCSS_Ext-2CS-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 519, + label = "Root_3R-inRing", + kinetics = ArrheniusBM(A=(241404,'m^3/(mol*s)'), n=0.287018, w0=(298.422,'kJ/mol'), E0=(75.6573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03601832455879691, var=1.951972237097753, Tref=1000.0, N=153, data_mean=0.0, correlation='Root_3R-inRing',), comment="""BM rule fitted to 153 training reactions at node Root_3R-inRing + Total Standard Deviation in ln(k): 2.891373821733094"""), + rank = 11, + shortDesc = """BM rule fitted to 153 training reactions at node Root_3R-inRing +Total Standard Deviation in ln(k): 2.891373821733094""", + longDesc = +""" +BM rule fitted to 153 training reactions at node Root_3R-inRing +Total Standard Deviation in ln(k): 2.891373821733094 +""", +) + +entry( + index = 520, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(2.56136e-05,'m^3/(mol*s)'), n=3.04761, w0=(296.4,'kJ/mol'), E0=(47.2598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37048171469192753, var=4.439442063945165, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R + Total Standard Deviation in ln(k): 5.1548320879921645"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R +Total Standard Deviation in ln(k): 5.1548320879921645""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R +Total Standard Deviation in ln(k): 5.1548320879921645 +""", +) + +entry( + index = 521, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O", + kinetics = ArrheniusBM(A=(0.001023,'m^3/(mol*s)'), n=2.607, w0=(289.5,'kJ/mol'), E0=(75.2814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 522, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O", + kinetics = ArrheniusBM(A=(2.57521e-15,'m^3/(mol*s)'), n=5.90892, w0=(298.125,'kJ/mol'), E0=(16.0981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08519639755599694, var=3.170502741494403, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O + Total Standard Deviation in ln(k): 3.783673654012909"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O +Total Standard Deviation in ln(k): 3.783673654012909""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O +Total Standard Deviation in ln(k): 3.783673654012909 +""", +) + +entry( + index = 523, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing", + kinetics = ArrheniusBM(A=(1.31723e-07,'m^3/(mol*s)'), n=3.44037, w0=(301,'kJ/mol'), E0=(30.8802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33668617337170315, var=0.39244639141659254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing + Total Standard Deviation in ln(k): 2.1018223111936916"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 2.1018223111936916""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 2.1018223111936916 +""", +) + +entry( + index = 524, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(2.88e-05,'m^3/(mol*s)'), n=2.74, w0=(301,'kJ/mol'), E0=(36.8551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 525, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(2.88e-05,'m^3/(mol*s)'), n=2.8, w0=(301,'kJ/mol'), E0=(37.5461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_1R!H-inRing_Ext-4C-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 526, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00828162,'m^3/(mol*s)'), n=2.46298, w0=(295.25,'kJ/mol'), E0=(52.2523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7073029501935029, var=7.271052272944591, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing + Total Standard Deviation in ln(k): 7.18288893186847"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 7.18288893186847""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 7.18288893186847 +""", +) + +entry( + index = 527, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000502707,'m^3/(mol*s)'), n=2.87982, w0=(301,'kJ/mol'), E0=(42.0335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 528, + label = "Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0408,'m^3/(mol*s)'), n=2.24, w0=(289.5,'kJ/mol'), E0=(56.5616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_Sp-4R!H-3R_N-4R!H->O_N-1R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 529, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(50718.1,'m^3/(mol*s)'), n=0.504376, w0=(298.49,'kJ/mol'), E0=(74.4695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06545792275551593, var=1.7747864255242498, Tref=1000.0, N=148, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R',), comment="""BM rule fitted to 148 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R + Total Standard Deviation in ln(k): 2.8351974732118435"""), + rank = 11, + shortDesc = """BM rule fitted to 148 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 2.8351974732118435""", + longDesc = +""" +BM rule fitted to 148 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 2.8351974732118435 +""", +) + +entry( + index = 530, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(16573.9,'m^3/(mol*s)'), n=0.559766, w0=(298.992,'kJ/mol'), E0=(68.1757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1404714963598933, var=1.0682051238751586, Tref=1000.0, N=122, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R',), comment="""BM rule fitted to 122 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.4249175365565847"""), + rank = 11, + shortDesc = """BM rule fitted to 122 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.4249175365565847""", + longDesc = +""" +BM rule fitted to 122 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.4249175365565847 +""", +) + +entry( + index = 531, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(15927.2,'m^3/(mol*s)'), n=0.32406, w0=(297.5,'kJ/mol'), E0=(52.7037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0732661759839353, var=4.3664131964567225, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 6.885735923178899"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 6.885735923178899""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 6.885735923178899 +""", +) + +entry( + index = 532, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.32768,'m^3/(mol*s)'), n=1.54138, w0=(297.5,'kJ/mol'), E0=(63.0798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32598085822696793, var=0.6090902740532416, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.383627553308722"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.383627553308722""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.383627553308722 +""", +) + +entry( + index = 533, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(7.05685e-06,'m^3/(mol*s)'), n=3.09388, w0=(259,'kJ/mol'), E0=(43.226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 534, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(3948.98,'m^3/(mol*s)'), n=0.697508, w0=(301,'kJ/mol'), E0=(80.8889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06098995496857273, var=0.9876624373896192, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 2.145571016923973"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.145571016923973""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.145571016923973 +""", +) + +entry( + index = 535, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3039.79,'m^3/(mol*s)'), n=0.731844, w0=(301,'kJ/mol'), E0=(80.0651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05639032366371175, var=1.088102510104169, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.232866535876194"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.232866535876194""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.232866535876194 +""", +) + +entry( + index = 536, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(11533.5,'m^3/(mol*s)'), n=0.568762, w0=(301,'kJ/mol'), E0=(81.8834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05377354512466475, var=1.734302919828187, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.775203877535672"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.775203877535672""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.775203877535672 +""", +) + +entry( + index = 537, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.080923,'m^3/(mol*s)'), n=1.94533, w0=(301,'kJ/mol'), E0=(71.9729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07242340493511787, var=0.8828403093662209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 2.0656090577342585"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 2.0656090577342585""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 2.0656090577342585 +""", +) + +entry( + index = 538, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00281,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 539, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(3571.94,'m^3/(mol*s)'), n=0.754649, w0=(301,'kJ/mol'), E0=(76.197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015047991016811259, var=0.7414266701678551, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.7640089400544683"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.7640089400544683""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.7640089400544683 +""", +) + +entry( + index = 540, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(17553.2,'m^3/(mol*s)'), n=0.57748, w0=(301,'kJ/mol'), E0=(78.6298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12422096204535435, var=1.4190660694504242, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7002448016021687"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7002448016021687""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7002448016021687 +""", +) + +entry( + index = 541, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.49531,'m^3/(mol*s)'), n=1.96715, w0=(301,'kJ/mol'), E0=(50.7746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 542, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00461,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.6972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 543, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0054,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.8365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 544, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00407,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.0061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 545, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00527,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 546, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 547, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00362,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.7385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 548, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00389,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.9475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_N-1R!H-inRing_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 549, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(110022,'m^3/(mol*s)'), n=0.0582624, w0=(297.182,'kJ/mol'), E0=(50.5059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2614949906905621, var=2.2421663982592945, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 6.171448690149227"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 6.171448690149227""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 6.171448690149227 +""", +) + +entry( + index = 550, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00485538,'m^3/(mol*s)'), n=2.41018, w0=(301,'kJ/mol'), E0=(45.7403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18946738035393162, var=2.3795935343450507, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.568539232475289"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.568539232475289""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.568539232475289 +""", +) + +entry( + index = 551, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.29637,'m^3/(mol*s)'), n=1.79818, w0=(301,'kJ/mol'), E0=(66.0584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03884496966239723, var=1.0398539081841784, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 2.1418934831148557"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 2.1418934831148557""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 2.1418934831148557 +""", +) + +entry( + index = 552, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00316,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.7525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 553, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.753647,'m^3/(mol*s)'), n=1.82213, w0=(301,'kJ/mol'), E0=(43.7606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05570472429776283, var=0.8864738808790417, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.0274746621962128"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.0274746621962128""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.0274746621962128 +""", +) + +entry( + index = 554, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.20985,'m^3/(mol*s)'), n=1.70922, w0=(301,'kJ/mol'), E0=(44.3103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06640294528338066, var=1.8045114903617168, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.8598444352629424"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8598444352629424""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8598444352629424 +""", +) + +entry( + index = 555, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(58.2855,'m^3/(mol*s)'), n=1.38803, w0=(301,'kJ/mol'), E0=(48.7558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 556, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.565667,'m^3/(mol*s)'), n=1.82602, w0=(301,'kJ/mol'), E0=(41.2769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 557, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.327317,'m^3/(mol*s)'), n=1.91362, w0=(301,'kJ/mol'), E0=(42.8982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 558, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0963418,'m^3/(mol*s)'), n=2.03041, w0=(301,'kJ/mol'), E0=(42.4768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 559, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.233849,'m^3/(mol*s)'), n=1.95255, w0=(301,'kJ/mol'), E0=(43.3953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 560, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H", + kinetics = ArrheniusBM(A=(0.00437,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 561, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H", + kinetics = ArrheniusBM(A=(56511,'m^3/(mol*s)'), n=0.131363, w0=(287,'kJ/mol'), E0=(48.4975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1807291477512487, var=2.329105034074589, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H + Total Standard Deviation in ln(k): 6.026163680344368"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 6.026163680344368""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H +Total Standard Deviation in ln(k): 6.026163680344368 +""", +) + +entry( + index = 562, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(159167,'m^3/(mol*s)'), n=-5.83655e-08, w0=(259,'kJ/mol'), E0=(49.6497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 563, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00705959,'m^3/(mol*s)'), n=2.35547, w0=(301,'kJ/mol'), E0=(54.4658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0031528949645740346, var=0.31791363369539266, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.1382682737857224"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.1382682737857224""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.1382682737857224 +""", +) + +entry( + index = 564, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00511,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.4435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=2R!H_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 565, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.266353,'m^3/(mol*s)'), n=2.14751, w0=(299.357,'kJ/mol'), E0=(65.9758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07090177441581327, var=1.3099305906020522, Tref=1000.0, N=98, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 98 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 2.4726085464371312"""), + rank = 11, + shortDesc = """BM rule fitted to 98 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.4726085464371312""", + longDesc = +""" +BM rule fitted to 98 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 2.4726085464371312 +""", +) + +entry( + index = 566, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(444166,'m^3/(mol*s)'), n=0.218433, w0=(301,'kJ/mol'), E0=(76.3523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07239406173924828, var=1.0919727980720484, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 44 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.2767927104979417"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2767927104979417""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2767927104979417 +""", +) + +entry( + index = 567, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(534328,'m^3/(mol*s)'), n=0.197219, w0=(301,'kJ/mol'), E0=(76.3454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02495955445287602, var=0.9358004800674956, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0020286300751065"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0020286300751065""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0020286300751065 +""", +) + +entry( + index = 568, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0159689,'m^3/(mol*s)'), n=2.45627, w0=(301,'kJ/mol'), E0=(54.5193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21501175869273378, var=1.2857631211426397, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.813429630987038"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.813429630987038""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.813429630987038 +""", +) + +entry( + index = 569, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.141884,'m^3/(mol*s)'), n=1.98403, w0=(301,'kJ/mol'), E0=(57.1675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060541614090240184, var=0.341376237645401, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 1.3234294148782675"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.3234294148782675""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.3234294148782675 +""", +) + +entry( + index = 570, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00181616,'m^3/(mol*s)'), n=2.57303, w0=(301,'kJ/mol'), E0=(40.4914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018988863659724988, var=0.24106473142701884, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0320024231582554"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0320024231582554""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0320024231582554 +""", +) + +entry( + index = 571, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00190865,'m^3/(mol*s)'), n=2.57708, w0=(301,'kJ/mol'), E0=(38.7114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006480856470023353, var=0.39980965697808973, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2838876417586593"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2838876417586593""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2838876417586593 +""", +) + +entry( + index = 572, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0118,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 573, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0056,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 574, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00591,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.9976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 575, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00140684,'m^3/(mol*s)'), n=2.52173, w0=(301,'kJ/mol'), E0=(44.8361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026457234066247736, var=0.35780184866256654, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.265638626810198"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.265638626810198""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.265638626810198 +""", +) + +entry( + index = 576, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00559,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.0049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 577, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00264,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.1476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 578, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.6438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 579, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(10.3209,'m^3/(mol*s)'), n=1.59072, w0=(301,'kJ/mol'), E0=(40.3247,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07763148679837967, var=0.6297289927232397, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.7859208424819113"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.7859208424819113""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.7859208424819113 +""", +) + +entry( + index = 580, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(30.2815,'m^3/(mol*s)'), n=1.47766, w0=(301,'kJ/mol'), E0=(40.7966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08834509741515734, var=0.8022281196527534, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0175574456332623"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0175574456332623""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0175574456332623 +""", +) + +entry( + index = 581, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(804.007,'m^3/(mol*s)'), n=1.15566, w0=(301,'kJ/mol'), E0=(45.9264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11885656509420293, var=0.21212563566974918, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.2219574024227617"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2219574024227617""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2219574024227617 +""", +) + +entry( + index = 582, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(847.824,'m^3/(mol*s)'), n=1.15931, w0=(301,'kJ/mol'), E0=(45.4017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1185106836280245, var=0.3189721972345853, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.4299922688011208"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4299922688011208""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4299922688011208 +""", +) + +entry( + index = 583, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(892.644,'m^3/(mol*s)'), n=1.21284, w0=(301,'kJ/mol'), E0=(48.2224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 584, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(533.888,'m^3/(mol*s)'), n=1.18364, w0=(301,'kJ/mol'), E0=(44.8856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 585, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(1278.76,'m^3/(mol*s)'), n=1.08144, w0=(301,'kJ/mol'), E0=(43.097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 586, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.17426,'m^3/(mol*s)'), n=1.64271, w0=(301,'kJ/mol'), E0=(38.0936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07270509164569859, var=0.16762175274852611, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0034474402554288"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0034474402554288""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0034474402554288 +""", +) + +entry( + index = 587, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.58789,'m^3/(mol*s)'), n=1.69462, w0=(301,'kJ/mol'), E0=(38.8659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06778635189080738, var=0.007778102576711389, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.34712217392862693"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.34712217392862693""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.34712217392862693 +""", +) + +entry( + index = 588, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(8.65968,'m^3/(mol*s)'), n=1.65082, w0=(301,'kJ/mol'), E0=(39.0385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 589, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.01177,'m^3/(mol*s)'), n=1.73842, w0=(301,'kJ/mol'), E0=(38.6933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 590, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(3.78331,'m^3/(mol*s)'), n=1.67029, w0=(301,'kJ/mol'), E0=(36.4026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07009200361493954, var=0.00684144602469157, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.3419282828422539"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.3419282828422539""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.3419282828422539 +""", +) + +entry( + index = 591, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(4.98275,'m^3/(mol*s)'), n=1.62649, w0=(301,'kJ/mol'), E0=(35.7436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 592, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.8726,'m^3/(mol*s)'), n=1.71409, w0=(301,'kJ/mol'), E0=(37.0615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 593, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(9.44356,'m^3/(mol*s)'), n=1.56323, w0=(301,'kJ/mol'), E0=(39.0123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08023689983156654, var=0.006956975103404487, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.36881216326111055"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.36881216326111055""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.36881216326111055 +""", +) + +entry( + index = 594, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(12.4344,'m^3/(mol*s)'), n=1.51943, w0=(301,'kJ/mol'), E0=(38.2017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 595, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(7.17209,'m^3/(mol*s)'), n=1.60703, w0=(301,'kJ/mol'), E0=(39.823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 596, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(6.66046,'m^3/(mol*s)'), n=1.58269, w0=(301,'kJ/mol'), E0=(37.8356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 597, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.85549,'m^3/(mol*s)'), n=1.67029, w0=(301,'kJ/mol'), E0=(39.4569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 598, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.31812,'m^3/(mol*s)'), n=1.79925, w0=(301,'kJ/mol'), E0=(40.5952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.040646621487145776, var=0.20093041664803848, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0007549523906887"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0007549523906887""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0007549523906887 +""", +) + +entry( + index = 599, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.38557,'m^3/(mol*s)'), n=1.80331, w0=(301,'kJ/mol'), E0=(38.8188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05748774369232424, var=0.3215927253292581, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2813097113596188"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2813097113596188""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2813097113596188 +""", +) + +entry( + index = 600, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.47678,'m^3/(mol*s)'), n=1.85522, w0=(301,'kJ/mol'), E0=(40.4297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 601, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.84956,'m^3/(mol*s)'), n=1.83089, w0=(301,'kJ/mol'), E0=(37.1348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 602, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(2.12021,'m^3/(mol*s)'), n=1.72382, w0=(301,'kJ/mol'), E0=(38.892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 603, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.19963,'m^3/(mol*s)'), n=1.72139, w0=(301,'kJ/mol'), E0=(38.6384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06525012102698828, var=0.21331219894891557, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0898466302232686"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0898466302232686""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0898466302232686 +""", +) + +entry( + index = 604, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.36419,'m^3/(mol*s)'), n=1.72544, w0=(301,'kJ/mol'), E0=(38.2609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06486584934220246, var=0.32143374797515145, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2995666286859504"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2995666286859504""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2995666286859504 +""", +) + +entry( + index = 605, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.58456,'m^3/(mol*s)'), n=1.77735, w0=(301,'kJ/mol'), E0=(38.9443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 606, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(2.06157,'m^3/(mol*s)'), n=1.75302, w0=(301,'kJ/mol'), E0=(36.5385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 607, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(5.15238,'m^3/(mol*s)'), n=1.64596, w0=(301,'kJ/mol'), E0=(39.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 608, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000120336,'m^3/(mol*s)'), n=2.97087, w0=(301,'kJ/mol'), E0=(29.7452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007467569959809292, var=0.273484160270631, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.0671532419447338"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0671532419447338""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.0671532419447338 +""", +) + +entry( + index = 609, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0125765,'m^3/(mol*s)'), n=2.40261, w0=(301,'kJ/mol'), E0=(45.823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023266896342592117, var=0.3566324414234085, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2556614808213706"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2556614808213706""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2556614808213706 +""", +) + +entry( + index = 610, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0192,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 611, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00906,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.14,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 612, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00957,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.1588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 613, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(2.13997e-05,'m^3/(mol*s)'), n=3.15701, w0=(301,'kJ/mol'), E0=(27.4679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08437349383638675, var=0.2371892423796038, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.188341348777514"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.188341348777514""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.188341348777514 +""", +) + +entry( + index = 614, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.24874e-05,'m^3/(mol*s)'), n=3.16107, w0=(301,'kJ/mol'), E0=(24.3634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09515424972981348, var=0.36800831201816536, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.4552272750064938"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4552272750064938""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4552272750064938 +""", +) + +entry( + index = 615, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0152,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.0312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 616, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0072,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.5058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 617, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0076,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.3801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 618, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00248668,'m^3/(mol*s)'), n=2.57446, w0=(301,'kJ/mol'), E0=(54.1111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17548296880129655, var=0.28618740678946825, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.5133748119610915"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.5133748119610915""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.5133748119610915 +""", +) + +entry( + index = 619, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0924329,'m^3/(mol*s)'), n=2.13484, w0=(301,'kJ/mol'), E0=(59.2612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11750256765990526, var=0.16725326972338958, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1151012651906798"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1151012651906798""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1151012651906798 +""", +) + +entry( + index = 620, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0164,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.0438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 621, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00774,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.3286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 622, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00818,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.9047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 623, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.49973e-06,'m^3/(mol*s)'), n=3.31517, w0=(301,'kJ/mol'), E0=(28.2931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002675439218057037, var=0.5832659412654337, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.5377754674509578"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5377754674509578""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5377754674509578 +""", +) + +entry( + index = 624, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0152,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 625, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.5398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 626, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00757,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.1679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 627, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.264594,'m^3/(mol*s)'), n=2.19862, w0=(298.476,'kJ/mol'), E0=(55.6899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10255801129868292, var=1.322029838747332, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.5627189442419414"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5627189442419414""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5627189442419414 +""", +) + +entry( + index = 628, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.1393,'m^3/(mol*s)'), n=2.04177, w0=(301,'kJ/mol'), E0=(43.5251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019804406400100956, var=0.4191851552837121, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.3477157142796599"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.3477157142796599""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.3477157142796599 +""", +) + +entry( + index = 629, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.27761,'m^3/(mol*s)'), n=2.00284, w0=(301,'kJ/mol'), E0=(44.0418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03858134121401607, var=0.2688377830277462, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.136384545264759"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.136384545264759""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.136384545264759 +""", +) + +entry( + index = 630, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.47279,'m^3/(mol*s)'), n=1.95011, w0=(301,'kJ/mol'), E0=(42.9557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.043576939161521236, var=0.3099404010117803, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.225571747442616"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.225571747442616""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.225571747442616 +""", +) + +entry( + index = 631, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.147994,'m^3/(mol*s)'), n=2.08881, w0=(301,'kJ/mol'), E0=(42.8668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 632, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.5104,'m^3/(mol*s)'), n=1.81142, w0=(301,'kJ/mol'), E0=(43.0447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 633, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.119001,'m^3/(mol*s)'), n=2.02798, w0=(301,'kJ/mol'), E0=(42.0427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.036198831670933324, var=0.3163368698284928, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2184916780797965"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2184916780797965""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2184916780797965 +""", +) + +entry( + index = 634, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0371748,'m^3/(mol*s)'), n=2.16667, w0=(301,'kJ/mol'), E0=(41.6985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 635, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.380935,'m^3/(mol*s)'), n=1.88928, w0=(301,'kJ/mol'), E0=(42.3869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 636, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.102399,'m^3/(mol*s)'), n=2.36557, w0=(298.043,'kJ/mol'), E0=(55.6899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08917481256451697, var=1.1459763146287256, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.3701318969868677"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.3701318969868677""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.3701318969868677 +""", +) + +entry( + index = 637, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(229.166,'m^3/(mol*s)'), n=1.3148, w0=(297.714,'kJ/mol'), E0=(41.4053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.103776501344874, var=1.2742723451557583, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.523763551692862"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.523763551692862""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.523763551692862 +""", +) + +entry( + index = 638, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1604.06,'m^3/(mol*s)'), n=1.01818, w0=(301,'kJ/mol'), E0=(37.7788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13188354200876223, var=0.6505599700929118, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.9483308264712655"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.9483308264712655""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.9483308264712655 +""", +) + +entry( + index = 639, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4727.47,'m^3/(mol*s)'), n=0.904626, w0=(301,'kJ/mol'), E0=(38.8512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14264331311387887, var=0.8637716732257003, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.221587382267937"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.221587382267937""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.221587382267937 +""", +) + +entry( + index = 640, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(124590,'m^3/(mol*s)'), n=0.583437, w0=(301,'kJ/mol'), E0=(42.6786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17307792713307615, var=0.27395081547601946, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4841537377287528"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4841537377287528""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4841537377287528 +""", +) + +entry( + index = 641, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(214863,'m^3/(mol*s)'), n=0.529094, w0=(301,'kJ/mol'), E0=(40.7487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17822726142472345, var=0.3184604260157681, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.579125262956209"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.579125262956209""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.579125262956209 +""", +) + +entry( + index = 642, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(67076.2,'m^3/(mol*s)'), n=0.667791, w0=(301,'kJ/mol'), E0=(42.3648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 643, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(688266,'m^3/(mol*s)'), n=0.390397, w0=(301,'kJ/mol'), E0=(39.1326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 644, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1588.7,'m^3/(mol*s)'), n=1.01088, w0=(301,'kJ/mol'), E0=(34.4256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1325753467575504, var=0.09331359339088513, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9454957984946751"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9454957984946751""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9454957984946751 +""", +) + +entry( + index = 645, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(496.146,'m^3/(mol*s)'), n=1.14957, w0=(301,'kJ/mol'), E0=(34.3367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1194329791870608, var=0.007629282666217525, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.4751879812683014"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.4751879812683014""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.4751879812683014 +""", +) + +entry( + index = 646, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(652.366,'m^3/(mol*s)'), n=1.10578, w0=(301,'kJ/mol'), E0=(33.5261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 647, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(377.336,'m^3/(mol*s)'), n=1.19337, w0=(301,'kJ/mol'), E0=(35.1474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 648, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(5087.17,'m^3/(mol*s)'), n=0.872181, w0=(301,'kJ/mol'), E0=(34.5145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1457177010192786, var=0.007402286318057998, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.5386053478071609"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.5386053478071609""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.5386053478071609 +""", +) + +entry( + index = 649, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(6692.05,'m^3/(mol*s)'), n=0.828384, w0=(301,'kJ/mol'), E0=(33.7039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 650, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3867.17,'m^3/(mol*s)'), n=0.915978, w0=(301,'kJ/mol'), E0=(35.3252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 651, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(407.501,'m^3/(mol*s)'), n=1.13011, w0=(301,'kJ/mol'), E0=(45.3867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 652, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(234.911,'m^3/(mol*s)'), n=1.2177, w0=(301,'kJ/mol'), E0=(38.5364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 653, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(543.136,'m^3/(mol*s)'), n=1.13498, w0=(301,'kJ/mol'), E0=(34.5365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12081626363930535, var=0.15764699706169333, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0995342083801014"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0995342083801014""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0995342083801014 +""", +) + +entry( + index = 654, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(169.643,'m^3/(mol*s)'), n=1.27367, w0=(301,'kJ/mol'), E0=(34.6191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10767400755102649, var=0.23101805079588086, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.2341003344552293"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.2341003344552293""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.2341003344552293 +""", +) + +entry( + index = 655, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(111.044,'m^3/(mol*s)'), n=1.31017, w0=(301,'kJ/mol'), E0=(34.5721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 656, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(259.165,'m^3/(mol*s)'), n=1.23718, w0=(301,'kJ/mol'), E0=(34.6662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 657, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1738.93,'m^3/(mol*s)'), n=0.996281, w0=(301,'kJ/mol'), E0=(34.454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13395851790766541, var=0.22476781462051987, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.287017757902976"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.287017757902976""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.287017757902976 +""", +) + +entry( + index = 658, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(1140.88,'m^3/(mol*s)'), n=1.03278, w0=(301,'kJ/mol'), E0=(34.3943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 659, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(2650.49,'m^3/(mol*s)'), n=0.959782, w0=(301,'kJ/mol'), E0=(34.5137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 660, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(69.1992,'m^3/(mol*s)'), n=1.3345, w0=(301,'kJ/mol'), E0=(39.1008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 661, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(168.618,'m^3/(mol*s)'), n=1.25664, w0=(301,'kJ/mol'), E0=(39.7738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 662, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.76797,'m^3/(mol*s)'), n=2.05637, w0=(289.5,'kJ/mol'), E0=(29.9831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03240435270265323, var=4.43202628961237, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.301862080793391"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.301862080793391""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.301862080793391 +""", +) + +entry( + index = 663, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.160289,'m^3/(mol*s)'), n=2.19425, w0=(289.5,'kJ/mol'), E0=(53.5424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.032412576861436546, var=1.1942906274110852, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.2722853942323282"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.2722853942323282""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.2722853942323282 +""", +) + +entry( + index = 664, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.185656,'m^3/(mol*s)'), n=2.14234, w0=(289.5,'kJ/mol'), E0=(53.4075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025362236514493722, var=2.7550053481520163, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.391225349334418"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.391225349334418""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.391225349334418 +""", +) + +entry( + index = 665, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0621375,'m^3/(mol*s)'), n=2.21534, w0=(289.5,'kJ/mol'), E0=(54.3415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 666, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.554705,'m^3/(mol*s)'), n=2.06934, w0=(289.5,'kJ/mol'), E0=(52.4735,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 667, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(19.5005,'m^3/(mol*s)'), n=1.91848, w0=(289.5,'kJ/mol'), E0=(21.7174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03838167996915991, var=1.2864796217935721, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.3702687533098783"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.3702687533098783""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.3702687533098783 +""", +) + +entry( + index = 668, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(22.4326,'m^3/(mol*s)'), n=1.86738, w0=(289.5,'kJ/mol'), E0=(49.61,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051416163295850456, var=2.7997703933895486, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.4836122021527673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.4836122021527673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.4836122021527673 +""", +) + +entry( + index = 669, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(7.34705,'m^3/(mol*s)'), n=1.94281, w0=(289.5,'kJ/mol'), E0=(48.8438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 670, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(68.4929,'m^3/(mol*s)'), n=1.79195, w0=(289.5,'kJ/mol'), E0=(50.3762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R_N-Sp-2R!H=1R!H_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 671, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(19.4848,'m^3/(mol*s)'), n=1.54689, w0=(301,'kJ/mol'), E0=(61.0106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03917197556801118, var=0.28038864236686056, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.1599640896605186"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1599640896605186""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1599640896605186 +""", +) + +entry( + index = 672, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0109524,'m^3/(mol*s)'), n=2.44878, w0=(301,'kJ/mol'), E0=(42.8068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03325185945369369, var=0.26128485192694534, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.1082883684194733"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.1082883684194733""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.1082883684194733 +""", +) + +entry( + index = 673, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0186516,'m^3/(mol*s)'), n=2.39864, w0=(301,'kJ/mol'), E0=(19.0293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01568759561160389, var=0.30110162325527284, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1394688871834575"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1394688871834575""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1394688871834575 +""", +) + +entry( + index = 674, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0321786,'m^3/(mol*s)'), n=2.3443, w0=(301,'kJ/mol'), E0=(22.9667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03531326916708152, var=0.38075622638374024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.3257575597048767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3257575597048767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3257575597048767 +""", +) + +entry( + index = 675, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0181,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.7096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 676, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.102857,'m^3/(mol*s)'), n=2.20561, w0=(301,'kJ/mol'), E0=(35.7017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 677, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.166759,'m^3/(mol*s)'), n=2.11537, w0=(301,'kJ/mol'), E0=(49.2493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03696121463573764, var=0.19405756570105948, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9759925764322877"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9759925764322877""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9759925764322877 +""", +) + +entry( + index = 678, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000322394,'m^3/(mol*s)'), n=2.88692, w0=(301,'kJ/mol'), E0=(31.6746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010013413433027965, var=0.3432603784032846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 1.1997020785711323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.1997020785711323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.1997020785711323 +""", +) + +entry( + index = 679, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0144,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.2007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 680, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.0093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 681, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.304972,'m^3/(mol*s)'), n=2.04621, w0=(301,'kJ/mol'), E0=(48.8418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005645286751303403, var=0.08397600701855502, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 0.5951285776519489"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 0.5951285776519489""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 0.5951285776519489 +""", +) + +entry( + index = 682, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0177669,'m^3/(mol*s)'), n=2.3954, w0=(301,'kJ/mol'), E0=(38.3931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 683, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.4469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 684, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0109,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.7509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 685, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0117,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.9963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H-1R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 686, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0547975,'m^3/(mol*s)'), n=2.41029, w0=(301,'kJ/mol'), E0=(68.3547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11787244734329223, var=0.6983143570352672, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.971422915164662"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.971422915164662""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.971422915164662 +""", +) + +entry( + index = 687, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.263115,'m^3/(mol*s)'), n=2.22994, w0=(301,'kJ/mol'), E0=(66.8066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 688, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.95321e-06,'m^3/(mol*s)'), n=3.77587, w0=(289.5,'kJ/mol'), E0=(23.5218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03807148873916837, var=1.444071801444018, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.504737900131721"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.504737900131721""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.504737900131721 +""", +) + +entry( + index = 689, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.57939e-06,'m^3/(mol*s)'), n=3.72396, w0=(289.5,'kJ/mol'), E0=(19.8445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13876305633607902, var=4.941906747268464, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.805257119232999"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.805257119232999""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.805257119232999 +""", +) + +entry( + index = 690, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.106,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.6718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 691, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.294,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(61.3369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-6R!H-inRing_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 692, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(1.38882e-08,'m^3/(mol*s)'), n=4.24633, w0=(295.773,'kJ/mol'), E0=(32.4586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2590379568009725, var=1.6130774145684104, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 3.1970027093784483"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 3.1970027093784483""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 3.1970027093784483 +""", +) + +entry( + index = 693, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(7.54138e-08,'m^3/(mol*s)'), n=3.99001, w0=(301,'kJ/mol'), E0=(21.4715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04948496322050876, var=2.7792488752678612, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.4664438385473315"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.4664438385473315""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.4664438385473315 +""", +) + +entry( + index = 694, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000393557,'m^3/(mol*s)'), n=2.97807, w0=(301,'kJ/mol'), E0=(52.9495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21584802583595483, var=6.021202626139462, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 5.461578509803509"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.461578509803509""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 5.461578509803509 +""", +) + +entry( + index = 695, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0235713,'m^3/(mol*s)'), n=2.64258, w0=(301,'kJ/mol'), E0=(62.646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6765280117873209, var=0.5952396947604798, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.246507894360904"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.246507894360904""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.246507894360904 +""", +) + +entry( + index = 696, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00168716,'m^3/(mol*s)'), n=2.6232, w0=(301,'kJ/mol'), E0=(51.675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4678445812749186, var=6.172942539404263, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 8.668897624198701"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 8.668897624198701""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 8.668897624198701 +""", +) + +entry( + index = 697, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(7.25824,'m^3/(mol*s)'), n=1.81608, w0=(289.5,'kJ/mol'), E0=(80.7509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1454351687304633, var=1.3134890893770204, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.6629927859546587"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.6629927859546587""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.6629927859546587 +""", +) + +entry( + index = 698, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.436383,'m^3/(mol*s)'), n=2.17867, w0=(289.5,'kJ/mol'), E0=(73.1681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.48710853994314146, var=1.145935740792064, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.3699273911307537"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.3699273911307537""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.3699273911307537 +""", +) + +entry( + index = 699, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.365818,'m^3/(mol*s)'), n=2.19874, w0=(289.5,'kJ/mol'), E0=(73.1999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011310001899093628, var=0.0680995031491601, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 0.5515703804726099"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.5515703804726099""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.5515703804726099 +""", +) + +entry( + index = 700, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.111,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(60.349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 701, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0292303,'m^3/(mol*s)'), n=2.58928, w0=(301,'kJ/mol'), E0=(92.0719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15788807698261972, var=0.0012721486143391686, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 0.46820698274605443"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.46820698274605443""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.46820698274605443 +""", +) + +entry( + index = 702, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.5987e+07,'m^3/(mol*s)'), n=-0.148994, w0=(297.974,'kJ/mol'), E0=(87.7392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010561312639769468, var=6.148861443680097, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R',), comment="""BM rule fitted to 19 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.9976570600491605"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.9976570600491605""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.9976570600491605 +""", +) + +entry( + index = 703, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0593321,'m^3/(mol*s)'), n=2.34773, w0=(298.125,'kJ/mol'), E0=(40.5915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0608282323965481, var=17.100154280515188, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 8.442881964508933"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.442881964508933""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.442881964508933 +""", +) + +entry( + index = 704, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(32.6467,'m^3/(mol*s)'), n=1.42696, w0=(301,'kJ/mol'), E0=(41.5388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09314858699574681, var=1.389246925758376, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 2.5969491260521695"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.5969491260521695""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 2.5969491260521695 +""", +) + +entry( + index = 705, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(64.9257,'m^3/(mol*s)'), n=1.38803, w0=(301,'kJ/mol'), E0=(42.6456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 706, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0523677,'m^3/(mol*s)'), n=2.36595, w0=(297.55,'kJ/mol'), E0=(40.402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06247879986189324, var=18.004769402543896, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 8.663479261265875"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 8.663479261265875""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 8.663479261265875 +""", +) + +entry( + index = 707, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.0802e+06,'m^3/(mol*s)'), n=0.293071, w0=(301,'kJ/mol'), E0=(36.9609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.20059192091379982, var=1.803486063847469, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.1962373977228293"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1962373977228293""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1962373977228293 +""", +) + +entry( + index = 708, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.84821e+07,'m^3/(mol*s)'), n=-0.0281178, w0=(301,'kJ/mol'), E0=(40.7644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 709, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(276581,'m^3/(mol*s)'), n=0.409868, w0=(301,'kJ/mol'), E0=(33.179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 710, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(159998,'m^3/(mol*s)'), n=0.497463, w0=(301,'kJ/mol'), E0=(36.9392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 711, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.296107,'m^3/(mol*s)'), n=2.24756, w0=(301,'kJ/mol'), E0=(40.8212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03652360803975476, var=43.266764129680915, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 13.278409300946716"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 13.278409300946716""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 13.278409300946716 +""", +) + +entry( + index = 712, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.582885,'m^3/(mol*s)'), n=2.49987, w0=(301,'kJ/mol'), E0=(41.8544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.6628792084089037, var=6.942335182129119, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 9.460226890136866"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 9.460226890136866""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 9.460226890136866 +""", +) + +entry( + index = 713, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.150423,'m^3/(mol*s)'), n=1.99524, w0=(301,'kJ/mol'), E0=(39.7881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.367222484527471, var=25.16258297087088, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 18.516574146770427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 18.516574146770427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 18.516574146770427 +""", +) + +entry( + index = 714, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000399603,'m^3/(mol*s)'), n=2.78203, w0=(289.5,'kJ/mol'), E0=(43.2841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.8776613363345236, var=37.516093539517215, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 22.021946705387666"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 22.021946705387666""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 22.021946705387666 +""", +) + +entry( + index = 715, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000231326,'m^3/(mol*s)'), n=2.83594, w0=(289.5,'kJ/mol'), E0=(41.9937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.763781937135426, var=17.42561194901638, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 15.31274100946577"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 15.31274100946577""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 15.31274100946577 +""", +) + +entry( + index = 716, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(19231.1,'m^3/(mol*s)'), n=1.03764, w0=(289.5,'kJ/mol'), E0=(45.8649,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 717, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(2.85891,'m^3/(mol*s)'), n=1.90885, w0=(296.4,'kJ/mol'), E0=(62.4031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18415801759815076, var=0.6610311782986662, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 2.0926348641903276"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 2.0926348641903276""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 2.0926348641903276 +""", +) + +entry( + index = 718, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00101566,'m^3/(mol*s)'), n=2.8083, w0=(301,'kJ/mol'), E0=(36.4615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9867344344418983, var=2.416527522213424, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.5956298550106895"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.5956298550106895""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.5956298550106895 +""", +) + +entry( + index = 719, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.2705,'m^3/(mol*s)'), n=1.78709, w0=(301,'kJ/mol'), E0=(34.0083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 720, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.92785,'m^3/(mol*s)'), n=2.0495, w0=(289.5,'kJ/mol'), E0=(66.4831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.042005543747911, var=3.1204706033409355, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.159439589436438"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.159439589436438""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.159439589436438 +""", +) + +entry( + index = 721, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00246267,'m^3/(mol*s)'), n=2.52629, w0=(301,'kJ/mol'), E0=(58.0148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.268376709128513, var=12.90170415887281, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 12.900235324653114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 12.900235324653114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 12.900235324653114 +""", +) + +entry( + index = 722, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.0166918,'m^3/(mol*s)'), n=2.44121, w0=(289.5,'kJ/mol'), E0=(63.4376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08228488727093608, var=0.43578118636995633, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.5301462451395555"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.5301462451395555""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.5301462451395555 +""", +) + +entry( + index = 723, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(35.6,'m^3/(mol*s)'), n=1.489, w0=(289.5,'kJ/mol'), E0=(73.8656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 724, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(2.034,'m^3/(mol*s)'), n=1.842, w0=(289.5,'kJ/mol'), E0=(74.308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 725, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(2.12586,'m^3/(mol*s)'), n=1.91104, w0=(291.8,'kJ/mol'), E0=(69.472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11091709879380704, var=4.711000127159312, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 4.629931279519667"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.629931279519667""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.629931279519667 +""", +) + +entry( + index = 726, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(8.39207,'m^3/(mol*s)'), n=1.75592, w0=(289.5,'kJ/mol'), E0=(74.3186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051600660061139086, var=15.084252641428844, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 7.915730375979907"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.915730375979907""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 7.915730375979907 +""", +) + +entry( + index = 727, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.21345,'m^3/(mol*s)'), n=2.28, w0=(289.5,'kJ/mol'), E0=(55.4224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 728, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.227111,'m^3/(mol*s)'), n=2.12288, w0=(301,'kJ/mol'), E0=(35.8802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 729, + label = "Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(12.5311,'m^3/(mol*s)'), n=1.66186, w0=(289.5,'kJ/mol'), E0=(67.8281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.3342074887036173, var=4.440374479450047, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 7.5766971877807645"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 7.5766971877807645""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_3R-inRing_Ext-3R-R_N-Sp-4R!H-3R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 7.5766971877807645 +""", +) + +entry( + index = 730, + label = "Root_N-3R-inRing", + kinetics = ArrheniusBM(A=(3.34129e+07,'m^3/(mol*s)'), n=-0.438963, w0=(299.883,'kJ/mol'), E0=(73.2463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03582658382817479, var=13.806629748412522, Tref=1000.0, N=2433, data_mean=0.0, correlation='Root_N-3R-inRing',), comment="""BM rule fitted to 2433 training reactions at node Root_N-3R-inRing + Total Standard Deviation in ln(k): 7.539065501253613"""), + rank = 11, + shortDesc = """BM rule fitted to 2433 training reactions at node Root_N-3R-inRing +Total Standard Deviation in ln(k): 7.539065501253613""", + longDesc = +""" +BM rule fitted to 2433 training reactions at node Root_N-3R-inRing +Total Standard Deviation in ln(k): 7.539065501253613 +""", +) + +entry( + index = 731, + label = "Root_N-3R-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.27571e+07,'m^3/(mol*s)'), n=-0.398375, w0=(299.728,'kJ/mol'), E0=(84.3739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1291939063702268, var=16.66736857018516, Tref=1000.0, N=2207, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R',), comment="""BM rule fitted to 2207 training reactions at node Root_N-3R-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 8.509076822525964"""), + rank = 11, + shortDesc = """BM rule fitted to 2207 training reactions at node Root_N-3R-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 8.509076822525964""", + longDesc = +""" +BM rule fitted to 2207 training reactions at node Root_N-3R-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 8.509076822525964 +""", +) + +entry( + index = 732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(9.10216e-08,'m^3/(mol*s)'), n=3.71185, w0=(299.372,'kJ/mol'), E0=(58.9782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.339286171633947, var=3.7349511333863634, Tref=1000.0, N=1489, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R',), comment="""BM rule fitted to 1489 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.7268331717084155"""), + rank = 11, + shortDesc = """BM rule fitted to 1489 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.7268331717084155""", + longDesc = +""" +BM rule fitted to 1489 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.7268331717084155 +""", +) + +entry( + index = 733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(9.07578e-06,'m^3/(mol*s)'), n=3.04336, w0=(299.503,'kJ/mol'), E0=(64.4187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3757377757886876, var=2.242054186761003, Tref=1000.0, N=1042, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1042 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.945852933101484"""), + rank = 11, + shortDesc = """BM rule fitted to 1042 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.945852933101484""", + longDesc = +""" +BM rule fitted to 1042 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.945852933101484 +""", +) + +entry( + index = 734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.77465e-06,'m^3/(mol*s)'), n=3.32218, w0=(299.496,'kJ/mol'), E0=(72.1902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41126989304194095, var=3.2508672864246173, Tref=1000.0, N=260, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R',), comment="""BM rule fitted to 260 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.647911188204675"""), + rank = 11, + shortDesc = """BM rule fitted to 260 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.647911188204675""", + longDesc = +""" +BM rule fitted to 260 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.647911188204675 +""", +) + +entry( + index = 735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.35886e-07,'m^3/(mol*s)'), n=3.63838, w0=(299.789,'kJ/mol'), E0=(70.7187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4448968238810906, var=2.678258926830472, Tref=1000.0, N=228, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 228 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.398657759452131"""), + rank = 11, + shortDesc = """BM rule fitted to 228 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.398657759452131""", + longDesc = +""" +BM rule fitted to 228 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.398657759452131 +""", +) + +entry( + index = 736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.45319e-05,'m^3/(mol*s)'), n=2.85595, w0=(301,'kJ/mol'), E0=(79.2769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3346816723472882, var=1.642747564495687, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 3.4103719441893774"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.4103719441893774""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.4103719441893774 +""", +) + +entry( + index = 737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.47636e-05,'m^3/(mol*s)'), n=2.78791, w0=(301,'kJ/mol'), E0=(82.9687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34446917142728534, var=0.8252902936142644, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 2.686711822051114"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.686711822051114""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 2.686711822051114 +""", +) + +entry( + index = 738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.65348e-05,'m^3/(mol*s)'), n=2.7811, w0=(301,'kJ/mol'), E0=(83.5383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3412752941632613, var=0.8903790177967472, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7491415693395704"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7491415693395704""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7491415693395704 +""", +) + +entry( + index = 739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.000234083,'m^3/(mol*s)'), n=2.51298, w0=(301,'kJ/mol'), E0=(89.1579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3522957957191441, var=0.7115510398152485, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 2.576229214696723"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.576229214696723""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.576229214696723 +""", +) + +entry( + index = 740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.000291871,'m^3/(mol*s)'), n=2.38533, w0=(301,'kJ/mol'), E0=(92.5674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33965889848561664, var=0.11583099686871803, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 1.535704915317072"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.535704915317072""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.535704915317072 +""", +) + +entry( + index = 741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000324904,'m^3/(mol*s)'), n=2.41887, w0=(301,'kJ/mol'), E0=(93.675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3426300740540446, var=0.0462188180564561, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2918688024262663"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2918688024262663""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2918688024262663 +""", +) + +entry( + index = 742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000329,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(92.992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000155,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(90.8838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(1.21683e-05,'m^3/(mol*s)'), n=2.92099, w0=(301,'kJ/mol'), E0=(84.6279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38755226146997657, var=0.17153829183849734, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 1.8040541650621496"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.8040541650621496""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 1.8040541650621496 +""", +) + +entry( + index = 745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.13321e-06,'m^3/(mol*s)'), n=3.23731, w0=(301,'kJ/mol'), E0=(83.498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4534921398539622, var=0.3377322288760382, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.30447394140293"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.30447394140293""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.30447394140293 +""", +) + +entry( + index = 746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.0024371,'m^3/(mol*s)'), n=2.36859, w0=(301,'kJ/mol'), E0=(103.297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46162565843596354, var=0.033954193153632586, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 1.5292692522487235"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.5292692522487235""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.5292692522487235 +""", +) + +entry( + index = 747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(103.322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000578067,'m^3/(mol*s)'), n=2.41131, w0=(301,'kJ/mol'), E0=(84.2622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4379371243452454, var=7.496430434741289e-06, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.1058334199869868"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.1058334199869868""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.1058334199869868 +""", +) + +entry( + index = 749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00054,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.3526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000632,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.1956,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000606,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.1835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000709,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.6944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000536793,'m^3/(mol*s)'), n=2.41119, w0=(301,'kJ/mol'), E0=(85.9382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33376226521071567, var=0.20703085927145415, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.750766024439037"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.750766024439037""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.750766024439037 +""", +) + +entry( + index = 754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000476,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.3598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000617,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.5373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-1R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000534,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.2208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000693,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.3165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000711914,'m^3/(mol*s)'), n=2.35802, w0=(301,'kJ/mol'), E0=(78.7457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34405270028340934, var=1.4856998088245617, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.308011296676627"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.308011296676627""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.308011296676627 +""", +) + +entry( + index = 759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000533,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.6455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000424,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.5734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000456,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.6517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000599,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.3306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000476,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.0033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000512,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000422,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.3605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000351051,'m^3/(mol*s)'), n=2.59348, w0=(301,'kJ/mol'), E0=(79.0284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.291688960803542, var=0.9430082650753693, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.679657257149573"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.679657257149573""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.679657257149573 +""", +) + +entry( + index = 767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000651084,'m^3/(mol*s)'), n=2.51945, w0=(301,'kJ/mol'), E0=(83.2811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31857313563332224, var=0.6929028408520992, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.469192244330485"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.469192244330485""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.469192244330485 +""", +) + +entry( + index = 768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.00083856,'m^3/(mol*s)'), n=2.38781, w0=(301,'kJ/mol'), E0=(86.7616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3184068112945413, var=0.09911598244339853, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.4311616609895628"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.4311616609895628""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.4311616609895628 +""", +) + +entry( + index = 769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00106503,'m^3/(mol*s)'), n=2.40473, w0=(301,'kJ/mol'), E0=(88.0875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3208115774143793, var=0.00011035208880704112, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8271187015547184"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8271187015547184""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8271187015547184 +""", +) + +entry( + index = 770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000965,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000455,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.6981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(5.744e-05,'m^3/(mol*s)'), n=2.86162, w0=(301,'kJ/mol'), E0=(79.3457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3436776629428872, var=0.16062459909419463, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 1.6669694169807148"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.6669694169807148""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.6669694169807148 +""", +) + +entry( + index = 773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.40911e-06,'m^3/(mol*s)'), n=3.12161, w0=(301,'kJ/mol'), E0=(78.8936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3932115988963761, var=0.332062605421734, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.1431948952550197"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1431948952550197""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1431948952550197 +""", +) + +entry( + index = 774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.00667078,'m^3/(mol*s)'), n=2.37675, w0=(301,'kJ/mol'), E0=(97.6237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4511171681045982, var=0.022589925470220318, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.4347708062311437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.4347708062311437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.4347708062311437 +""", +) + +entry( + index = 775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00482,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(97.6273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00167881,'m^3/(mol*s)'), n=2.41227, w0=(301,'kJ/mol'), E0=(78.9329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31299876215148664, var=0.004053868316329777, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.9140705238207414"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.9140705238207414""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.9140705238207414 +""", +) + +entry( + index = 777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00158,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.7538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.1525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.8804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.4175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00161538,'m^3/(mol*s)'), n=2.40773, w0=(301,'kJ/mol'), E0=(80.1315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31380906355499505, var=0.035578086787768436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.166601209026694"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.166601209026694""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.166601209026694 +""", +) + +entry( + index = 782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.7335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.4907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00203,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.0487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00289101,'m^3/(mol*s)'), n=2.31741, w0=(301,'kJ/mol'), E0=(72.4947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31717407265817504, var=1.1385147016557364, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.9359962527950145"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.9359962527950145""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.9359962527950145 +""", +) + +entry( + index = 787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00156,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.1336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00175,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.7885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.5437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0015,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.4851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(4.77953e-09,'m^3/(mol*s)'), n=4.08741, w0=(299.5,'kJ/mol'), E0=(66.3419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49387923460972744, var=2.4027598208741017, Tref=1000.0, N=184, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 184 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 4.348409988172626"""), + rank = 11, + shortDesc = """BM rule fitted to 184 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.348409988172626""", + longDesc = +""" +BM rule fitted to 184 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.348409988172626 +""", +) + +entry( + index = 795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.51296e-05,'m^3/(mol*s)'), n=2.88157, w0=(301,'kJ/mol'), E0=(73.9774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5053441264498967, var=1.8276894876575487, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.9799516417815872"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9799516417815872""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9799516417815872 +""", +) + +entry( + index = 796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.99586e-05,'m^3/(mol*s)'), n=2.82983, w0=(301,'kJ/mol'), E0=(77.1914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5161596642840117, var=1.0140508818760057, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.3156536747569563"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.3156536747569563""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.3156536747569563 +""", +) + +entry( + index = 797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.07126e-05,'m^3/(mol*s)'), n=2.82928, w0=(301,'kJ/mol'), E0=(77.6945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5126066602465883, var=1.0796353461336916, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.370986489855638"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.370986489855638""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.370986489855638 +""", +) + +entry( + index = 798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.00017181,'m^3/(mol*s)'), n=2.65296, w0=(301,'kJ/mol'), E0=(82.0088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5022948978298557, var=0.8940586192494268, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 3.1576181796048193"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 3.1576181796048193""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 3.1576181796048193 +""", +) + +entry( + index = 799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing", + kinetics = ArrheniusBM(A=(0.000449882,'m^3/(mol*s)'), n=2.43316, w0=(301,'kJ/mol'), E0=(86.2943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5069222874640322, var=0.3187413020921626, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing + Total Standard Deviation in ln(k): 2.4054909531743625"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing +Total Standard Deviation in ln(k): 2.4054909531743625""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing +Total Standard Deviation in ln(k): 2.4054909531743625 +""", +) + +entry( + index = 800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000620264,'m^3/(mol*s)'), n=2.43999, w0=(301,'kJ/mol'), E0=(87.2705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.506810066038709, var=0.24797755913136005, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.2716969730329954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2716969730329954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2716969730329954 +""", +) + +entry( + index = 801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000922774,'m^3/(mol*s)'), n=2.40084, w0=(301,'kJ/mol'), E0=(86.7904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4932066998150472, var=0.05435690123199559, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7066081069053685"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7066081069053685""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7066081069053685 +""", +) + +entry( + index = 802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(89.9645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000655,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.0231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000692,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.1619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000441812,'m^3/(mol*s)'), n=2.39883, w0=(301,'kJ/mol'), E0=(84.2276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49597937975507705, var=0.1051959138266731, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.896393508586247"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.896393508586247""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.896393508586247 +""", +) + +entry( + index = 806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000654,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.4159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000309,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.9113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000326,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.0721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_11R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing", + kinetics = ArrheniusBM(A=(3.84572e-06,'m^3/(mol*s)'), n=3.16573, w0=(301,'kJ/mol'), E0=(76.5171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5356129175663386, var=0.4630129664302732, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing + Total Standard Deviation in ln(k): 2.7098842081672023"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing +Total Standard Deviation in ln(k): 2.7098842081672023""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing +Total Standard Deviation in ln(k): 2.7098842081672023 +""", +) + +entry( + index = 810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.99155e-07,'m^3/(mol*s)'), n=3.38212, w0=(301,'kJ/mol'), E0=(75.8158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5977326674805469, var=0.3897319315462909, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7533671843297727"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7533671843297727""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7533671843297727 +""", +) + +entry( + index = 811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R", + kinetics = ArrheniusBM(A=(0.00160617,'m^3/(mol*s)'), n=2.52172, w0=(301,'kJ/mol'), E0=(95.4167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6051876165744494, var=0.4403798022921319, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R + Total Standard Deviation in ln(k): 2.8509365173870913"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 2.8509365173870913""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R +Total Standard Deviation in ln(k): 2.8509365173870913 +""", +) + +entry( + index = 812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00412458,'m^3/(mol*s)'), n=2.41461, w0=(301,'kJ/mol'), E0=(95.4771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5899749922574695, var=0.3740011253916715, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.7083576215804173"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.7083576215804173""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.7083576215804173 +""", +) + +entry( + index = 813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00693,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(95.8498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00327,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(95.5023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00346,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(95.2037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-13R!H-R_Ext-8R!H-R_N-Sp-15R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00165434,'m^3/(mol*s)'), n=2.3993, w0=(301,'kJ/mol'), E0=(78.0798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46528105470542425, var=0.045056302075383206, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.5945823621929072"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5945823621929072""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5945823621929072 +""", +) + +entry( + index = 817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00236926,'m^3/(mol*s)'), n=2.41454, w0=(301,'kJ/mol'), E0=(80.9793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3666998113875001, var=0.004520727921262308, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.0561473966323136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.0561473966323136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.0561473966323136 +""", +) + +entry( + index = 818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00227,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.8716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.1688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00115825,'m^3/(mol*s)'), n=2.41031, w0=(301,'kJ/mol'), E0=(76.475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3290470264920688, var=0.006120653446911764, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 0.9835909801050997"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 0.9835909801050997""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 0.9835909801050997 +""", +) + +entry( + index = 821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00121227,'m^3/(mol*s)'), n=2.41139, w0=(301,'kJ/mol'), E0=(76.4685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7025616307977446, var=0.00012510782607366643, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 1.7876535126912352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 1.7876535126912352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 1.7876535126912352 +""", +) + +entry( + index = 824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00113,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.5636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00133,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.3988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.0186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00118,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.1984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Ext-2R!H-R_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(1.7395e-06,'m^3/(mol*s)'), n=3.2169, w0=(301,'kJ/mol'), E0=(75.5202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4948470713666058, var=1.893888266278634, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 4.00222295936678"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 4.00222295936678""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 4.00222295936678 +""", +) + +entry( + index = 829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00128543,'m^3/(mol*s)'), n=2.40525, w0=(301,'kJ/mol'), E0=(79.0536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4014774041516856, var=0.251002435161222, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.0131123415066683"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0131123415066683""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0131123415066683 +""", +) + +entry( + index = 830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.002,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.7413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000947,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.001,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.5631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H", + kinetics = ArrheniusBM(A=(0.00075052,'m^3/(mol*s)'), n=2.49438, w0=(301,'kJ/mol'), E0=(79.3109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3796899201398289, var=0.4488411996116243, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H + Total Standard Deviation in ln(k): 2.2970793036407335"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 2.2970793036407335""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H +Total Standard Deviation in ln(k): 2.2970793036407335 +""", +) + +entry( + index = 834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00182883,'m^3/(mol*s)'), n=2.39398, w0=(301,'kJ/mol'), E0=(78.8897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36232397843310193, var=0.10877727414899845, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.571551448314186"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.571551448314186""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.571551448314186 +""", +) + +entry( + index = 835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.9915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00123,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.5697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.6991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-11R!H-R_N-11R!H-inRing_N-Sp-12R!H=11R!H_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00191902,'m^3/(mol*s)'), n=2.35923, w0=(301,'kJ/mol'), E0=(70.3352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40394406843226444, var=0.8026021599584539, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.810938232920786"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.810938232920786""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.810938232920786 +""", +) + +entry( + index = 839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00137528,'m^3/(mol*s)'), n=2.41092, w0=(301,'kJ/mol'), E0=(67.5488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36565493973748814, var=0.05057005083510067, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.369551533609174"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.369551533609174""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.369551533609174 +""", +) + +entry( + index = 840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00224,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00106,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8648,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0011318,'m^3/(mol*s)'), n=2.39638, w0=(301,'kJ/mol'), E0=(75.6354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5439134830912449, var=2.03656864666785, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H + Total Standard Deviation in ln(k): 4.227542077172536"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 4.227542077172536""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 4.227542077172536 +""", +) + +entry( + index = 844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00109821,'m^3/(mol*s)'), n=2.41034, w0=(301,'kJ/mol'), E0=(74.8855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5033398220994187, var=3.565493751892953, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.050116949920252"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.050116949920252""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.050116949920252 +""", +) + +entry( + index = 845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.1884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000843,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.7114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00089,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.7547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00108019,'m^3/(mol*s)'), n=2.41131, w0=(301,'kJ/mol'), E0=(79.4941,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44984871171176644, var=0.6043815900444545, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H + Total Standard Deviation in ln(k): 2.6887939454462613"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 2.6887939454462613""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H +Total Standard Deviation in ln(k): 2.6887939454462613 +""", +) + +entry( + index = 849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00118959,'m^3/(mol*s)'), n=2.40958, w0=(301,'kJ/mol'), E0=(78.0907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42320169657490425, var=0.4011661448827653, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.3330734928516548"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3330734928516548""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3330734928516548 +""", +) + +entry( + index = 850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.3347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000907,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.0186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000957,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-11R!H-2R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00115527,'m^3/(mol*s)'), n=2.40375, w0=(301,'kJ/mol'), E0=(75.2589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4633266858151388, var=0.49190812420326735, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.5701816462335043"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5701816462335043""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5701816462335043 +""", +) + +entry( + index = 854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.1123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00084,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.9242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000887,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.5755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00045376,'m^3/(mol*s)'), n=2.66303, w0=(301,'kJ/mol'), E0=(73.6554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4656193454801715, var=1.2877227540806688, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.44482856749513"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.44482856749513""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.44482856749513 +""", +) + +entry( + index = 858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.000353693,'m^3/(mol*s)'), n=2.69685, w0=(301,'kJ/mol'), E0=(76.458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.467517055306002, var=1.02782240432263, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.2070979931880386"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.2070979931880386""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.2070979931880386 +""", +) + +entry( + index = 859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.00100917,'m^3/(mol*s)'), n=2.46634, w0=(301,'kJ/mol'), E0=(80.9577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49463661124651404, var=0.4851085009072377, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 2.639098141785854"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 2.639098141785854""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 2.639098141785854 +""", +) + +entry( + index = 860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00148856,'m^3/(mol*s)'), n=2.46469, w0=(301,'kJ/mol'), E0=(82.0662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49347736158031424, var=0.4711566136838888, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.615960043484059"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.615960043484059""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.615960043484059 +""", +) + +entry( + index = 861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00268738,'m^3/(mol*s)'), n=2.40153, w0=(301,'kJ/mol'), E0=(81.2532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47923057820595283, var=0.10264325672165493, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.8463736799434152"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8463736799434152""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8463736799434152 +""", +) + +entry( + index = 862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00406,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.4999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.9303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00203,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.1156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00122111,'m^3/(mol*s)'), n=2.40619, w0=(301,'kJ/mol'), E0=(78.4852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48282529154729037, var=0.20816889208108988, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.1277998626784447"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1277998626784447""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1277998626784447 +""", +) + +entry( + index = 866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.7452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000905,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.7015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000956,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.9115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(1.26243e-05,'m^3/(mol*s)'), n=3.15157, w0=(301,'kJ/mol'), E0=(71.4646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4875690000860499, var=0.6175839034223506, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 2.800499004684792"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.800499004684792""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.800499004684792 +""", +) + +entry( + index = 870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(5.27863e-06,'m^3/(mol*s)'), n=3.28098, w0=(301,'kJ/mol'), E0=(71.6498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5288409162081041, var=0.4790148164003174, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7162411357451153"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7162411357451153""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7162411357451153 +""", +) + +entry( + index = 871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.00297065,'m^3/(mol*s)'), n=2.57886, w0=(301,'kJ/mol'), E0=(89.6718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6048378258714772, var=0.5738597838439323, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 3.0383506883609614"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 3.0383506883609614""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 3.0383506883609614 +""", +) + +entry( + index = 872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0121063,'m^3/(mol*s)'), n=2.41426, w0=(301,'kJ/mol'), E0=(89.8757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5866594087517609, var=0.37663467229215253, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.704335936204761"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.704335936204761""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.704335936204761 +""", +) + +entry( + index = 873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0203,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(90.2327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00959,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(89.8863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(89.6217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00469458,'m^3/(mol*s)'), n=2.40335, w0=(301,'kJ/mol'), E0=(72.3124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38271018147801944, var=0.07349919638096501, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.5050817891097297"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5050817891097297""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5050817891097297 +""", +) + +entry( + index = 877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0070202,'m^3/(mol*s)'), n=2.4132, w0=(301,'kJ/mol'), E0=(74.5539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35213453494348046, var=0.003995365852184635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.0114772499746054"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.0114772499746054""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.0114772499746054 +""", +) + +entry( + index = 878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00666,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.3987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00779,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.7662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00334398,'m^3/(mol*s)'), n=2.41224, w0=(301,'kJ/mol'), E0=(70.9716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2070520596043164, var=0.0044785442999099095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.6543920398402362"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6543920398402362""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.6543920398402362 +""", +) + +entry( + index = 881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00315,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.8095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00368,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.1736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00351787,'m^3/(mol*s)'), n=2.41265, w0=(301,'kJ/mol'), E0=(71.1754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5910049275400401, var=0.004488673501007165, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 1.6192493693094374"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.6192493693094374""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.6192493693094374 +""", +) + +entry( + index = 884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00332,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.0032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00389,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.3949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00296,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.5439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00346,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.8726,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(1.17009e-06,'m^3/(mol*s)'), n=3.40003, w0=(301,'kJ/mol'), E0=(68.1884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4751081267013537, var=2.8433346668607196, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 4.574161478982765"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 4.574161478982765""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 4.574161478982765 +""", +) + +entry( + index = 889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00369718,'m^3/(mol*s)'), n=2.40755, w0=(301,'kJ/mol'), E0=(72.436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38899780864727634, var=0.25133686633486213, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9824254569563546"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9824254569563546""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9824254569563546 +""", +) + +entry( + index = 890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00587,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.1547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00277,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.1074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00293,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.9827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00157685,'m^3/(mol*s)'), n=2.53564, w0=(301,'kJ/mol'), E0=(73.9973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3640721682915852, var=0.7558178775957981, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 2.6576264994395125"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.6576264994395125""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.6576264994395125 +""", +) + +entry( + index = 894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00496506,'m^3/(mol*s)'), n=2.40317, w0=(301,'kJ/mol'), E0=(73.2963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34481746437762467, var=0.21011653029398025, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7853154193262526"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7853154193262526""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7853154193262526 +""", +) + +entry( + index = 895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00761,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.5103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00359,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.5116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0038,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.6915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0242906,'m^3/(mol*s)'), n=2.1772, w0=(301,'kJ/mol'), E0=(65.8752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36568779600147266, var=1.2618117010259975, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.1707403326625077"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1707403326625077""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1707403326625077 +""", +) + +entry( + index = 899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00357653,'m^3/(mol*s)'), n=2.42584, w0=(301,'kJ/mol'), E0=(60.6037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3466399983342928, var=0.08105250907343686, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4416972800883185"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4416972800883185""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4416972800883185 +""", +) + +entry( + index = 900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00657,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.49,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00311,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00328,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.5961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0217135,'m^3/(mol*s)'), n=2.16262, w0=(301,'kJ/mol'), E0=(71.8592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5074962024509027, var=2.56536322757784, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 4.486050405713743"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 4.486050405713743""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 4.486050405713743 +""", +) + +entry( + index = 904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0272498,'m^3/(mol*s)'), n=2.14466, w0=(301,'kJ/mol'), E0=(70.7571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4669473047082688, var=4.186822878572832, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.275268698586786"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.275268698586786""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.275268698586786 +""", +) + +entry( + index = 905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00523,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00247,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.3353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00261,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.5259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00573017,'m^3/(mol*s)'), n=2.33744, w0=(301,'kJ/mol'), E0=(73.0296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4280230137544102, var=0.8364001990361538, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 2.9088635251252497"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 2.9088635251252497""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 2.9088635251252497 +""", +) + +entry( + index = 909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00353645,'m^3/(mol*s)'), n=2.40771, w0=(301,'kJ/mol'), E0=(70.4687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4085509603014959, var=0.4061387010413172, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.304107814825374"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.304107814825374""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.304107814825374 +""", +) + +entry( + index = 910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00562,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.6847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.3595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0028,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.3026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00516578,'m^3/(mol*s)'), n=2.35103, w0=(301,'kJ/mol'), E0=(69.2428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4436126552224039, var=0.7989007565670738, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.906461900664788"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.906461900664788""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.906461900664788 +""", +) + +entry( + index = 914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0052,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00246,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.9134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.8828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(6.8194e-16,'m^3/(mol*s)'), n=6.04328, w0=(298.125,'kJ/mol'), E0=(54.5764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5989333482572236, var=2.1329703306381447, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 4.432711525538756"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 4.432711525538756""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 4.432711525538756 +""", +) + +entry( + index = 918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.48948e-11,'m^3/(mol*s)'), n=4.79504, w0=(298.476,'kJ/mol'), E0=(65.7368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45761275139396856, var=2.048828096657144, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.019304046240035"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.019304046240035""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.019304046240035 +""", +) + +entry( + index = 919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.000655699,'m^3/(mol*s)'), n=2.44162, w0=(301,'kJ/mol'), E0=(86.6809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2267675698789969, var=0.32788203881472633, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 1.7176988128416548"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.7176988128416548""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 1.7176988128416548 +""", +) + +entry( + index = 920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00081671,'m^3/(mol*s)'), n=2.46114, w0=(301,'kJ/mol'), E0=(87.4181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2244435612193368, var=0.28550422629731176, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6351105307354208"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6351105307354208""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6351105307354208 +""", +) + +entry( + index = 921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0011045,'m^3/(mol*s)'), n=2.43712, w0=(301,'kJ/mol'), E0=(86.4889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1513856307229334, var=0.08181947408712763, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.9538024041206891"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.9538024041206891""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.9538024041206891 +""", +) + +entry( + index = 922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.4947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00144,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.9689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000449595,'m^3/(mol*s)'), n=2.45524, w0=(301,'kJ/mol'), E0=(84.2305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2170464940478487, var=0.206650554636114, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4566721315189441"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4566721315189441""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4566721315189441 +""", +) + +entry( + index = 925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000616,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.8977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000679,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.3685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(1.09988e-25,'m^3/(mol*s)'), n=8.87198, w0=(298.043,'kJ/mol'), E0=(25.9941,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6718068661913529, var=1.800488469451162, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 4.377956217047507"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 4.377956217047507""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 4.377956217047507 +""", +) + +entry( + index = 928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.73141e-07,'m^3/(mol*s)'), n=3.60472, w0=(297.714,'kJ/mol'), E0=(77.4829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37985823776167826, var=1.6691604291502715, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.5444550485792243"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.5444550485792243""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.5444550485792243 +""", +) + +entry( + index = 929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(4.65351e-07,'m^3/(mol*s)'), n=3.48391, w0=(301,'kJ/mol'), E0=(75.9248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3396933420380758, var=0.4518627711087714, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.2010985873518623"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.2010985873518623""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.2010985873518623 +""", +) + +entry( + index = 930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.66346e-08,'m^3/(mol*s)'), n=3.79105, w0=(301,'kJ/mol'), E0=(75.2415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4152135707694833, var=0.5931746833186159, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.587253722159125"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.587253722159125""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.587253722159125 +""", +) + +entry( + index = 931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(5.53546e-05,'m^3/(mol*s)'), n=2.99615, w0=(301,'kJ/mol'), E0=(92.0794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4447759598070046, var=0.6861500227953439, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 2.7781332607784717"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 2.7781332607784717""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 2.7781332607784717 +""", +) + +entry( + index = 932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.10199e-06,'m^3/(mol*s)'), n=3.36824, w0=(301,'kJ/mol'), E0=(88.0394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39407897800117575, var=2.159615489755646, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.9362327342123824"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.9362327342123824""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.9362327342123824 +""", +) + +entry( + index = 933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00653,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(91.9283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0072,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(102.422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(5.71376e-05,'m^3/(mol*s)'), n=2.87662, w0=(301,'kJ/mol'), E0=(76.8829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23504351664945425, var=0.42187513019582135, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.892675429206693"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.892675429206693""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.892675429206693 +""", +) + +entry( + index = 936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00221911,'m^3/(mol*s)'), n=2.41516, w0=(301,'kJ/mol'), E0=(76.4963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0653263361015711, var=0.0038071414184068847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.2878327615760462"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.2878327615760462""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.2878327615760462 +""", +) + +entry( + index = 937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.4002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0025,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.6853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00181292,'m^3/(mol*s)'), n=2.45256, w0=(301,'kJ/mol'), E0=(85.228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33076243826730534, var=0.4147007619502205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 2.122055944344099"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 2.122055944344099""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 2.122055944344099 +""", +) + +entry( + index = 940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00236,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.5412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00276,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.6825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(93.3195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.2895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.10452e-05,'m^3/(mol*s)'), n=2.9918, w0=(301,'kJ/mol'), E0=(76.0623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2164450847587844, var=0.6849536569680175, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.202989253630725"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.202989253630725""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.202989253630725 +""", +) + +entry( + index = 945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00224654,'m^3/(mol*s)'), n=2.40464, w0=(301,'kJ/mol'), E0=(76.0937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08364082334605463, var=0.014536573539276065, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 0.4518591469376508"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.4518591469376508""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.4518591469376508 +""", +) + +entry( + index = 946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00189,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.5313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00245,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.5642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00166962,'m^3/(mol*s)'), n=2.45358, w0=(301,'kJ/mol'), E0=(86.1226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2530083042771866, var=0.6217359649739403, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 2.2164375880950424"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.2164375880950424""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.2164375880950424 +""", +) + +entry( + index = 949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.7774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.0027,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.2517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.6368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00186,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.5637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.88716e-07,'m^3/(mol*s)'), n=3.69709, w0=(289.5,'kJ/mol'), E0=(83.2225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47117683865879695, var=6.788629995553006, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.40719854992688"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.40719854992688""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.40719854992688 +""", +) + +entry( + index = 954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00199136,'m^3/(mol*s)'), n=2.47332, w0=(289.5,'kJ/mol'), E0=(98.6285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4138438999090057, var=1.3098099657140334, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 3.3341665331287214"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 3.3341665331287214""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 3.3341665331287214 +""", +) + +entry( + index = 955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00210751,'m^3/(mol*s)'), n=2.43272, w0=(289.5,'kJ/mol'), E0=(99.1287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34902406826195886, var=2.311026271673629, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.924555181099268"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.924555181099268""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.924555181099268 +""", +) + +entry( + index = 956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(100.238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00421,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(98.4253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(5.02328e-05,'m^3/(mol*s)'), n=3.25309, w0=(289.5,'kJ/mol'), E0=(82.7563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3694115239171296, var=4.187685314123018, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 5.0306263860289375"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 5.0306263860289375""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 5.0306263860289375 +""", +) + +entry( + index = 959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0749849,'m^3/(mol*s)'), n=2.31012, w0=(289.5,'kJ/mol'), E0=(95.3684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23893474957170854, var=0.42861677997810604, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.912815181569499"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.912815181569499""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.912815181569499 +""", +) + +entry( + index = 960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0202,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(92.5626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0559,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(96.4218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Ext-10R!H-R_N-Sp-2R!H=1R!H_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.25846e-27,'m^3/(mol*s)'), n=9.23837, w0=(301,'kJ/mol'), E0=(20.5373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6866953717691402, var=0.6641603287035807, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.3591448026902433"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.3591448026902433""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.3591448026902433 +""", +) + +entry( + index = 963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000739624,'m^3/(mol*s)'), n=2.51721, w0=(301,'kJ/mol'), E0=(76.0464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16478356462707414, var=0.5603953294419143, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.9147648575152851"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.9147648575152851""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.9147648575152851 +""", +) + +entry( + index = 964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00152799,'m^3/(mol*s)'), n=2.4428, w0=(301,'kJ/mol'), E0=(74.9495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13623594917249401, var=0.7374398172994241, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.0638539180175113"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0638539180175113""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.0638539180175113 +""", +) + +entry( + index = 965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00142466,'m^3/(mol*s)'), n=2.46504, w0=(301,'kJ/mol'), E0=(74.2623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030766145333269636, var=2.4799715519066714, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.234343722260681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.234343722260681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.234343722260681 +""", +) + +entry( + index = 966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00211,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.2061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00233,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.2802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000315711,'m^3/(mol*s)'), n=2.6286, w0=(301,'kJ/mol'), E0=(75.3893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0919680617445904, var=1.2660582183097093, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.4867884557052666"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4867884557052666""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4867884557052666 +""", +) + +entry( + index = 969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00179377,'m^3/(mol*s)'), n=2.40648, w0=(301,'kJ/mol'), E0=(72.302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008759724775197665, var=0.477539120900339, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.407365605070714"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.407365605070714""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.407365605070714 +""", +) + +entry( + index = 970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00168,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.5548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.9874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000350001,'m^3/(mol*s)'), n=2.62172, w0=(301,'kJ/mol'), E0=(80.4765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16236720626817328, var=4.3530934069275595, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 4.5906507368821075"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.5906507368821075""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.5906507368821075 +""", +) + +entry( + index = 973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.6067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(89.0643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00128,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.1907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00137,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.7505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00843531,'m^3/(mol*s)'), n=2.37575, w0=(301,'kJ/mol'), E0=(121.413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3842217325284854, var=0.6095215209328377, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.5305151857980905"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.5305151857980905""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.5305151857980905 +""", +) + +entry( + index = 978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00725,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(119.698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00817406,'m^3/(mol*s)'), n=2.559, w0=(289.5,'kJ/mol'), E0=(87.3804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3841018084283058, var=3.3247927266844925, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.6205167010462205"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.6205167010462205""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.6205167010462205 +""", +) + +entry( + index = 980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00397809,'m^3/(mol*s)'), n=2.61495, w0=(289.5,'kJ/mol'), E0=(86.6843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3420917295011801, var=10.524577500439394, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.363209356148402"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.363209356148402""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.363209356148402 +""", +) + +entry( + index = 981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0124,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(94.4761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0344,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.4589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Ext-2R!H-R_N-10R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.47053e-30,'m^3/(mol*s)'), n=10.1901, w0=(301,'kJ/mol'), E0=(11.3334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14487198462407608, var=6.902894820927794, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.6311127395509315"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.6311127395509315""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.6311127395509315 +""", +) + +entry( + index = 984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0015515,'m^3/(mol*s)'), n=2.41205, w0=(301,'kJ/mol'), E0=(75.0293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2868594280159489, var=0.3470175264809129, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.901705550826474"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.901705550826474""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.901705550826474 +""", +) + +entry( + index = 985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00171303,'m^3/(mol*s)'), n=2.4132, w0=(301,'kJ/mol'), E0=(73.7201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2119578706494575, var=0.16683923698767136, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.3514107325112148"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3514107325112148""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3514107325112148 +""", +) + +entry( + index = 986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.6813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.8152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00494,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(124.918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00610661,'m^3/(mol*s)'), n=2.47388, w0=(289.5,'kJ/mol'), E0=(88.5454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37204688541515624, var=1.8936531162994406, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.693508497957624"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.693508497957624""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.693508497957624 +""", +) + +entry( + index = 990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00696654,'m^3/(mol*s)'), n=2.42393, w0=(289.5,'kJ/mol'), E0=(90.3387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36013299637560825, var=2.407456298299406, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.015399675699646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.015399675699646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.015399675699646 +""", +) + +entry( + index = 991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00467,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(91.5782,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.013,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(89.3405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-3R-R_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.29404e-09,'m^3/(mol*s)'), n=4.37324, w0=(298.476,'kJ/mol'), E0=(63.3621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3746735576140715, var=2.299869635601406, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.9816359618438755"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.9816359618438755""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.9816359618438755 +""", +) + +entry( + index = 994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.00156624,'m^3/(mol*s)'), n=2.46695, w0=(301,'kJ/mol'), E0=(80.6643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20487245610036015, var=0.4368214357923089, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.8397338091278153"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.8397338091278153""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.8397338091278153 +""", +) + +entry( + index = 995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0020259,'m^3/(mol*s)'), n=2.48173, w0=(301,'kJ/mol'), E0=(81.5,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20152076789338977, var=0.4788737079192661, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.893624323156064"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.893624323156064""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.893624323156064 +""", +) + +entry( + index = 996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00335674,'m^3/(mol*s)'), n=2.43244, w0=(301,'kJ/mol'), E0=(80.2827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12447916553646834, var=0.10680251620008882, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.9679222616615472"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.9679222616615472""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.9679222616615472 +""", +) + +entry( + index = 997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00383,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.1232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.8402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00145075,'m^3/(mol*s)'), n=2.44308, w0=(301,'kJ/mol'), E0=(77.9548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19284797520806582, var=0.25547252051664954, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4978217533171034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4978217533171034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4978217533171034 +""", +) + +entry( + index = 1000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0018,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.3602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.95076e-26,'m^3/(mol*s)'), n=9.22092, w0=(298.043,'kJ/mol'), E0=(16.1884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.633858047916916, var=2.1603366189408875, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 4.539184539536132"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 4.539184539536132""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 4.539184539536132 +""", +) + +entry( + index = 1003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.45192e-06,'m^3/(mol*s)'), n=3.53053, w0=(297.714,'kJ/mol'), E0=(72.2131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3218439261783074, var=1.8379887796398007, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.5265214375797704"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.5265214375797704""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.5265214375797704 +""", +) + +entry( + index = 1004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.30816e-06,'m^3/(mol*s)'), n=3.48899, w0=(301,'kJ/mol'), E0=(70.3834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3100787808309368, var=0.595657323535696, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.326323677876899"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.326323677876899""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.326323677876899 +""", +) + +entry( + index = 1005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.22737e-07,'m^3/(mol*s)'), n=3.80436, w0=(301,'kJ/mol'), E0=(69.8511,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3825644164340475, var=0.8004542224599784, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7548156569270743"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7548156569270743""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7548156569270743 +""", +) + +entry( + index = 1006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.000176177,'m^3/(mol*s)'), n=2.98578, w0=(301,'kJ/mol'), E0=(86.9682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43342743938963685, var=0.7554700388544368, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.831484880398591"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.831484880398591""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.831484880398591 +""", +) + +entry( + index = 1007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.49659e-06,'m^3/(mol*s)'), n=3.36268, w0=(301,'kJ/mol'), E0=(82.9589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38092924845488224, var=2.4201169800168363, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.075819928142194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.075819928142194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.075819928142194 +""", +) + +entry( + index = 1008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0191,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.4215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0211,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(97.3216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000300607,'m^3/(mol*s)'), n=2.80384, w0=(301,'kJ/mol'), E0=(71.4772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20677027323492558, var=0.4919966366778169, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9256940382782524"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9256940382782524""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9256940382782524 +""", +) + +entry( + index = 1011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00658275,'m^3/(mol*s)'), n=2.41366, w0=(301,'kJ/mol'), E0=(70.1297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0340636035072584, var=0.003683411549111679, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 0.20725655241524887"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.20725655241524887""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.20725655241524887 +""", +) + +entry( + index = 1012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00627,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.9837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00733,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00553345,'m^3/(mol*s)'), n=2.44754, w0=(301,'kJ/mol'), E0=(79.4505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3160546905918697, var=0.451999798897665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 2.141909305372147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.141909305372147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.141909305372147 +""", +) + +entry( + index = 1015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00692,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.7713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00809,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00476,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(88.996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00557,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.6321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000141534,'m^3/(mol*s)'), n=2.88827, w0=(301,'kJ/mol'), E0=(70.8795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18349092681710394, var=0.785435483974688, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.2377248943879073"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.2377248943879073""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.2377248943879073 +""", +) + +entry( + index = 1020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00643892,'m^3/(mol*s)'), n=2.40714, w0=(301,'kJ/mol'), E0=(69.598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05294277433080936, var=0.009440898971793395, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 0.32781070360794556"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.32781070360794556""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 0.32781070360794556 +""", +) + +entry( + index = 1021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00553,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.0094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00716,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00514439,'m^3/(mol*s)'), n=2.44729, w0=(301,'kJ/mol'), E0=(80.3329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23397391537716844, var=0.6420785691363279, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 2.194264472778699"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.194264472778699""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.194264472778699 +""", +) + +entry( + index = 1024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0061,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.9589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0079,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.3687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00419,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.5038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00544,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.0019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.59896e-05,'m^3/(mol*s)'), n=3.30785, w0=(289.5,'kJ/mol'), E0=(79.6025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32414218122707056, var=7.0116240250307404, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.122860093854356"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.122860093854356""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.122860093854356 +""", +) + +entry( + index = 1029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00637375,'m^3/(mol*s)'), n=2.46232, w0=(289.5,'kJ/mol'), E0=(91.6492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3075322997120205, var=1.3303139898847174, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.0849403892089917"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.0849403892089917""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.0849403892089917 +""", +) + +entry( + index = 1030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00636787,'m^3/(mol*s)'), n=2.42866, w0=(289.5,'kJ/mol'), E0=(92.1136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2411228839374576, var=2.283214830793288, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.6350533385995973"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.6350533385995973""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.6350533385995973 +""", +) + +entry( + index = 1031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00445,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(93.1847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(91.3711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0010298,'m^3/(mol*s)'), n=3.0109, w0=(289.5,'kJ/mol'), E0=(77.6287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23092541546456063, var=4.588019943779661, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 4.874289734607267"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.874289734607267""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.874289734607267 +""", +) + +entry( + index = 1034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.18087,'m^3/(mol*s)'), n=2.33421, w0=(289.5,'kJ/mol'), E0=(88.0274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12474191314344121, var=0.3714755902890152, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.535283812782104"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.535283812782104""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.535283812782104 +""", +) + +entry( + index = 1035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.059,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(85.3234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.164,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(89.4231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.70012e-26,'m^3/(mol*s)'), n=9.1666, w0=(301,'kJ/mol'), E0=(14.5709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6576656544705652, var=0.8862720537193263, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.5397244297056942"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.5397244297056942""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.5397244297056942 +""", +) + +entry( + index = 1038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0070024,'m^3/(mol*s)'), n=2.37131, w0=(301,'kJ/mol'), E0=(70.5084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12023970746620138, var=0.6010014966426596, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 1.8562663787230476"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.8562663787230476""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 1.8562663787230476 +""", +) + +entry( + index = 1039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00790956,'m^3/(mol*s)'), n=2.37216, w0=(301,'kJ/mol'), E0=(68.9877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0981355270828886, var=0.9185250066338115, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.1679039661211172"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1679039661211172""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1679039661211172 +""", +) + +entry( + index = 1040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00919924,'m^3/(mol*s)'), n=2.36682, w0=(301,'kJ/mol'), E0=(67.9525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009621494118740246, var=2.6952788278225372, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.315409203048771"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.315409203048771""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.315409203048771 +""", +) + +entry( + index = 1041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00619,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00683,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00754893,'m^3/(mol*s)'), n=2.36739, w0=(301,'kJ/mol'), E0=(70.4429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033978950600655235, var=1.4135077361792123, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.468824459308938"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.468824459308938""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.468824459308938 +""", +) + +entry( + index = 1044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00595831,'m^3/(mol*s)'), n=2.39069, w0=(301,'kJ/mol'), E0=(64.8046,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05161469008955932, var=0.488873834850867, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 1.531386161251345"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 1.531386161251345""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 1.531386161251345 +""", +) + +entry( + index = 1045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00492,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.8572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00529,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00343438,'m^3/(mol*s)'), n=2.47153, w0=(301,'kJ/mol'), E0=(74.9581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1287928702339692, var=4.77542414348869, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 4.704496392445847"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.704496392445847""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.704496392445847 +""", +) + +entry( + index = 1048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00543,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.4807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00584,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.5117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00374,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.6113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00402,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0239215,'m^3/(mol*s)'), n=2.37975, w0=(301,'kJ/mol'), E0=(114.874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28615769668891045, var=0.5786764500180209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.244006920560894"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.244006920560894""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.244006920560894 +""", +) + +entry( + index = 1053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0212,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(113.274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.115852,'m^3/(mol*s)'), n=2.36283, w0=(289.5,'kJ/mol'), E0=(80.6186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24048457965927333, var=3.4773524983828983, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.342594565248525"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.342594565248525""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.342594565248525 +""", +) + +entry( + index = 1055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.121078,'m^3/(mol*s)'), n=2.32377, w0=(289.5,'kJ/mol'), E0=(80.7563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20643831143400765, var=11.20369183870309, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.22892170534147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.22892170534147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.22892170534147 +""", +) + +entry( + index = 1056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0363,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(86.3666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.101,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(73.644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(5.77511e-29,'m^3/(mol*s)'), n=9.8672, w0=(301,'kJ/mol'), E0=(7.41261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003528735616391495, var=8.588989256378165, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.8841387350013274"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.8841387350013274""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.8841387350013274 +""", +) + +entry( + index = 1059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00762243,'m^3/(mol*s)'), n=2.3477, w0=(301,'kJ/mol'), E0=(68.7984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2579240797611792, var=0.6129296633765033, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.217554027174608"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.217554027174608""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.217554027174608 +""", +) + +entry( + index = 1060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00693801,'m^3/(mol*s)'), n=2.37289, w0=(301,'kJ/mol'), E0=(66.6433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18382475455118366, var=0.22877479512009194, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4207442139866597"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4207442139866597""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4207442139866597 +""", +) + +entry( + index = 1061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0049,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.0156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00541,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.6168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0145,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(118.224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0322806,'m^3/(mol*s)'), n=2.40032, w0=(289.5,'kJ/mol'), E0=(80.8766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23950925834041897, var=1.9628543590696539, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.410454075889095"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.410454075889095""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.410454075889095 +""", +) + +entry( + index = 1065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.022384,'m^3/(mol*s)'), n=2.41222, w0=(289.5,'kJ/mol'), E0=(82.2504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23425843263820176, var=2.3608753540915854, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.6688925928621114"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.6688925928621114""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.6688925928621114 +""", +) + +entry( + index = 1066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0137,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(83.4139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0379,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(81.1251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.88516e-06,'m^3/(mol*s)'), n=3.32139, w0=(297.933,'kJ/mol'), E0=(73.4552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30492200148879733, var=1.3311675789016055, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 3.0791235523346057"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.0791235523346057""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 3.0791235523346057 +""", +) + +entry( + index = 1069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.15206e-06,'m^3/(mol*s)'), n=3.30887, w0=(298.346,'kJ/mol'), E0=(74.0825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3028636419556527, var=1.531672408750987, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.2420391604040173"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.2420391604040173""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.2420391604040173 +""", +) + +entry( + index = 1070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00170062,'m^3/(mol*s)'), n=2.5193, w0=(298.444,'kJ/mol'), E0=(84.2169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24378423251494055, var=1.6267394374585629, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.1694364088310785"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.1694364088310785""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.1694364088310785 +""", +) + +entry( + index = 1071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.00199112,'m^3/(mol*s)'), n=2.36793, w0=(301,'kJ/mol'), E0=(87.8308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24887516790733705, var=0.13844026745645457, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.3712275403206962"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.3712275403206962""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.3712275403206962 +""", +) + +entry( + index = 1072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00207,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(89.5367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(9.05617e-05,'m^3/(mol*s)'), n=2.92186, w0=(297.714,'kJ/mol'), E0=(79.9194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2735222444136716, var=1.3211864324487745, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 2.991541937762636"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.991541937762636""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.991541937762636 +""", +) + +entry( + index = 1074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000377994,'m^3/(mol*s)'), n=2.71458, w0=(301,'kJ/mol'), E0=(80.4148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23551334625466824, var=0.0634910465562545, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.096883788640267"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.096883788640267""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.096883788640267 +""", +) + +entry( + index = 1075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000431432,'m^3/(mol*s)'), n=2.71905, w0=(301,'kJ/mol'), E0=(82.7321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23131823711967364, var=0.0706392862884901, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1140211377057012"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1140211377057012""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1140211377057012 +""", +) + +entry( + index = 1076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(93.3456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.0879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00396,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.7301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00298,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.0771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00387,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.3271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.3314e-06,'m^3/(mol*s)'), n=3.32665, w0=(289.5,'kJ/mol'), E0=(79.7147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28604693015206456, var=23.40070918377862, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 10.4164723780673"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.4164723780673""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.4164723780673 +""", +) + +entry( + index = 1082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00275,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(91.9285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0365,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(83.9605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00289251,'m^3/(mol*s)'), n=2.41202, w0=(301,'kJ/mol'), E0=(72.8291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20931434383902925, var=0.3969139663127663, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.7889207565801026"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.7889207565801026""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.7889207565801026 +""", +) + +entry( + index = 1085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00334,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.5898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00286,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.8072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0225,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.9493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00265,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.4652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00847,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(81.7069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Ext-3R-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.0585684,'m^3/(mol*s)'), n=2.26422, w0=(289.5,'kJ/mol'), E0=(77.6898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12448305325521729, var=1.9553674947127557, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 3.116081870436425"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 3.116081870436425""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 3.116081870436425 +""", +) + +entry( + index = 1092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.770834,'m^3/(mol*s)'), n=1.906, w0=(289.5,'kJ/mol'), E0=(73.2644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(2.19206,'m^3/(mol*s)'), n=1.851, w0=(289.5,'kJ/mol'), E0=(89.0066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_Sp-5R!H#4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(2.24975e-05,'m^3/(mol*s)'), n=3.1995, w0=(297.933,'kJ/mol'), E0=(67.9929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24602024578918555, var=1.4651463569501173, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 3.044737415066984"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 3.044737415066984""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 3.044737415066984 +""", +) + +entry( + index = 1095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.76221e-05,'m^3/(mol*s)'), n=3.17246, w0=(298.346,'kJ/mol'), E0=(68.9176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2468804763224604, var=1.667184458594596, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.208806558684194"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.208806558684194""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.208806558684194 +""", +) + +entry( + index = 1096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00330271,'m^3/(mol*s)'), n=2.57039, w0=(298.444,'kJ/mol'), E0=(77.7052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20839969939938152, var=1.6497459167972437, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.0985478885018383"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.0985478885018383""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.0985478885018383 +""", +) + +entry( + index = 1097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.00527207,'m^3/(mol*s)'), n=2.38029, w0=(301,'kJ/mol'), E0=(81.7024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2281805909884652, var=0.10802134064703534, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.2322063300844803"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.2322063300844803""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.2322063300844803 +""", +) + +entry( + index = 1098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00605,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.6218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000227712,'m^3/(mol*s)'), n=2.94085, w0=(297.714,'kJ/mol'), E0=(73.7348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23042465115066862, var=1.3661444212073204, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 2.9221344896632653"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.9221344896632653""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 2.9221344896632653 +""", +) + +entry( + index = 1100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000763941,'m^3/(mol*s)'), n=2.76071, w0=(301,'kJ/mol'), E0=(74.341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2191451208709262, var=0.08275890750420188, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.1273350202299866"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1273350202299866""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1273350202299866 +""", +) + +entry( + index = 1101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000844821,'m^3/(mol*s)'), n=2.76916, w0=(301,'kJ/mol'), E0=(76.7664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21325378189345168, var=0.09204345329139986, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1440233614369524"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1440233614369524""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1440233614369524 +""", +) + +entry( + index = 1102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.0302,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(88.1902,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00992,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.2213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.0493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00874,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.1039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0113,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.4489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(8.08765e-05,'m^3/(mol*s)'), n=3.14349, w0=(289.5,'kJ/mol'), E0=(74.4256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1756589690424791, var=23.817298204756234, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 10.225056653631853"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.225056653631853""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.225056653631853 +""", +) + +entry( + index = 1108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00806,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(84.9899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.107,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(76.8095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00869146,'m^3/(mol*s)'), n=2.40878, w0=(301,'kJ/mol'), E0=(65.7614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18370479274392648, var=0.39681639827119597, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.724419907436022"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.724419907436022""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.724419907436022 +""", +) + +entry( + index = 1111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00979,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.0508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1112, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00778,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.51,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1113, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00837,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.6915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1114, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0659,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.6406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1115, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00775,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1116, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0248,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(73.4422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-6R!H-R_N-Sp-5R!H#4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1117, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.06973e-08,'m^3/(mol*s)'), n=3.60774, w0=(299.574,'kJ/mol'), E0=(49.539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5239778944948545, var=2.087050032983542, Tref=1000.0, N=387, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R',), comment="""BM rule fitted to 387 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R + Total Standard Deviation in ln(k): 4.212693165891726"""), + rank = 11, + shortDesc = """BM rule fitted to 387 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 4.212693165891726""", + longDesc = +""" +BM rule fitted to 387 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R +Total Standard Deviation in ln(k): 4.212693165891726 +""", +) + +entry( + index = 1118, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.75698e-09,'m^3/(mol*s)'), n=3.89951, w0=(299.789,'kJ/mol'), E0=(47.1908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5603574274324816, var=1.9831583235884265, Tref=1000.0, N=342, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R',), comment="""BM rule fitted to 342 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.231094475501085"""), + rank = 11, + shortDesc = """BM rule fitted to 342 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.231094475501085""", + longDesc = +""" +BM rule fitted to 342 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.231094475501085 +""", +) + +entry( + index = 1119, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(2.62293e-07,'m^3/(mol*s)'), n=3.14073, w0=(301,'kJ/mol'), E0=(56.6069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4804716267558686, var=1.144915333389225, Tref=1000.0, N=66, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing',), comment="""BM rule fitted to 66 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 3.3522960395640875"""), + rank = 11, + shortDesc = """BM rule fitted to 66 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.3522960395640875""", + longDesc = +""" +BM rule fitted to 66 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 3.3522960395640875 +""", +) + +entry( + index = 1120, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.81181e-07,'m^3/(mol*s)'), n=3.02691, w0=(301,'kJ/mol'), E0=(63.667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5820192143215738, var=0.773565583450991, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.225576001395664"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.225576001395664""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.225576001395664 +""", +) + +entry( + index = 1121, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.88786e-07,'m^3/(mol*s)'), n=3.01043, w0=(301,'kJ/mol'), E0=(64.2203,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5738972181315062, var=0.842813838173474, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.282397702437617"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.282397702437617""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.282397702437617 +""", +) + +entry( + index = 1122, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000155052,'m^3/(mol*s)'), n=2.35615, w0=(301,'kJ/mol'), E0=(72.9659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5357966644052634, var=0.6863555787808484, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.0070772209528265"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.0070772209528265""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.0070772209528265 +""", +) + +entry( + index = 1123, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(7.87343e-05,'m^3/(mol*s)'), n=2.34054, w0=(301,'kJ/mol'), E0=(75.6403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5526034490804411, var=0.12262284721353812, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 2.0904598890395385"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.0904598890395385""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.0904598890395385 +""", +) + +entry( + index = 1124, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.58128e-05,'m^3/(mol*s)'), n=2.40958, w0=(301,'kJ/mol'), E0=(76.298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5544609957714172, var=0.015190347073197713, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6401999260873061"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6401999260873061""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6401999260873061 +""", +) + +entry( + index = 1125, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.19e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.8263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1126, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.92e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.9187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1127, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(9.31795e-07,'m^3/(mol*s)'), n=3.03252, w0=(301,'kJ/mol'), E0=(65.7325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5753145044907296, var=0.1121737902900124, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 2.116946837102656"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.116946837102656""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.116946837102656 +""", +) + +entry( + index = 1128, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.8127e-08,'m^3/(mol*s)'), n=3.48902, w0=(301,'kJ/mol'), E0=(62.807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6297581156776195, var=0.17729685583860336, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.4264332687299413"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4264332687299413""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4264332687299413 +""", +) + +entry( + index = 1129, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.000563133,'m^3/(mol*s)'), n=2.34254, w0=(301,'kJ/mol'), E0=(84.4841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5955240073146729, var=0.01162515939308135, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 1.71244207672204"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.71244207672204""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 1.71244207672204 +""", +) + +entry( + index = 1130, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000309,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.0222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1131, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000107709,'m^3/(mol*s)'), n=2.4122, w0=(301,'kJ/mol'), E0=(67.0281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6459612874977094, var=0.0003784382753113813, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.6620174041863054"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.6620174041863054""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.6620174041863054 +""", +) + +entry( + index = 1132, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.1617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1133, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000119,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.9355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1134, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000114,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1135, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000133,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.7291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1136, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(9.96429e-05,'m^3/(mol*s)'), n=2.41271, w0=(301,'kJ/mol'), E0=(68.6526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5482046615156075, var=0.21621641032033195, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.3095819416649315"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.3095819416649315""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.3095819416649315 +""", +) + +entry( + index = 1137, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.94e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.1083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1138, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.2448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1139, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0001,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.6576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1140, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.4706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1141, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.9859e-05,'m^3/(mol*s)'), n=2.43872, w0=(301,'kJ/mol'), E0=(61.6501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6305414968827183, var=1.7766100072583306, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.2563771753275965"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.2563771753275965""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.2563771753275965 +""", +) + +entry( + index = 1142, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0001,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.24,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1143, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(7.96e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.8529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1144, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(8.56e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.6092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1145, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000112,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.1682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1146, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(8.94e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.7759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1147, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(9.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.4966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1148, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(7.93e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.3851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1149, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.08331e-08,'m^3/(mol*s)'), n=3.34245, w0=(301,'kJ/mol'), E0=(51.6854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44213811290181493, var=1.1340718730298727, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.245798512120304"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.245798512120304""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.245798512120304 +""", +) + +entry( + index = 1150, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(5.4463e-08,'m^3/(mol*s)'), n=3.33565, w0=(301,'kJ/mol'), E0=(52.0772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43576802542314885, var=1.1877006590852417, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.2796885045332873"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.2796885045332873""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.2796885045332873 +""", +) + +entry( + index = 1151, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(4.67269e-05,'m^3/(mol*s)'), n=2.49799, w0=(301,'kJ/mol'), E0=(62.3978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3871160367455216, var=1.0702679787066118, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.046627109239851"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.046627109239851""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.046627109239851 +""", +) + +entry( + index = 1152, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(6.85025e-06,'m^3/(mol*s)'), n=2.63684, w0=(301,'kJ/mol'), E0=(64.0533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4141756048731817, var=0.7011320907357771, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 2.7192796891772972"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.7192796891772972""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.7192796891772972 +""", +) + +entry( + index = 1153, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.74206e-06,'m^3/(mol*s)'), n=2.75887, w0=(301,'kJ/mol'), E0=(64.1468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4199781764016139, var=0.9078286997055278, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.9653340349187003"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.9653340349187003""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.9653340349187003 +""", +) + +entry( + index = 1154, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.24254e-06,'m^3/(mol*s)'), n=2.73603, w0=(301,'kJ/mol'), E0=(64.0482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48461593567401756, var=2.8974043960018507, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.630040656764399"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.630040656764399""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.630040656764399 +""", +) + +entry( + index = 1155, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.01e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1156, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(6.78e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.7841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1157, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(5.63e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1158, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(7.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.6229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1159, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.38611e-06,'m^3/(mol*s)'), n=2.71409, w0=(301,'kJ/mol'), E0=(62.447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48877731307214983, var=3.008454513202419, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.705276040570012"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.705276040570012""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.705276040570012 +""", +) + +entry( + index = 1160, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.36e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.4192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1161, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.2e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1162, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.65e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.8067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1163, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.59e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.5541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1164, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(5.13057e-08,'m^3/(mol*s)'), n=3.38592, w0=(301,'kJ/mol'), E0=(52.7428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4418181015043014, var=0.46963696554131584, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 2.483941961588216"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.483941961588216""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.483941961588216 +""", +) + +entry( + index = 1165, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.52997e-09,'m^3/(mol*s)'), n=3.84398, w0=(301,'kJ/mol'), E0=(49.2417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4906195964515285, var=0.48741708861356864, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.6323236117867346"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.6323236117867346""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.6323236117867346 +""", +) + +entry( + index = 1166, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(1.3284e-05,'m^3/(mol*s)'), n=2.80145, w0=(301,'kJ/mol'), E0=(69.6307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46377769390390305, var=0.6507013582343453, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.7824114311166532"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.7824114311166532""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.7824114311166532 +""", +) + +entry( + index = 1167, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.3631e-06,'m^3/(mol*s)'), n=2.93293, w0=(301,'kJ/mol'), E0=(68.8339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5270331558958514, var=2.1194441123734538, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.242759527580767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.242759527580767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.242759527580767 +""", +) + +entry( + index = 1168, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000251,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.8477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1169, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000339,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.2448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1170, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000281,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1171, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00038,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.5132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1172, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.24248e-06,'m^3/(mol*s)'), n=2.84073, w0=(301,'kJ/mol'), E0=(54.1988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5075256889035841, var=0.9221174028120572, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.2002760088937037"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.2002760088937037""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.2002760088937037 +""", +) + +entry( + index = 1173, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.66423e-05,'m^3/(mol*s)'), n=2.41317, w0=(301,'kJ/mol'), E0=(61.2305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3266534241447359, var=0.00023492232143473946, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.8514641737828171"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8514641737828171""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8514641737828171 +""", +) + +entry( + index = 1174, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.22e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.3934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1175, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.1279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1176, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000117119,'m^3/(mol*s)'), n=2.41315, w0=(301,'kJ/mol'), E0=(54.939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6231411177891254, var=0.00015571288285569801, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.5906972807609001"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.5906972807609001""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.5906972807609001 +""", +) + +entry( + index = 1177, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000111,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.0882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1178, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.8486,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1179, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(9.40106e-05,'m^3/(mol*s)'), n=2.41749, w0=(301,'kJ/mol'), E0=(62.234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17424426512800373, var=0.06768114544685287, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.9593435242002442"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.9593435242002442""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.9593435242002442 +""", +) + +entry( + index = 1180, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.23e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.1958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1181, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1182, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000127363,'m^3/(mol*s)'), n=2.41733, w0=(301,'kJ/mol'), E0=(56.3277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.429935678834685, var=0.07358943559062417, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.6240723575029068"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.6240723575029068""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.6240723575029068 +""", +) + +entry( + index = 1183, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000125,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.3051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1184, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000146,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.4848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1185, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.36799e-06,'m^3/(mol*s)'), n=2.8267, w0=(301,'kJ/mol'), E0=(55.9622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41681190794392575, var=0.96256605946232, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.014120726066452"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.014120726066452""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.014120726066452 +""", +) + +entry( + index = 1186, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.98511e-05,'m^3/(mol*s)'), n=2.41399, w0=(301,'kJ/mol'), E0=(62.8462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23982141189818784, var=0.21741628798197782, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.5373326202568312"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.5373326202568312""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.5373326202568312 +""", +) + +entry( + index = 1187, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(7.24e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.3172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1188, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.39e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.4474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1189, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000108344,'m^3/(mol*s)'), n=2.41358, w0=(301,'kJ/mol'), E0=(56.5833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5268582088149772, var=0.20966233196617823, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.24171047407598"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.24171047407598""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.24171047407598 +""", +) + +entry( + index = 1190, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.79e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.0261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1191, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000127,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.2044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-1R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1192, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.13391e-05,'m^3/(mol*s)'), n=2.42586, w0=(301,'kJ/mol'), E0=(63.6069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15565276146301574, var=0.2565975465243437, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 1.4065950834257888"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 1.4065950834257888""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 1.4065950834257888 +""", +) + +entry( + index = 1193, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(8.13e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.3239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1194, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.1874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1195, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000110272,'m^3/(mol*s)'), n=2.42558, w0=(301,'kJ/mol'), E0=(57.6688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40991549231929664, var=0.26639145770985073, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.0646448258448826"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.0646448258448826""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.0646448258448826 +""", +) + +entry( + index = 1196, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.4042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1197, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000142,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.2204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1198, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.54037e-05,'m^3/(mol*s)'), n=2.5573, w0=(301,'kJ/mol'), E0=(52.3346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45821704692751425, var=1.8535991023649812, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.8806847048721744"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.8806847048721744""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.8806847048721744 +""", +) + +entry( + index = 1199, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000112341,'m^3/(mol*s)'), n=2.38849, w0=(301,'kJ/mol'), E0=(48.23,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3924663575716873, var=3.9907719169073874, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.9909388945740565"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.9909388945740565""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.9909388945740565 +""", +) + +entry( + index = 1200, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.12e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.8867,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1201, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.1974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1202, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.74316e-05,'m^3/(mol*s)'), n=2.52094, w0=(301,'kJ/mol'), E0=(59.1084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29558123247840373, var=2.404363939594864, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 3.8512109382567394"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.8512109382567394""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.8512109382567394 +""", +) + +entry( + index = 1203, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(6.45e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1204, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(6.94e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1205, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(8.03877e-05,'m^3/(mol*s)'), n=2.42459, w0=(301,'kJ/mol'), E0=(52.6047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6507959989037481, var=2.688145877039763, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 4.9220424736147494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 4.9220424736147494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 4.9220424736147494 +""", +) + +entry( + index = 1206, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(8.72e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.8165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1207, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(9.37e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.6478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1208, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.2161e-05,'m^3/(mol*s)'), n=2.60458, w0=(301,'kJ/mol'), E0=(50.0291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.197782350817931, var=3.380382965631211, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.1828099690853815"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.1828099690853815""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.1828099690853815 +""", +) + +entry( + index = 1209, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(9.11e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.2515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1210, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000123,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.2155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1211, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.04402e-05,'m^3/(mol*s)'), n=2.52237, w0=(301,'kJ/mol'), E0=(60.6385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06532279198272016, var=1.2667645647383816, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 2.4204696962890004"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.4204696962890004""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.4204696962890004 +""", +) + +entry( + index = 1212, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(7.24e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.86,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(7.79e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(5.42728e-05,'m^3/(mol*s)'), n=2.48776, w0=(301,'kJ/mol'), E0=(54.0445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37447229025017287, var=1.3932245567016697, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.3071728702892"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.3071728702892""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.3071728702892 +""", +) + +entry( + index = 1215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(9.79e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.20871e-05,'m^3/(mol*s)'), n=2.51506, w0=(301,'kJ/mol'), E0=(56.1428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4986904465112717, var=3.6268061788705754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 5.0708437225060825"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.0708437225060825""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.0708437225060825 +""", +) + +entry( + index = 1218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(6.42e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(8.68e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.4519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.21e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.8225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.75e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.8561,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(2.13223e-11,'m^3/(mol*s)'), n=4.48095, w0=(299.5,'kJ/mol'), E0=(40.9045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6004730311185978, var=1.5705211473983438, Tref=1000.0, N=276, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 276 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 4.02106893205944"""), + rank = 11, + shortDesc = """BM rule fitted to 276 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.02106893205944""", + longDesc = +""" +BM rule fitted to 276 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 4.02106893205944 +""", +) + +entry( + index = 1223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.00196e-07,'m^3/(mol*s)'), n=3.22539, w0=(301,'kJ/mol'), E0=(49.9731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6344808260200242, var=1.3100047285217136, Tref=1000.0, N=132, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.888701243045914"""), + rank = 11, + shortDesc = """BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.888701243045914""", + longDesc = +""" +BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.888701243045914 +""", +) + +entry( + index = 1224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(9.0314e-07,'m^3/(mol*s)'), n=3.09334, w0=(301,'kJ/mol'), E0=(57.2406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7437550295526125, var=0.9226872693580556, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.7944118233515267"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.7944118233515267""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.7944118233515267 +""", +) + +entry( + index = 1225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.02247e-06,'m^3/(mol*s)'), n=3.07967, w0=(301,'kJ/mol'), E0=(57.7479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7340384221107014, var=0.9914550480851396, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.840469162606546"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.840469162606546""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.840469162606546 +""", +) + +entry( + index = 1226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(8.14789e-05,'m^3/(mol*s)'), n=2.53776, w0=(301,'kJ/mol'), E0=(64.9685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6769742427208316, var=0.8316410519828777, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.529145546576547"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.529145546576547""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.529145546576547 +""", +) + +entry( + index = 1227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(0.00011858,'m^3/(mol*s)'), n=2.39108, w0=(301,'kJ/mol'), E0=(69.0094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7091895695947602, var=0.24700010989005639, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 2.7782187440992914"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 2.7782187440992914""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 2.7782187440992914 +""", +) + +entry( + index = 1228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000137462,'m^3/(mol*s)'), n=2.41947, w0=(301,'kJ/mol'), E0=(69.6855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7069996403366574, var=0.14592865502114835, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.5422020201080175"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5422020201080175""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5422020201080175 +""", +) + +entry( + index = 1229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00020139,'m^3/(mol*s)'), n=2.38215, w0=(301,'kJ/mol'), E0=(69.6035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6951006810120985, var=0.06018523638088902, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.2382993546539076"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.2382993546539076""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.2382993546539076 +""", +) + +entry( + index = 1230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000261,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.4105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000123,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.8264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.8656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.65394e-05,'m^3/(mol*s)'), n=2.38015, w0=(301,'kJ/mol'), E0=(67.3022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7070548734649063, var=0.11442610844506866, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.4546600816584694"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4546600816584694""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4546600816584694 +""", +) + +entry( + index = 1234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000123,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.1971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(5.81e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(6.13e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(6.13648e-08,'m^3/(mol*s)'), n=3.47257, w0=(301,'kJ/mol'), E0=(55.1954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7172320175122469, var=0.3452259702924808, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 2.9799913020253315"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.9799913020253315""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.9799913020253315 +""", +) + +entry( + index = 1238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9.94022e-09,'m^3/(mol*s)'), n=3.71997, w0=(301,'kJ/mol'), E0=(53.6998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7519971910640123, var=0.22960638928692004, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.8500543160901928"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8500543160901928""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.8500543160901928 +""", +) + +entry( + index = 1239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.000306792,'m^3/(mol*s)'), n=2.51961, w0=(301,'kJ/mol'), E0=(75.8866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7135040139366319, var=0.316137235758814, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 2.919907652394215"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 2.919907652394215""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 2.919907652394215 +""", +) + +entry( + index = 1240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00116589,'m^3/(mol*s)'), n=2.36375, w0=(301,'kJ/mol'), E0=(76.6794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7019020259080521, var=0.2493219070936707, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.7645801484297663"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.7645801484297663""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.7645801484297663 +""", +) + +entry( + index = 1241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.3919,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000615,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.8893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00065,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.4249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00038156,'m^3/(mol*s)'), n=2.3738, w0=(301,'kJ/mol'), E0=(60.8296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6580695918854861, var=0.04532450848864357, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.0802403309030786"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0802403309030786""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0802403309030786 +""", +) + +entry( + index = 1245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000430582,'m^3/(mol*s)'), n=2.41866, w0=(301,'kJ/mol'), E0=(63.2412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5617263967862532, var=0.004586533612672332, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.5471414374859511"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.5471414374859511""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.5471414374859511 +""", +) + +entry( + index = 1246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000427,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000499,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.4141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00021709,'m^3/(mol*s)'), n=2.41071, w0=(301,'kJ/mol'), E0=(59.1811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5383979942685009, var=0.0048517213950612405, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 1.4923971964381233"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.4923971964381233""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.4923971964381233 +""", +) + +entry( + index = 1249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000202,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.4612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000236,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00022474,'m^3/(mol*s)'), n=2.41304, w0=(301,'kJ/mol'), E0=(59.0204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8811337699112006, var=8.594133418901822e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 2.2324887506366484"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 2.2324887506366484""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 2.2324887506366484 +""", +) + +entry( + index = 1252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000213,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.1687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000249,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.9287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00019,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000222,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.0283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(3.76339e-21,'m^3/(mol*s)'), n=7.21055, w0=(301,'kJ/mol'), E0=(14.4071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3031076506240259, var=1.1237458439618637, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 2.8867341035705896"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.8867341035705896""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.8867341035705896 +""", +) + +entry( + index = 1257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000292492,'m^3/(mol*s)'), n=2.38148, w0=(301,'kJ/mol'), E0=(62.1161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6337468799554971, var=0.23773233115335843, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.569793615212793"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.569793615212793""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.569793615212793 +""", +) + +entry( + index = 1258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000376,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.0828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000178,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.4021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000188,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000142165,'m^3/(mol*s)'), n=2.4933, w0=(301,'kJ/mol'), E0=(61.3986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5788885294813609, var=0.29045970165338925, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 2.534931998057091"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.534931998057091""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.534931998057091 +""", +) + +entry( + index = 1262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00042211,'m^3/(mol*s)'), n=2.36811, w0=(301,'kJ/mol'), E0=(61.6779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5640878031070827, var=0.11702322573175857, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.1030989971097878"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1030989971097878""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1030989971097878 +""", +) + +entry( + index = 1263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000488,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.4211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000231,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.2259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000243,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.2844,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000150571,'m^3/(mol*s)'), n=2.46782, w0=(301,'kJ/mol'), E0=(52.2709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6934127403059059, var=0.7241368340852196, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.4481970361646903"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.4481970361646903""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.4481970361646903 +""", +) + +entry( + index = 1267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000261684,'m^3/(mol*s)'), n=2.40934, w0=(301,'kJ/mol'), E0=(50.6931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6554265754233539, var=0.07579854906341991, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.1987348061666996"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1987348061666996""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1987348061666996 +""", +) + +entry( + index = 1268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000422,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.3785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000199,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.1909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00021,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.49,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(2.23366e-05,'m^3/(mol*s)'), n=2.67671, w0=(301,'kJ/mol'), E0=(56.6484,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8256510307679439, var=1.8447213549280848, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 4.797341676385745"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 4.797341676385745""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 4.797341676385745 +""", +) + +entry( + index = 1272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.30172e-06,'m^3/(mol*s)'), n=2.79591, w0=(301,'kJ/mol'), E0=(55.4106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7891865118048197, var=3.3703983474668924, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.663302580688458"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.663302580688458""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.663302580688458 +""", +) + +entry( + index = 1273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000335,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.2335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000158,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.0446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.0691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000138809,'m^3/(mol*s)'), n=2.45845, w0=(301,'kJ/mol'), E0=(63.3328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7084025249846666, var=0.4420258751841928, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 3.112754489603138"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 3.112754489603138""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 3.112754489603138 +""", +) + +entry( + index = 1277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000234276,'m^3/(mol*s)'), n=2.40359, w0=(301,'kJ/mol'), E0=(62.6165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6822654533217467, var=0.23026022242378333, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.6762157074870996"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6762157074870996""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6762157074870996 +""", +) + +entry( + index = 1278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00036,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.8848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00018,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.8192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000166661,'m^3/(mol*s)'), n=2.43671, w0=(301,'kJ/mol'), E0=(58.9687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7274501551190024, var=0.4756313309582591, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.2103504060083674"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2103504060083674""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2103504060083674 +""", +) + +entry( + index = 1282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000334,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000158,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.0529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.6756e-08,'m^3/(mol*s)'), n=3.45427, w0=(301,'kJ/mol'), E0=(44.7482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5907126745787944, var=1.2906537100647026, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.7617209015811377"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.7617209015811377""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.7617209015811377 +""", +) + +entry( + index = 1286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.76479e-08,'m^3/(mol*s)'), n=3.4537, w0=(301,'kJ/mol'), E0=(45.0496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5822087819122836, var=1.34518072378704, Tref=1000.0, N=80, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.7879664962622033"""), + rank = 11, + shortDesc = """BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.7879664962622033""", + longDesc = +""" +BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.7879664962622033 +""", +) + +entry( + index = 1287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.41169e-05,'m^3/(mol*s)'), n=2.74835, w0=(301,'kJ/mol'), E0=(53.6572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.518958879826855, var=1.2113581778123408, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.510362651833915"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.510362651833915""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.510362651833915 +""", +) + +entry( + index = 1288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing", + kinetics = ArrheniusBM(A=(5.27563e-06,'m^3/(mol*s)'), n=2.77075, w0=(301,'kJ/mol'), E0=(56.6616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5651843670855126, var=0.7254903301122271, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing + Total Standard Deviation in ln(k): 3.127608762873715"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 3.127608762873715""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing +Total Standard Deviation in ln(k): 3.127608762873715 +""", +) + +entry( + index = 1289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.46591e-06,'m^3/(mol*s)'), n=2.83828, w0=(301,'kJ/mol'), E0=(56.9108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5663873186512708, var=0.7022606544423365, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.103071631031122"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.103071631031122""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.103071631031122 +""", +) + +entry( + index = 1290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000113226,'m^3/(mol*s)'), n=2.4172, w0=(301,'kJ/mol'), E0=(63.8764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38588186915252953, var=0.14265220687923064, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.7267273837151849"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.7267273837151849""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.7267273837151849 +""", +) + +entry( + index = 1291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000191244,'m^3/(mol*s)'), n=2.36219, w0=(301,'kJ/mol'), E0=(63.985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37329586922562485, var=0.06552374113143589, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4510934976526433"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4510934976526433""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4510934976526433 +""", +) + +entry( + index = 1292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000211,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.4894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(9.97e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.1011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.1059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000148242,'m^3/(mol*s)'), n=2.42127, w0=(301,'kJ/mol'), E0=(57.5925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6826953457437297, var=0.1441485672091434, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.4764507477467714"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4764507477467714""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4764507477467714 +""", +) + +entry( + index = 1296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00024001,'m^3/(mol*s)'), n=2.37149, w0=(301,'kJ/mol'), E0=(57.6292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6710497406175537, var=0.057848475338581014, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.168227691525998"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.168227691525998""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.168227691525998 +""", +) + +entry( + index = 1297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000285,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.3096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000135,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.7651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000142,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.8234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.75152e-05,'m^3/(mol*s)'), n=2.49978, w0=(301,'kJ/mol'), E0=(61.4431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3940929240330778, var=0.2881528904899148, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 2.066322495813542"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 2.066322495813542""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 2.066322495813542 +""", +) + +entry( + index = 1301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.02313e-05,'m^3/(mol*s)'), n=2.36227, w0=(301,'kJ/mol'), E0=(61.8502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37703558894172906, var=0.12343108226165064, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.6516443629906845"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6516443629906845""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6516443629906845 +""", +) + +entry( + index = 1302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(9.95e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.5094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(4.7e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.3712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(4.97e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.4024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(3.78074e-05,'m^3/(mol*s)'), n=2.49755, w0=(301,'kJ/mol'), E0=(55.1187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6997221760405931, var=0.30213485122837913, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.8600345326373957"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.8600345326373957""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.8600345326373957 +""", +) + +entry( + index = 1306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000114252,'m^3/(mol*s)'), n=2.37018, w0=(301,'kJ/mol'), E0=(55.3799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6861893781058831, var=0.11219007073207267, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.395575644306075"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.395575644306075""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.395575644306075 +""", +) + +entry( + index = 1307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000134,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.1764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(6.35e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.9183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(6.71e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.0062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_10R!H-inRing_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing", + kinetics = ArrheniusBM(A=(9.61905e-10,'m^3/(mol*s)'), n=3.98217, w0=(301,'kJ/mol'), E0=(40.1524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5624913339004052, var=0.6118660334450728, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing + Total Standard Deviation in ln(k): 2.9814359964741146"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.9814359964741146""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing +Total Standard Deviation in ln(k): 2.9814359964741146 +""", +) + +entry( + index = 1311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.12843e-09,'m^3/(mol*s)'), n=3.98324, w0=(301,'kJ/mol'), E0=(40.6063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5745978575763094, var=0.4851319240918016, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.840039505065566"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.840039505065566""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.840039505065566 +""", +) + +entry( + index = 1312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(5.27846e-07,'m^3/(mol*s)'), n=3.30404, w0=(301,'kJ/mol'), E0=(57.2384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5736705937101136, var=0.5790601873690765, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 2.966906692409239"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 2.966906692409239""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 2.966906692409239 +""", +) + +entry( + index = 1313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000199173,'m^3/(mol*s)'), n=2.54701, w0=(301,'kJ/mol'), E0=(67.9103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4271941457670532, var=0.29542735923925706, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 2.162990389038193"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.162990389038193""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.162990389038193 +""", +) + +entry( + index = 1314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00109279,'m^3/(mol*s)'), n=2.34542, w0=(301,'kJ/mol'), E0=(69.3201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4137693713329204, var=0.2548924487235762, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.05174961669915"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.05174961669915""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.05174961669915 +""", +) + +entry( + index = 1315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.8058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000498,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.3737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000526,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000255273,'m^3/(mol*s)'), n=2.55365, w0=(301,'kJ/mol'), E0=(62.4588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6534249335781118, var=0.30007581317662485, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.7399485478345706"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.7399485478345706""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.7399485478345706 +""", +) + +entry( + index = 1319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00147428,'m^3/(mol*s)'), n=2.34567, w0=(301,'kJ/mol'), E0=(63.8856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6442666597491284, var=0.24788815894113814, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.6168853296523777"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6168853296523777""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6168853296523777 +""", +) + +entry( + index = 1320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00142,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.4061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000673,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.9042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000711,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.4216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-14R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000164627,'m^3/(mol*s)'), n=2.44211, w0=(301,'kJ/mol'), E0=(54.6712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3592727737579805, var=0.10602498834530737, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.5554667930745543"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.5554667930745543""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.5554667930745543 +""", +) + +entry( + index = 1324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000396366,'m^3/(mol*s)'), n=2.34301, w0=(301,'kJ/mol'), E0=(55.088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33642603409559274, var=0.04720106189975039, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.2808363840628458"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2808363840628458""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2808363840628458 +""", +) + +entry( + index = 1325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000343225,'m^3/(mol*s)'), n=2.4208, w0=(301,'kJ/mol'), E0=(57.049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25873414515065296, var=0.0050002773564755635, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.7918459002514396"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.7918459002514396""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.7918459002514396 +""", +) + +entry( + index = 1326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000346,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.0913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000405,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.2134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000175753,'m^3/(mol*s)'), n=2.41087, w0=(301,'kJ/mol'), E0=(53.2593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.228788240961952, var=0.0044447319043509044, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 0.7084981537344759"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.7084981537344759""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 0.7084981537344759 +""", +) + +entry( + index = 1329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000164,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.5516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000191,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.9846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000181204,'m^3/(mol*s)'), n=2.41388, w0=(301,'kJ/mol'), E0=(53.0068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5335871591125536, var=0.00022440215253840873, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 1.3707023027796432"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.3707023027796432""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.3707023027796432 +""", +) + +entry( + index = 1332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000173,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.1841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000202,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.9041,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000154,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.0898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.00018,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.8563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000211464,'m^3/(mol*s)'), n=2.44827, w0=(301,'kJ/mol'), E0=(48.5449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6499971468967144, var=0.11088379493883453, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.300719773312023"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.300719773312023""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.300719773312023 +""", +) + +entry( + index = 1337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000488874,'m^3/(mol*s)'), n=2.35421, w0=(301,'kJ/mol'), E0=(48.8714,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6287635661463732, var=0.04496864333188864, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.0049282929209076"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0049282929209076""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0049282929209076 +""", +) + +entry( + index = 1338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000461742,'m^3/(mol*s)'), n=2.42125, w0=(301,'kJ/mol'), E0=(51.0402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.533058871325141, var=0.005198389779900798, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.4838850157725365"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.4838850157725365""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.4838850157725365 +""", +) + +entry( + index = 1339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000467,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000547,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.2244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000237008,'m^3/(mol*s)'), n=2.41093, w0=(301,'kJ/mol'), E0=(47.0587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5138876549770125, var=0.004776555222597567, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 1.4297275203133215"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.4297275203133215""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 1.4297275203133215 +""", +) + +entry( + index = 1342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000221,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.3451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000258,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.7908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000244444,'m^3/(mol*s)'), n=2.41389, w0=(301,'kJ/mol'), E0=(46.9045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8490987442410698, var=0.000202245238821203, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 2.1619238597040575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 2.1619238597040575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 2.1619238597040575 +""", +) + +entry( + index = 1345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000233,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.0693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000273,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.8133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000208,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.1035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000243,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.8517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(8.37048e-11,'m^3/(mol*s)'), n=4.23585, w0=(301,'kJ/mol'), E0=(39.9125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2798447324141105, var=0.5623073558934384, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 2.2064212874428524"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 2.2064212874428524""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 2.2064212874428524 +""", +) + +entry( + index = 1350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(2.23489e-17,'m^3/(mol*s)'), n=6.10301, w0=(301,'kJ/mol'), E0=(16.1635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08906511276679144, var=0.9908734546290003, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 2.219347646389792"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.219347646389792""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.219347646389792 +""", +) + +entry( + index = 1351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000269777,'m^3/(mol*s)'), n=2.36526, w0=(301,'kJ/mol'), E0=(56.2911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3159285460275361, var=0.24610738521823985, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7883235784897302"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7883235784897302""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7883235784897302 +""", +) + +entry( + index = 1352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000305,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.0678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000144,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.4738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000152,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(9.07006e-05,'m^3/(mol*s)'), n=2.52303, w0=(301,'kJ/mol'), E0=(55.0384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27351601108981644, var=0.2756710885950171, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 1.7398000661118562"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.7398000661118562""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 1.7398000661118562 +""", +) + +entry( + index = 1356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000423852,'m^3/(mol*s)'), n=2.34136, w0=(301,'kJ/mol'), E0=(55.9247,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2541549043261251, var=0.1319877642797073, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.3669028274293977"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3669028274293977""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.3669028274293977 +""", +) + +entry( + index = 1357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000395,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.3222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000187,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.3082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000197,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.2748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.41156e-16,'m^3/(mol*s)'), n=5.9274, w0=(301,'kJ/mol'), E0=(14.153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41464544454662267, var=0.5453926755477639, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.522333730196453"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.522333730196453""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.522333730196453 +""", +) + +entry( + index = 1361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(5.6188e-17,'m^3/(mol*s)'), n=6.02599, w0=(301,'kJ/mol'), E0=(12.6666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20581582725713096, var=0.9604552369337087, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 2.481822066809848"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.481822066809848""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.481822066809848 +""", +) + +entry( + index = 1362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000352445,'m^3/(mol*s)'), n=2.36965, w0=(301,'kJ/mol'), E0=(50.1099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6064659441646654, var=0.23592353755965456, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.497522915169601"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.497522915169601""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.497522915169601 +""", +) + +entry( + index = 1363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000412,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.9693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000195,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.2778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000206,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.9993,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H", + kinetics = ArrheniusBM(A=(0.000119646,'m^3/(mol*s)'), n=2.52582, w0=(301,'kJ/mol'), E0=(48.9327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5528927477530714, var=0.29250018716891585, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H + Total Standard Deviation in ln(k): 2.4734043723581585"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.4734043723581585""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H +Total Standard Deviation in ln(k): 2.4734043723581585 +""", +) + +entry( + index = 1367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000543942,'m^3/(mol*s)'), n=2.34765, w0=(301,'kJ/mol'), E0=(49.7243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5373330939193681, var=0.12528502894065058, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.0596716665281516"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0596716665281516""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.0596716665281516 +""", +) + +entry( + index = 1368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000534,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.2304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000252,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.1496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000266,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.1307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-10R!H-R_N-10R!H-inRing_N-4R!H-inRing_N-Sp-11R!H=10R!H_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.17117e-05,'m^3/(mol*s)'), n=2.65425, w0=(301,'kJ/mol'), E0=(42.3157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5241674209432244, var=1.293795100440902, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.5972917734018695"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5972917734018695""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5972917734018695 +""", +) + +entry( + index = 1372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.02044e-05,'m^3/(mol*s)'), n=2.64156, w0=(301,'kJ/mol'), E0=(46.1343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3341058329398549, var=0.640050919507575, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 2.4433137525318767"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.4433137525318767""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.4433137525318767 +""", +) + +entry( + index = 1373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00019523,'m^3/(mol*s)'), n=2.41952, w0=(301,'kJ/mol'), E0=(46.115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27946047594761203, var=0.057009633607849254, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1808263841203979"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1808263841203979""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1808263841203979 +""", +) + +entry( + index = 1374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000342,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.64,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000161,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.8805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.1023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000203062,'m^3/(mol*s)'), n=2.44195, w0=(301,'kJ/mol'), E0=(40.4556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6940543978932656, var=0.7515007719431936, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.481742952847004"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.481742952847004""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.481742952847004 +""", +) + +entry( + index = 1378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000304487,'m^3/(mol*s)'), n=2.4018, w0=(301,'kJ/mol'), E0=(38.6872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6615563041587749, var=0.08511806872154305, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.2470832494482904"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.2470832494482904""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.2470832494482904 +""", +) + +entry( + index = 1379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000462,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.4012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000218,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(36.0429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00023,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(36.3843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.45727e-05,'m^3/(mol*s)'), n=2.70828, w0=(301,'kJ/mol'), E0=(53.8855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4186034536857178, var=0.7664085691080211, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 2.806808062443883"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.806808062443883""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 2.806808062443883 +""", +) + +entry( + index = 1383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(1.39122e-06,'m^3/(mol*s)'), n=2.9959, w0=(301,'kJ/mol'), E0=(48.9773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48238387998895665, var=1.6074104517759271, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 3.75369694179222"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 3.75369694179222""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 3.75369694179222 +""", +) + +entry( + index = 1384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.35241e-07,'m^3/(mol*s)'), n=3.29601, w0=(301,'kJ/mol'), E0=(46.1452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4538573679196403, var=2.988589809373041, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.606038591393716"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.606038591393716""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.606038591393716 +""", +) + +entry( + index = 1385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000271,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.5316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.7403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000135,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.601,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(8.06021e-05,'m^3/(mol*s)'), n=2.50012, w0=(301,'kJ/mol'), E0=(58.091,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35561933050476835, var=0.41400312400662104, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 2.1834240907821356"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 2.1834240907821356""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 2.1834240907821356 +""", +) + +entry( + index = 1389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000203807,'m^3/(mol*s)'), n=2.39491, w0=(301,'kJ/mol'), E0=(57.8817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3242747499921989, var=0.22967421833078303, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7755166950779808"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7755166950779808""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7755166950779808 +""", +) + +entry( + index = 1390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000292,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.0452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000138,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.1883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000146,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.0211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(5.69529e-05,'m^3/(mol*s)'), n=2.57603, w0=(301,'kJ/mol'), E0=(47.9837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7654082769087791, var=0.8839506534258769, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.807961228539001"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.807961228539001""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.807961228539001 +""", +) + +entry( + index = 1394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(1.37055e-05,'m^3/(mol*s)'), n=2.74879, w0=(301,'kJ/mol'), E0=(44.0759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8308698314787274, var=1.8897032252953803, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 4.843451322640929"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 4.843451322640929""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 4.843451322640929 +""", +) + +entry( + index = 1395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.55498e-06,'m^3/(mol*s)'), n=2.92693, w0=(301,'kJ/mol'), E0=(42.3115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7963437312121998, var=3.455618036101589, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.727524363050363"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.727524363050363""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.727524363050363 +""", +) + +entry( + index = 1396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000367,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.3003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000173,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.1187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000183,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.0664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000139223,'m^3/(mol*s)'), n=2.46928, w0=(301,'kJ/mol'), E0=(51.3131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7035455644761904, var=0.4461411323506539, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H + Total Standard Deviation in ln(k): 3.1067411021642437"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 3.1067411021642437""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H +Total Standard Deviation in ln(k): 3.1067411021642437 +""", +) + +entry( + index = 1400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000257277,'m^3/(mol*s)'), n=2.40315, w0=(301,'kJ/mol'), E0=(50.6889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6779803397442404, var=0.22645852653131113, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.6574746777854332"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6574746777854332""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6574746777854332 +""", +) + +entry( + index = 1401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000394,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.9725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000186,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.0163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000197,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.9023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H-2R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000101549,'m^3/(mol*s)'), n=2.46167, w0=(301,'kJ/mol'), E0=(54.1964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.411682238124682, var=0.27881226367971856, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 2.0929312586596187"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.0929312586596187""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.0929312586596187 +""", +) + +entry( + index = 1405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000104178,'m^3/(mol*s)'), n=2.46879, w0=(301,'kJ/mol'), E0=(53.8993,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3644624779934052, var=0.4576183626147219, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.271887937444812"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.271887937444812""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.271887937444812 +""", +) + +entry( + index = 1406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.00027,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.3912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.4297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000135,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.4249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00017138,'m^3/(mol*s)'), n=2.43393, w0=(301,'kJ/mol'), E0=(47.2907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7764012744905336, var=0.2920401274912301, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.0341305854031306"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.0341305854031306""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.0341305854031306 +""", +) + +entry( + index = 1410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000177046,'m^3/(mol*s)'), n=2.44019, w0=(301,'kJ/mol'), E0=(46.9823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.725386311641393, var=0.4826676609391944, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.2153540816933246"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2153540816933246""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.2153540816933246 +""", +) + +entry( + index = 1411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000365,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.1906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000173,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.1032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000182,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.4411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.36858e-17,'m^3/(mol*s)'), n=6.25044, w0=(298.125,'kJ/mol'), E0=(31.8026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6646553062382831, var=1.4576930825215244, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.090404321930497"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.090404321930497""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.090404321930497 +""", +) + +entry( + index = 1415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.29333e-15,'m^3/(mol*s)'), n=5.75061, w0=(298.476,'kJ/mol'), E0=(37.0212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6346555634484357, var=1.5680687298098321, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.10499237470112"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.10499237470112""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.10499237470112 +""", +) + +entry( + index = 1416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.000109732,'m^3/(mol*s)'), n=2.45607, w0=(301,'kJ/mol'), E0=(68.6985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4315215032274202, var=0.3205880130017576, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 2.2193157493767126"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.2193157493767126""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.2193157493767126 +""", +) + +entry( + index = 1417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000112266,'m^3/(mol*s)'), n=2.49986, w0=(301,'kJ/mol'), E0=(69.0985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42793331201336443, var=0.2634483210227954, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.104184051143733"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.104184051143733""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.104184051143733 +""", +) + +entry( + index = 1418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000193231,'m^3/(mol*s)'), n=2.44581, w0=(301,'kJ/mol'), E0=(68.5019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3597328901386252, var=0.03874606970981177, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.2984639637064492"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2984639637064492""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.2984639637064492 +""", +) + +entry( + index = 1419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000245,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.8428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000271,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.8255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.7122e-05,'m^3/(mol*s)'), n=2.4842, w0=(301,'kJ/mol'), E0=(66.3088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42753551009187535, var=0.13106329686647722, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7999773528668415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7999773528668415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7999773528668415 +""", +) + +entry( + index = 1422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.5308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.73155e-17,'m^3/(mol*s)'), n=6.31533, w0=(298.043,'kJ/mol'), E0=(30.1919,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6337687994639172, var=1.256399098688926, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 3.8394756280635085"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.8394756280635085""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.8394756280635085 +""", +) + +entry( + index = 1425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(7.74302e-11,'m^3/(mol*s)'), n=4.41305, w0=(297.714,'kJ/mol'), E0=(50.8646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5772941093809959, var=1.413648816097036, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.8340568647660773"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.8340568647660773""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.8340568647660773 +""", +) + +entry( + index = 1426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.09924e-08,'m^3/(mol*s)'), n=3.66141, w0=(301,'kJ/mol'), E0=(54.954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5071667792036306, var=0.3345498687505668, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.43383289277613"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.43383289277613""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.43383289277613 +""", +) + +entry( + index = 1427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.36559e-09,'m^3/(mol*s)'), n=3.95398, w0=(301,'kJ/mol'), E0=(53.4894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5684501523238631, var=0.4294529181923345, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.742022883818748"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.742022883818748""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.742022883818748 +""", +) + +entry( + index = 1428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.63477e-06,'m^3/(mol*s)'), n=3.16706, w0=(301,'kJ/mol'), E0=(69.6101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5442421038169386, var=0.41135869294402155, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.653224434686913"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.653224434686913""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.653224434686913 +""", +) + +entry( + index = 1429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.90003e-08,'m^3/(mol*s)'), n=3.79425, w0=(301,'kJ/mol'), E0=(62.5558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5111062753915511, var=1.3096746029950224, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.5784258023533932"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.5784258023533932""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.5784258023533932 +""", +) + +entry( + index = 1430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00123,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.0083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.7692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.52329e-08,'m^3/(mol*s)'), n=3.6299, w0=(301,'kJ/mol'), E0=(51.6724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5048242541735284, var=0.4117394061231428, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.5547794705693403"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5547794705693403""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5547794705693403 +""", +) + +entry( + index = 1433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000424527,'m^3/(mol*s)'), n=2.41294, w0=(301,'kJ/mol'), E0=(58.8767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38126857068233744, var=2.40234969268445e-06, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 0.9610684750365873"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.9610684750365873""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 0.9610684750365873 +""", +) + +entry( + index = 1434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000402,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.0588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00047,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7506,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000264172,'m^3/(mol*s)'), n=2.48432, w0=(301,'kJ/mol'), E0=(67.0485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48143718884690917, var=0.3238114651903605, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 2.350424334579941"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.350424334579941""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.350424334579941 +""", +) + +entry( + index = 1437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000444,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000519,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.9966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000305,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.7976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000357,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.9477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.80206e-09,'m^3/(mol*s)'), n=3.89407, w0=(301,'kJ/mol'), E0=(49.7323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46383056878350915, var=0.5287127232766561, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.6230991309943286"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6230991309943286""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.6230991309943286 +""", +) + +entry( + index = 1442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000415263,'m^3/(mol*s)'), n=2.40643, w0=(301,'kJ/mol'), E0=(59.0828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29828121893137827, var=0.1538482047983796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.535777330816449"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.535777330816449""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.535777330816449 +""", +) + +entry( + index = 1443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000354,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.3172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00046,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.7838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000228959,'m^3/(mol*s)'), n=2.49276, w0=(301,'kJ/mol'), E0=(67.9419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41570853508398714, var=0.5678630987325928, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 2.5551958388638867"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.5551958388638867""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.5551958388638867 +""", +) + +entry( + index = 1446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000391,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.9358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000507,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.5236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000269,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.3074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000349,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.59158e-21,'m^3/(mol*s)'), n=7.55066, w0=(289.5,'kJ/mol'), E0=(8.22922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.759363854215135, var=6.046269902075722, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.837425358169473"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.837425358169473""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.837425358169473 +""", +) + +entry( + index = 1451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(9.4553e-05,'m^3/(mol*s)'), n=2.64445, w0=(289.5,'kJ/mol'), E0=(80.3431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5628883029126583, var=1.5708950753265158, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.9269340076696713"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.9269340076696713""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.9269340076696713 +""", +) + +entry( + index = 1452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000342357,'m^3/(mol*s)'), n=2.45062, w0=(289.5,'kJ/mol'), E0=(82.7451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48904935614110984, var=2.3642817195371717, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.311292184259886"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.311292184259886""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.311292184259886 +""", +) + +entry( + index = 1453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000285,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(84.0399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00079,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.2117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(1.85164e-11,'m^3/(mol*s)'), n=4.88829, w0=(289.5,'kJ/mol'), E0=(50.945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9690762302426997, var=3.011241709168509, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 5.913667596694021"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 5.913667596694021""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 5.913667596694021 +""", +) + +entry( + index = 1456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0342006,'m^3/(mol*s)'), n=2.19966, w0=(289.5,'kJ/mol'), E0=(80.3411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3945830771750891, var=0.6150099686748691, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.5635795618905486"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5635795618905486""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5635795618905486 +""", +) + +entry( + index = 1457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00379,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(76.7627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.0305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.59864e-19,'m^3/(mol*s)'), n=6.76636, w0=(301,'kJ/mol'), E0=(24.2688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6630475894832539, var=0.5657024353221696, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.173773973792317"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.173773973792317""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.173773973792317 +""", +) + +entry( + index = 1460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(9.80623e-06,'m^3/(mol*s)'), n=2.84714, w0=(301,'kJ/mol'), E0=(56.7473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44213788203727444, var=0.593297105484735, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.655062066562399"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.655062066562399""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.655062066562399 +""", +) + +entry( + index = 1461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000135549,'m^3/(mol*s)'), n=2.53631, w0=(301,'kJ/mol'), E0=(57.0202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39521272454533396, var=0.6239437551500533, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.5765392475331503"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5765392475331503""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5765392475331503 +""", +) + +entry( + index = 1462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.14975e-05,'m^3/(mol*s)'), n=2.62942, w0=(301,'kJ/mol'), E0=(56.192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2891019961252368, var=2.2502722382620206, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.7336714573908427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.7336714573908427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.7336714573908427 +""", +) + +entry( + index = 1463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000397,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.3542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000438,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.8997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.93766e-07,'m^3/(mol*s)'), n=3.34083, w0=(301,'kJ/mol'), E0=(53.3068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39677445040371634, var=1.3365164575523252, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.3145509485770557"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.3145509485770557""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.3145509485770557 +""", +) + +entry( + index = 1466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000245823,'m^3/(mol*s)'), n=2.44562, w0=(301,'kJ/mol'), E0=(56.7045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26642010491036094, var=0.9155436269256358, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 2.587608841328965"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.587608841328965""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.587608841328965 +""", +) + +entry( + index = 1467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000316,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.5704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000339,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.4628,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(5.83656e-07,'m^3/(mol*s)'), n=3.20968, w0=(301,'kJ/mol'), E0=(58.9235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4073432579227492, var=4.896180202460219, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 5.459415755973553"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 5.459415755973553""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 5.459415755973553 +""", +) + +entry( + index = 1470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000348,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.9607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000374,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.1748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00024,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.7854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000258,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.1037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00184118,'m^3/(mol*s)'), n=2.3568, w0=(301,'kJ/mol'), E0=(102.33,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.502534182142644, var=0.649685927346977, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.878527261293049"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.878527261293049""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.878527261293049 +""", +) + +entry( + index = 1475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(100.258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(5.03114e-05,'m^3/(mol*s)'), n=2.98433, w0=(289.5,'kJ/mol'), E0=(69.4998,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6126721430549916, var=3.458438817510605, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.267558665596966"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.267558665596966""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.267558665596966 +""", +) + +entry( + index = 1477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(8.32487e-06,'m^3/(mol*s)'), n=3.17454, w0=(289.5,'kJ/mol'), E0=(68.188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5495163536629615, var=9.635386533931317, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.603576274643535"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.603576274643535""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.603576274643535 +""", +) + +entry( + index = 1478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00233,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00646,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.38224e-22,'m^3/(mol*s)'), n=7.62991, w0=(301,'kJ/mol'), E0=(15.6907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.17542349403159577, var=4.7032988919263925, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.788449629154111"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.788449629154111""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.788449629154111 +""", +) + +entry( + index = 1481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000188612,'m^3/(mol*s)'), n=2.46625, w0=(301,'kJ/mol'), E0=(58.1982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5420794206682149, var=0.33157526326338616, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.5163866199988396"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.5163866199988396""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.5163866199988396 +""", +) + +entry( + index = 1482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00023372,'m^3/(mol*s)'), n=2.45296, w0=(301,'kJ/mol'), E0=(57.0543,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4699136809863911, var=0.1239003832252546, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.886344088582355"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.886344088582355""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.886344088582355 +""", +) + +entry( + index = 1483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000314,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.6034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000347,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.2637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000927,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(106.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000179763,'m^3/(mol*s)'), n=2.70436, w0=(289.5,'kJ/mol'), E0=(72.1577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5873069637088888, var=2.2516320456425167, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.48383866223608"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.48383866223608""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.48383866223608 +""", +) + +entry( + index = 1487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00108512,'m^3/(mol*s)'), n=2.44698, w0=(289.5,'kJ/mol'), E0=(76.2406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.55193234106792, var=2.3870415748550657, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.4840911240659524"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.4840911240659524""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.4840911240659524 +""", +) + +entry( + index = 1488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000878,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.6358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00243,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.4971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.6894e-14,'m^3/(mol*s)'), n=5.42832, w0=(298.125,'kJ/mol'), E0=(28.9025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47774949901711194, var=1.535855129101369, Tref=1000.0, N=96, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.684836235815438"""), + rank = 11, + shortDesc = """BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.684836235815438""", + longDesc = +""" +BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.684836235815438 +""", +) + +entry( + index = 1491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.62847e-13,'m^3/(mol*s)'), n=5.08099, w0=(298.476,'kJ/mol'), E0=(32.242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45155230405337926, var=1.6373164216238563, Tref=1000.0, N=82, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 82 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.699765736654517"""), + rank = 11, + shortDesc = """BM rule fitted to 82 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.699765736654517""", + longDesc = +""" +BM rule fitted to 82 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.699765736654517 +""", +) + +entry( + index = 1492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(1.44376e-06,'m^3/(mol*s)'), n=2.98742, w0=(301,'kJ/mol'), E0=(54.4774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3225749917147403, var=0.7070334975648263, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 2.4961771110481865"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.4961771110481865""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.4961771110481865 +""", +) + +entry( + index = 1493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.68909e-07,'m^3/(mol*s)'), n=3.0974, w0=(301,'kJ/mol'), E0=(54.1551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32582505361497677, var=0.7022009561312563, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.498572421065642"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.498572421065642""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.498572421065642 +""", +) + +entry( + index = 1494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.305e-06,'m^3/(mol*s)'), n=2.98945, w0=(301,'kJ/mol'), E0=(54.0899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25842723458073, var=0.7846185276577116, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.4250828372847875"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4250828372847875""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.4250828372847875 +""", +) + +entry( + index = 1495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(4.04682e-06,'m^3/(mol*s)'), n=2.91346, w0=(301,'kJ/mol'), E0=(54.0143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23094199794727455, var=2.52667490655671, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.7668865154877533"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.7668865154877533""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.7668865154877533 +""", +) + +entry( + index = 1496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000199,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.7269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000269,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.6424,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(2.75045e-06,'m^3/(mol*s)'), n=2.97342, w0=(301,'kJ/mol'), E0=(55.0459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2173298542554057, var=2.3301276949795575, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.6062340493100815"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.6062340493100815""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.6062340493100815 +""", +) + +entry( + index = 1499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000219,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.3501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000296,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.4599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000151,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.7862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000204,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.8303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.11192e-07,'m^3/(mol*s)'), n=3.04223, w0=(301,'kJ/mol'), E0=(51.9355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32103909209025205, var=0.8555728883018582, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.66095436002767"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.66095436002767""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.66095436002767 +""", +) + +entry( + index = 1504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(4.95668e-05,'m^3/(mol*s)'), n=2.49512, w0=(301,'kJ/mol'), E0=(60.0655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1421671436020069, var=0.0749641814328112, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.9060920740284002"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.9060920740284002""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.9060920740284002 +""", +) + +entry( + index = 1505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(9.37e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.6164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000103,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.1241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(6.27488e-05,'m^3/(mol*s)'), n=2.50379, w0=(301,'kJ/mol'), E0=(53.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40495337177864793, var=0.11199312730500607, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.688362879541966"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.688362879541966""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.688362879541966 +""", +) + +entry( + index = 1508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000127,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00014,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.1545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.11e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.858,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.61e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1512, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(4.36114e-14,'m^3/(mol*s)'), n=5.33338, w0=(298.043,'kJ/mol'), E0=(28.721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4486652428974212, var=1.3428968563656642, Tref=1000.0, N=70, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 3.4504553074744493"""), + rank = 11, + shortDesc = """BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.4504553074744493""", + longDesc = +""" +BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 3.4504553074744493 +""", +) + +entry( + index = 1513, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.87027e-12,'m^3/(mol*s)'), n=4.86886, w0=(297.714,'kJ/mol'), E0=(33.3722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45478713368770013, var=1.4940715047012618, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R + Total Standard Deviation in ln(k): 3.5931133847885337"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.5931133847885337""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R +Total Standard Deviation in ln(k): 3.5931133847885337 +""", +) + +entry( + index = 1514, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.52554e-09,'m^3/(mol*s)'), n=3.79933, w0=(301,'kJ/mol'), E0=(42.3748,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36326946510859554, var=0.5441999982965806, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.3916286609787454"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.3916286609787454""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.3916286609787454 +""", +) + +entry( + index = 1515, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.94942e-09,'m^3/(mol*s)'), n=3.88272, w0=(301,'kJ/mol'), E0=(42.4481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40057266007077247, var=0.5859088203093304, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.5409820417077533"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5409820417077533""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.5409820417077533 +""", +) + +entry( + index = 1516, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.0718e-10,'m^3/(mol*s)'), n=4.33555, w0=(301,'kJ/mol'), E0=(42.126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37480030797033187, var=0.47474320521251673, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.3230040889315426"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.3230040889315426""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.3230040889315426 +""", +) + +entry( + index = 1517, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.89876e-11,'m^3/(mol*s)'), n=4.55551, w0=(301,'kJ/mol'), E0=(36.8519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3380165676102797, var=0.7147908073084797, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.5441971817624727"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5441971817624727""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.5441971817624727 +""", +) + +entry( + index = 1518, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(1.39785e-06,'m^3/(mol*s)'), n=3.24564, w0=(301,'kJ/mol'), E0=(53.2777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3235351553715411, var=1.7728496259743491, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 3.4821750679629093"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 3.4821750679629093""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 3.4821750679629093 +""", +) + +entry( + index = 1519, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000993,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1520, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1521, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H", + kinetics = ArrheniusBM(A=(1.72987e-06,'m^3/(mol*s)'), n=3.23167, w0=(301,'kJ/mol'), E0=(60.2874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35828135723771337, var=1.4986566066960945, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H + Total Standard Deviation in ln(k): 3.3543937004904105"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 3.3543937004904105""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H +Total Standard Deviation in ln(k): 3.3543937004904105 +""", +) + +entry( + index = 1522, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.7008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1523, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00148,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.6242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_Ext-8R!H-R_N-Sp-13R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1524, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000754,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.5151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1525, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.3262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1526, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.77025e-14,'m^3/(mol*s)'), n=5.17324, w0=(301,'kJ/mol'), E0=(20.4305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3402500571436788, var=0.21976438656212444, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.7947000874849004"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7947000874849004""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.7947000874849004 +""", +) + +entry( + index = 1527, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(8.11582e-07,'m^3/(mol*s)'), n=3.18445, w0=(301,'kJ/mol'), E0=(42.1808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2880478910452315, var=0.7324910007854055, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 2.4395047303170285"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.4395047303170285""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.4395047303170285 +""", +) + +entry( + index = 1528, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000341729,'m^3/(mol*s)'), n=2.41384, w0=(301,'kJ/mol'), E0=(52.4991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1041427361733569, var=3.722947836720963e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.2738972505529741"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.2738972505529741""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.2738972505529741 +""", +) + +entry( + index = 1529, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000326,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.6856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1530, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000381,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.3887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1531, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000460207,'m^3/(mol*s)'), n=2.41421, w0=(301,'kJ/mol'), E0=(46.5692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35409279871212523, var=2.2575636913210142e-11, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.8896899240376119"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8896899240376119""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8896899240376119 +""", +) + +entry( + index = 1532, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00044,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.7503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1533, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000515,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.4696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1534, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H", + kinetics = ArrheniusBM(A=(1.15218e-07,'m^3/(mol*s)'), n=3.43953, w0=(301,'kJ/mol'), E0=(46.9681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4001012878818389, var=0.6786219775386246, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H + Total Standard Deviation in ln(k): 2.6567506093187956"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.6567506093187956""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H +Total Standard Deviation in ln(k): 2.6567506093187956 +""", +) + +entry( + index = 1535, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000177512,'m^3/(mol*s)'), n=2.5074, w0=(301,'kJ/mol'), E0=(59.4295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21598248465189154, var=0.25305866607418676, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.5511502719796233"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.5511502719796233""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.5511502719796233 +""", +) + +entry( + index = 1536, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000359,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.0729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1537, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00042,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1538, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000229859,'m^3/(mol*s)'), n=2.51287, w0=(301,'kJ/mol'), E0=(53.8727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43861663435295656, var=0.2863969986996588, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.1749073171594353"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.1749073171594353""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.1749073171594353 +""", +) + +entry( + index = 1539, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000486,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.5883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1540, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000568,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.2056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-12R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1541, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(4.30583e-15,'m^3/(mol*s)'), n=5.50227, w0=(301,'kJ/mol'), E0=(20.2173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29813209912024047, var=2.732842885572169, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 4.063165803568877"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 4.063165803568877""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 4.063165803568877 +""", +) + +entry( + index = 1542, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000247,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1543, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000289,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1544, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.03507e-14,'m^3/(mol*s)'), n=5.43071, w0=(301,'kJ/mol'), E0=(16.7403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5337206269890085, var=3.162248286944574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 4.905969154265145"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 4.905969154265145""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 4.905969154265145 +""", +) + +entry( + index = 1545, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000334,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.9096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1546, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000391,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.5289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1547, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.40332e-14,'m^3/(mol*s)'), n=5.29499, w0=(301,'kJ/mol'), E0=(19.7636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3259043026187612, var=0.2755178994160374, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.8711364433763753"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8711364433763753""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8711364433763753 +""", +) + +entry( + index = 1548, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.29498e-06,'m^3/(mol*s)'), n=3.11696, w0=(301,'kJ/mol'), E0=(43.1042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2123506744952912, var=0.7892979990278606, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 2.3146000619239473"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.3146000619239473""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.3146000619239473 +""", +) + +entry( + index = 1549, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000341473,'m^3/(mol*s)'), n=2.40451, w0=(301,'kJ/mol'), E0=(52.8269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029062609384173415, var=0.16032001576199076, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.8757171955193981"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.8757171955193981""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.8757171955193981 +""", +) + +entry( + index = 1550, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000287,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.0619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1551, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000372,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.4886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1552, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00046084,'m^3/(mol*s)'), n=2.40474, w0=(301,'kJ/mol'), E0=(46.8351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27575898392878156, var=0.1543907175232816, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.4805739874778001"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.4805739874778001""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.4805739874778001 +""", +) + +entry( + index = 1553, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000388,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.0622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1554, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000503,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.5113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1555, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.37758e-07,'m^3/(mol*s)'), n=3.40808, w0=(301,'kJ/mol'), E0=(48.4605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29551605978595225, var=0.6942084903289544, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 2.412831387866343"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.412831387866343""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 2.412831387866343 +""", +) + +entry( + index = 1556, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000143271,'m^3/(mol*s)'), n=2.52498, w0=(301,'kJ/mol'), E0=(60.3141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15890649758061934, var=0.5123920036195103, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.8342832415933532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.8342832415933532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.8342832415933532 +""", +) + +entry( + index = 1557, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000317,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.6428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1558, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000411,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1559, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000189715,'m^3/(mol*s)'), n=2.5274, w0=(301,'kJ/mol'), E0=(54.7848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37853781686642546, var=0.5309271814634765, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.4118452477198775"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4118452477198775""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4118452477198775 +""", +) + +entry( + index = 1560, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000428,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000555,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.7863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000301518,'m^3/(mol*s)'), n=2.38588, w0=(301,'kJ/mol'), E0=(59.6416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1114302988786123, var=0.035924883483228906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.659950318977724"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.659950318977724""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.659950318977724 +""", +) + +entry( + index = 1563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000218,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.6625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000283,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.1676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000398056,'m^3/(mol*s)'), n=2.3888, w0=(301,'kJ/mol'), E0=(53.8699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3458554229927629, var=0.029139720556639666, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.2111989784432171"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.2111989784432171""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.2111989784432171 +""", +) + +entry( + index = 1566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000295,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.9036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.4483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.19669e-17,'m^3/(mol*s)'), n=6.37094, w0=(289.5,'kJ/mol'), E0=(11.0947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38149003844458185, var=3.1761239250899727, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.531293031865026"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.531293031865026""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.531293031865026 +""", +) + +entry( + index = 1569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.66379e-07,'m^3/(mol*s)'), n=3.32792, w0=(289.5,'kJ/mol'), E0=(63.5527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46934749932375613, var=1.2991745293381338, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 3.4642889277916953"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.4642889277916953""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 3.4642889277916953 +""", +) + +entry( + index = 1570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.4631e-06,'m^3/(mol*s)'), n=2.9832, w0=(289.5,'kJ/mol'), E0=(67.4566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3926786116920048, var=1.3354261936145788, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.303314399697586"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.303314399697586""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.303314399697586 +""", +) + +entry( + index = 1571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(5.03133e-06,'m^3/(mol*s)'), n=2.90487, w0=(289.5,'kJ/mol'), E0=(69.1696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4906324409100615, var=2.202458599849677, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 4.207908524145681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.207908524145681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 4.207908524145681 +""", +) + +entry( + index = 1572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000231,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(76.8626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000312,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(71.1659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.21335e-05,'m^3/(mol*s)'), n=2.92218, w0=(289.5,'kJ/mol'), E0=(67.1124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23588747100586785, var=2.095714710476354, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.49485357069582"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.49485357069582""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.49485357069582 +""", +) + +entry( + index = 1575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00064,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.9585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1576, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000865,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.3248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1577, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000865,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.3607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1578, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(68.5732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1579, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(3.51665e-16,'m^3/(mol*s)'), n=6.23346, w0=(289.5,'kJ/mol'), E0=(9.14779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6340637256074556, var=1.5495953828994995, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 4.088674195144814"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.088674195144814""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 4.088674195144814 +""", +) + +entry( + index = 1580, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00158653,'m^3/(mol*s)'), n=2.57421, w0=(289.5,'kJ/mol'), E0=(66.7025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.274292498890853, var=0.8827551166284321, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.572726950103302"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.572726950103302""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.572726950103302 +""", +) + +entry( + index = 1581, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(4.75351e-05,'m^3/(mol*s)'), n=2.94723, w0=(289.5,'kJ/mol'), E0=(61.6225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3572719542715793, var=2.2301249297696377, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.8914599659258005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.8914599659258005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.8914599659258005 +""", +) + +entry( + index = 1582, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00307,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.7081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1583, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00414,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(63.9502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1584, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000111641,'m^3/(mol*s)'), n=2.96791, w0=(289.5,'kJ/mol'), E0=(64.3328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1833148478384868, var=2.046343815830271, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.328373103873294"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.328373103873294""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.328373103873294 +""", +) + +entry( + index = 1585, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0085,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1586, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0115,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(67.0671,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1587, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0115,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(60.8893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1588, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0155,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(54.8113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Ext-9R!H-R_N-Sp-2R!H=1R!H_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1589, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(7.251e-16,'m^3/(mol*s)'), n=5.7717, w0=(301,'kJ/mol'), E0=(23.5246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48894316761772716, var=0.7117859606529807, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.919843451993309"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.919843451993309""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.919843451993309 +""", +) + +entry( + index = 1590, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(6.52847e-09,'m^3/(mol*s)'), n=3.74987, w0=(301,'kJ/mol'), E0=(40.0457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3578296284111419, var=0.9745847321726119, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.878165099572388"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.878165099572388""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.878165099572388 +""", +) + +entry( + index = 1591, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.41348e-06,'m^3/(mol*s)'), n=3.0302, w0=(301,'kJ/mol'), E0=(44.0154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27813686206624866, var=1.0472750528850863, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.750411196844912"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.750411196844912""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.750411196844912 +""", +) + +entry( + index = 1592, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.36506e-07,'m^3/(mol*s)'), n=3.28887, w0=(301,'kJ/mol'), E0=(41.6819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20595735489754505, var=1.5751092956073947, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.0334906392657457"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.0334906392657457""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.0334906392657457 +""", +) + +entry( + index = 1593, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(1.71395e-05,'m^3/(mol*s)'), n=2.79369, w0=(301,'kJ/mol'), E0=(50.2171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18472648901916364, var=2.909794327386781, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.883837910868316"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.883837910868316""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.883837910868316 +""", +) + +entry( + index = 1594, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000322,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.9054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1595, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000435,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.3973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1596, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(2.68504e-05,'m^3/(mol*s)'), n=2.75003, w0=(301,'kJ/mol'), E0=(42.383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08953262181074116, var=3.1373900869905738, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 3.775879290985058"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.775879290985058""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 3.775879290985058 +""", +) + +entry( + index = 1597, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000355,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.7815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1598, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00048,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.9895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000244,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.9267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.1924,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.90948e-20,'m^3/(mol*s)'), n=7.05995, w0=(301,'kJ/mol'), E0=(0.232321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3034448293015678, var=0.9112503926235965, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.676132992903447"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.676132992903447""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.676132992903447 +""", +) + +entry( + index = 1602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(3.13604e-05,'m^3/(mol*s)'), n=2.69448, w0=(301,'kJ/mol'), E0=(46.087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12664818642551895, var=1.3449702342837606, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 2.643159962952344"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.643159962952344""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 2.643159962952344 +""", +) + +entry( + index = 1603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00013938,'m^3/(mol*s)'), n=2.4901, w0=(301,'kJ/mol'), E0=(51.3949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05159523081496846, var=0.8454532602904435, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.9729607396714441"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.9729607396714441""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.9729607396714441 +""", +) + +entry( + index = 1604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000256,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.7335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000275,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000256459,'m^3/(mol*s)'), n=2.45177, w0=(301,'kJ/mol'), E0=(44.6946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25607930901422044, var=0.9150599846531754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.5611202208731427"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.5611202208731427""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.5611202208731427 +""", +) + +entry( + index = 1607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000346,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.6075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000372,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.5136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(6.1097e-20,'m^3/(mol*s)'), n=6.92126, w0=(301,'kJ/mol'), E0=(0.7289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39337959341227235, var=2.1332362115522674, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 3.916427281858101"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 3.916427281858101""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 3.916427281858101 +""", +) + +entry( + index = 1610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(2.11243e-09,'m^3/(mol*s)'), n=3.88299, w0=(301,'kJ/mol'), E0=(46.9267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11989919864507846, var=4.228665132849567, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 4.423735022162595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.423735022162595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.423735022162595 +""", +) + +entry( + index = 1611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000282,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.6126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000303,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.3048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(4.91513e-09,'m^3/(mol*s)'), n=3.81544, w0=(301,'kJ/mol'), E0=(41.3548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3957747118182124, var=4.766743346745386, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 5.371321417786884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 5.371321417786884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 5.371321417786884 +""", +) + +entry( + index = 1614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000381,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.9882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00041,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.0638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.26495e-05,'m^3/(mol*s)'), n=2.53685, w0=(301,'kJ/mol'), E0=(56.1376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.260998900699349, var=1.1700100976703343, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 2.82423802437119"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.82423802437119""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.82423802437119 +""", +) + +entry( + index = 1617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000194,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.6864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000209,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.8525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000123746,'m^3/(mol*s)'), n=2.50791, w0=(301,'kJ/mol'), E0=(49.6643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5821343130031871, var=1.2824516507730574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.7329189208900213"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.7329189208900213""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.7329189208900213 +""", +) + +entry( + index = 1620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000262,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000282,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.1794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(5.59132e-05,'m^3/(mol*s)'), n=2.78419, w0=(301,'kJ/mol'), E0=(87.2604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3954478052917793, var=0.8058792284827202, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.793253693034604"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.793253693034604""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.793253693034604 +""", +) + +entry( + index = 1623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.783e-05,'m^3/(mol*s)'), n=2.88641, w0=(301,'kJ/mol'), E0=(84.4839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3697986880974021, var=1.8715522304688383, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.671713974317049"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.671713974317049""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.671713974317049 +""", +) + +entry( + index = 1624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(92.1724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.7357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000861,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(95.5078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(90.0314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.09131e-07,'m^3/(mol*s)'), n=3.74005, w0=(289.5,'kJ/mol'), E0=(53.7384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5343531793484738, var=2.3981000047080574, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.447088566594267"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.447088566594267""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.447088566594267 +""", +) + +entry( + index = 1629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(3.68495e-10,'m^3/(mol*s)'), n=4.41454, w0=(289.5,'kJ/mol'), E0=(47.9934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5069740272009874, var=3.55360152734415, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 5.052929926196922"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.052929926196922""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 5.052929926196922 +""", +) + +entry( + index = 1630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000201303,'m^3/(mol*s)'), n=2.7073, w0=(289.5,'kJ/mol'), E0=(68.6749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.539680792879205, var=2.885226009440286, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 4.761215481457321"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.761215481457321""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.761215481457321 +""", +) + +entry( + index = 1631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00189,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.5364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00255,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(68.1595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000926093,'m^3/(mol*s)'), n=2.64417, w0=(289.5,'kJ/mol'), E0=(58.4302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24944876846932365, var=3.196163555061015, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H + Total Standard Deviation in ln(k): 4.210784467480703"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.210784467480703""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H +Total Standard Deviation in ln(k): 4.210784467480703 +""", +) + +entry( + index = 1634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00523,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(63.897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00707,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(57.0928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-10R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00707,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(68.2057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00956,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(61.4898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-9R!H-inRing_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.09473e-20,'m^3/(mol*s)'), n=7.14605, w0=(301,'kJ/mol'), E0=(3.47369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5015342439474821, var=0.5671414773358086, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.7698781435480457"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7698781435480457""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.7698781435480457 +""", +) + +entry( + index = 1639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(1.23846e-05,'m^3/(mol*s)'), n=2.79758, w0=(301,'kJ/mol'), E0=(46.7541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39770493977440663, var=0.9695130952938152, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 2.9731981039172504"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.9731981039172504""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 2.9731981039172504 +""", +) + +entry( + index = 1640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.91022e-05,'m^3/(mol*s)'), n=2.7572, w0=(301,'kJ/mol'), E0=(45.8774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3265344692946519, var=1.1055902971975347, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.9283582401229946"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.9283582401229946""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.9283582401229946 +""", +) + +entry( + index = 1641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(6.16992e-05,'m^3/(mol*s)'), n=2.60519, w0=(301,'kJ/mol'), E0=(45.5018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21295559965304486, var=3.401812835357976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 4.232598499287924"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.232598499287924""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.232598499287924 +""", +) + +entry( + index = 1642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000255,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.7328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000344,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.6872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.28364e-05,'m^3/(mol*s)'), n=2.7411, w0=(301,'kJ/mol'), E0=(47.7375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3948716320452295, var=3.1361753186850057, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 4.542375225033784"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.542375225033784""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.542375225033784 +""", +) + +entry( + index = 1645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000281,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.9989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00038,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.3442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000193,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.0234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000261,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.2549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H", + kinetics = ArrheniusBM(A=(3.56523e-05,'m^3/(mol*s)'), n=2.80765, w0=(301,'kJ/mol'), E0=(91.8777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3816928947450927, var=2.0136508979647756, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H + Total Standard Deviation in ln(k): 3.8038099508763787"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 3.8038099508763787""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H +Total Standard Deviation in ln(k): 3.8038099508763787 +""", +) + +entry( + index = 1650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000751,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(98.6443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(93.0607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.103e-06,'m^3/(mol*s)'), n=3.20195, w0=(289.5,'kJ/mol'), E0=(58.6242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47837933746949246, var=1.8323699833567717, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.9156690017115676"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.9156690017115676""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.9156690017115676 +""", +) + +entry( + index = 1653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.99439e-05,'m^3/(mol*s)'), n=2.78067, w0=(289.5,'kJ/mol'), E0=(64.1189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43020780716445695, var=1.568789341169589, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.5918813055467402"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.5918813055467402""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.5918813055467402 +""", +) + +entry( + index = 1654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(6.96866e-05,'m^3/(mol*s)'), n=2.71776, w0=(289.5,'kJ/mol'), E0=(65.7535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5789569099876838, var=2.9189910961308128, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 4.879766539615295"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.879766539615295""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 4.879766539615295 +""", +) + +entry( + index = 1655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000711,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(71.7122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000961,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(65.3249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000180747,'m^3/(mol*s)'), n=2.72591, w0=(289.5,'kJ/mol'), E0=(63.535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23690148926107868, var=2.858179831286055, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.9844655118746752"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.9844655118746752""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.9844655118746752 +""", +) + +entry( + index = 1658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00197,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(63.149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00266,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(65.5625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0036,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(58.83,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Ext-1R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.70738e-07,'m^3/(mol*s)'), n=3.46511, w0=(297.933,'kJ/mol'), E0=(54.3801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5004533252509388, var=1.0976913827290637, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.3577967521527565"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.3577967521527565""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.3577967521527565 +""", +) + +entry( + index = 1663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.35687e-07,'m^3/(mol*s)'), n=3.4922, w0=(298.346,'kJ/mol'), E0=(54.2745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5008331121178776, var=1.2918381984516762, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.5369377037013594"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5369377037013594""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.5369377037013594 +""", +) + +entry( + index = 1664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00251602,'m^3/(mol*s)'), n=2.26254, w0=(298.444,'kJ/mol'), E0=(68.2423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3994005928639169, var=1.530401612169551, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.4835648517338216"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.4835648517338216""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.4835648517338216 +""", +) + +entry( + index = 1665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000615431,'m^3/(mol*s)'), n=2.30584, w0=(301,'kJ/mol'), E0=(69.8357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43150253599537114, var=0.20959846790757103, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 2.001983540598092"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.001983540598092""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.001983540598092 +""", +) + +entry( + index = 1666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000388,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7215,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(9.15495e-06,'m^3/(mol*s)'), n=2.99905, w0=(297.714,'kJ/mol'), E0=(60.4875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44406967797310043, var=1.2331750767004108, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 3.34197951457324"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.34197951457324""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.34197951457324 +""", +) + +entry( + index = 1668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000415105,'m^3/(mol*s)'), n=2.49495, w0=(301,'kJ/mol'), E0=(63.2463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4045606158819153, var=0.052494452776663106, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.4758022035000864"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.4758022035000864""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.4758022035000864 +""", +) + +entry( + index = 1669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000532687,'m^3/(mol*s)'), n=2.48482, w0=(301,'kJ/mol'), E0=(65.2308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4251259606342552, var=0.07188518261430073, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6056534658456925"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6056534658456925""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6056534658456925 +""", +) + +entry( + index = 1670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.00194,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.8885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000636,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.6907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000744,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000561,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.5054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000727,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.2723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.58707e-18,'m^3/(mol*s)'), n=6.6682, w0=(289.5,'kJ/mol'), E0=(16.317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4271924632003077, var=22.304608856185578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 10.541261696850707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.541261696850707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.541261696850707 +""", +) + +entry( + index = 1676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000517,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00686,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(67.8371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000388714,'m^3/(mol*s)'), n=2.45366, w0=(301,'kJ/mol'), E0=(56.2718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.450791267159554, var=0.5685704571032071, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.6442840166629322"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.6442840166629322""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.6442840166629322 +""", +) + +entry( + index = 1679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000628,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.4918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000499,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.8513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000537,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.1281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000497,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.7404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00159,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(67.7985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.43793e-08,'m^3/(mol*s)'), n=3.65703, w0=(297.933,'kJ/mol'), E0=(42.1471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3630605097279626, var=1.301908181605798, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.1996389381997665"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.1996389381997665""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.1996389381997665 +""", +) + +entry( + index = 1686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.35289e-08,'m^3/(mol*s)'), n=3.7027, w0=(298.346,'kJ/mol'), E0=(41.5851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36291441694583904, var=1.452131191892451, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.3276393700467337"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.3276393700467337""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.3276393700467337 +""", +) + +entry( + index = 1687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000414545,'m^3/(mol*s)'), n=2.47939, w0=(298.444,'kJ/mol'), E0=(55.8629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2713837605009941, var=1.6836947383786387, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 3.283158118180731"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.283158118180731""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 3.283158118180731 +""", +) + +entry( + index = 1688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(1.07913e-05,'m^3/(mol*s)'), n=2.8014, w0=(301,'kJ/mol'), E0=(55.4349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3097030675260926, var=0.7918868166551922, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 2.562122514644294"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.562122514644294""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 2.562122514644294 +""", +) + +entry( + index = 1689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.89808e-06,'m^3/(mol*s)'), n=3.0645, w0=(301,'kJ/mol'), E0=(54.5184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.284982654675123, var=2.144167653428354, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.651565714729977"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.651565714729977""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.651565714729977 +""", +) + +entry( + index = 1690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000314,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.8208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000425,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000148,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.4817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0002,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.6672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.22242e-07,'m^3/(mol*s)'), n=3.52859, w0=(297.714,'kJ/mol'), E0=(43.7103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34819101034678696, var=1.3043167950167154, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 3.1643933520009035"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.1643933520009035""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 3.1643933520009035 +""", +) + +entry( + index = 1695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000152036,'m^3/(mol*s)'), n=2.61239, w0=(301,'kJ/mol'), E0=(51.3811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2688261353040465, var=0.43686010738788844, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.000480093898113"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.000480093898113""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.000480093898113 +""", +) + +entry( + index = 1696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000293028,'m^3/(mol*s)'), n=2.55164, w0=(301,'kJ/mol'), E0=(53.5667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2695515679602669, var=0.5275584825713576, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.1333689098969235"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1333689098969235""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.1333689098969235 +""", +) + +entry( + index = 1697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(5.2698e-10,'m^3/(mol*s)'), n=4.28361, w0=(301,'kJ/mol'), E0=(20.1409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3288604918906119, var=1.474703085999202, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 3.260779868496228"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.260779868496228""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 3.260779868496228 +""", +) + +entry( + index = 1698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00212,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.6163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00014003,'m^3/(mol*s)'), n=2.58186, w0=(301,'kJ/mol'), E0=(53.5553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12593715136397232, var=0.1344513049036971, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.051513286206546"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.051513286206546""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.051513286206546 +""", +) + +entry( + index = 1701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000515,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.25,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000603,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.4803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000162608,'m^3/(mol*s)'), n=2.60067, w0=(301,'kJ/mol'), E0=(48.0035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3334156501159797, var=0.16858380608433607, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.6608511045793501"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.6608511045793501""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.6608511045793501 +""", +) + +entry( + index = 1704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000696,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.8143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000814,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000614437,'m^3/(mol*s)'), n=2.38854, w0=(301,'kJ/mol'), E0=(54.368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1333493946859681, var=0.219661319003983, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.2746287718837337"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.2746287718837337""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.2746287718837337 +""", +) + +entry( + index = 1707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000454,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000589,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.0156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000832892,'m^3/(mol*s)'), n=2.38813, w0=(301,'kJ/mol'), E0=(48.8428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35245341743117775, var=0.22513667643463398, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.8367794703563245"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.8367794703563245""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.8367794703563245 +""", +) + +entry( + index = 1710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000614,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.7721,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000795,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.4832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(3.23604e-14,'m^3/(mol*s)'), n=5.48685, w0=(289.5,'kJ/mol'), E0=(16.4441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29503935113103386, var=5.008529383870659, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.22785067036204"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.22785067036204""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.22785067036204 +""", +) + +entry( + index = 1713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.62397e-06,'m^3/(mol*s)'), n=3.05997, w0=(289.5,'kJ/mol'), E0=(58.3518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3709936572204527, var=1.9957820741572894, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.7642772397017175"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.7642772397017175""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.7642772397017175 +""", +) + +entry( + index = 1714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000419,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(67.7007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000566,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(62.2164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.36929e-05,'m^3/(mol*s)'), n=3.1761, w0=(289.5,'kJ/mol'), E0=(49.8897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2259029222434959, var=2.0334755790700143, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.42634720650168"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.42634720650168""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.42634720650168 +""", +) + +entry( + index = 1717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00556,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(60.4195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00751,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(54.8254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(7.23597e-06,'m^3/(mol*s)'), n=2.94187, w0=(301,'kJ/mol'), E0=(43.2114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3287228207204647, var=1.0234378506912016, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.854029085187077"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.854029085187077""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.854029085187077 +""", +) + +entry( + index = 1720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.26968e-05,'m^3/(mol*s)'), n=2.88795, w0=(301,'kJ/mol'), E0=(40.5016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.294463437929811, var=2.9865478101931067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.204367134071107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.204367134071107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.204367134071107 +""", +) + +entry( + index = 1721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000509,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.0494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000687,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.5052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000327835,'m^3/(mol*s)'), n=2.44059, w0=(301,'kJ/mol'), E0=(52.556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13297069064607744, var=0.45317905362547384, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.6836562987432384"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.6836562987432384""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.6836562987432384 +""", +) + +entry( + index = 1724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000404,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.4377,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000435,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.2223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000461606,'m^3/(mol*s)'), n=2.4355, w0=(301,'kJ/mol'), E0=(46.0655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4314859925151852, var=0.4744124591948452, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.4649491851588734"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4649491851588734""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.4649491851588734 +""", +) + +entry( + index = 1727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000546,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.9038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000588,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.6779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-2R!H=1R!H_N-4R!H-inRing_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0002267,'m^3/(mol*s)'), n=2.76639, w0=(289.5,'kJ/mol'), E0=(56.8171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23987980837411538, var=2.8331364311144607, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.9770677990741983"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.9770677990741983""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.9770677990741983 +""", +) + +entry( + index = 1730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00342,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(63.2154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00462,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(56.8241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.54728e-05,'m^3/(mol*s)'), n=2.83429, w0=(301,'kJ/mol'), E0=(45.2177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4187358732656894, var=3.014317211917048, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.532678948127083"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.532678948127083""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.532678948127083 +""", +) + +entry( + index = 1733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000403,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000544,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.7485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.71831e-05,'m^3/(mol*s)'), n=2.79631, w0=(289.5,'kJ/mol'), E0=(55.1453,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19268135853576096, var=2.789268920218853, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.8322530216717077"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.8322530216717077""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.8322530216717077 +""", +) + +entry( + index = 1736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(61.8219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00174,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(55.4374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(9.0474e-08,'m^3/(mol*s)'), n=3.63702, w0=(299.392,'kJ/mol'), E0=(59.5335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36876278733455536, var=1.19193543413209, Tref=1000.0, N=348, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R',), comment="""BM rule fitted to 348 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.115225136759098"""), + rank = 11, + shortDesc = """BM rule fitted to 348 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.115225136759098""", + longDesc = +""" +BM rule fitted to 348 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.115225136759098 +""", +) + +entry( + index = 1739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.0293e-09,'m^3/(mol*s)'), n=4.11746, w0=(298.6,'kJ/mol'), E0=(54.5495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.553583095179872, var=1.2385077193459098, Tref=1000.0, N=70, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing',), comment="""BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 3.62194711888171"""), + rank = 11, + shortDesc = """BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 3.62194711888171""", + longDesc = +""" +BM rule fitted to 70 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 3.62194711888171 +""", +) + +entry( + index = 1740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.05178e-05,'m^3/(mol*s)'), n=2.94094, w0=(301,'kJ/mol'), E0=(71.5515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2913148166835158, var=0.6906679660554523, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.398010644335729"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.398010644335729""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.398010644335729 +""", +) + +entry( + index = 1741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.15313e-05,'m^3/(mol*s)'), n=2.93128, w0=(301,'kJ/mol'), E0=(72.0109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2880764278918795, var=0.7577508803344771, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.4689097011845353"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4689097011845353""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4689097011845353 +""", +) + +entry( + index = 1742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0014701,'m^3/(mol*s)'), n=2.33085, w0=(301,'kJ/mol'), E0=(80.0785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26695459442269714, var=0.7172920458615004, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.3686123845455067"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3686123845455067""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.3686123845455067 +""", +) + +entry( + index = 1743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000605156,'m^3/(mol*s)'), n=2.34124, w0=(301,'kJ/mol'), E0=(82.8268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26994113757078736, var=0.12849144940875562, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.3968554657484524"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.3968554657484524""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.3968554657484524 +""", +) + +entry( + index = 1744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000510365,'m^3/(mol*s)'), n=2.40922, w0=(301,'kJ/mol'), E0=(83.4768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2763201496415478, var=0.010576125138984475, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9004392684445143"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9004392684445143""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9004392684445143 +""", +) + +entry( + index = 1745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000479,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.0128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000226,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.1361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.82542e-05,'m^3/(mol*s)'), n=2.91697, w0=(301,'kJ/mol'), E0=(73.558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3128753085993711, var=0.08124517274129128, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.3575393076067204"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.3575393076067204""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.3575393076067204 +""", +) + +entry( + index = 1748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9.19197e-07,'m^3/(mol*s)'), n=3.30973, w0=(301,'kJ/mol'), E0=(71.2544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3773489347332948, var=0.13712447283179957, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6904727505742472"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6904727505742472""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6904727505742472 +""", +) + +entry( + index = 1749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.00509666,'m^3/(mol*s)'), n=2.32289, w0=(301,'kJ/mol'), E0=(91.1925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3731196713226691, var=0.09053164275218233, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.540680857154248"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.540680857154248""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.540680857154248 +""", +) + +entry( + index = 1750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00239,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(91.1142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000832839,'m^3/(mol*s)'), n=2.41238, w0=(301,'kJ/mol'), E0=(74.1891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35824971759272767, var=0.00011665677909636197, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.9217776146528365"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.9217776146528365""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.9217776146528365 +""", +) + +entry( + index = 1752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000785,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000918,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.0944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000881,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00103,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.8271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00077045,'m^3/(mol*s)'), n=2.41262, w0=(301,'kJ/mol'), E0=(75.8141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2654885280965318, var=0.21603004873952036, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.598838076865929"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.598838076865929""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.598838076865929 +""", +) + +entry( + index = 1757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000691,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.2695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000896,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.4052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-1R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000776,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.4322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.4798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000391055,'m^3/(mol*s)'), n=2.47905, w0=(301,'kJ/mol'), E0=(69.4377,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2859874444242765, var=1.3746327271951697, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.069007694663706"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.069007694663706""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.069007694663706 +""", +) + +entry( + index = 1762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000775,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000616,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000662,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.0609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00087,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.5747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000691,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.2062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000743,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.3563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000613,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.9172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.36832e-09,'m^3/(mol*s)'), n=4.08564, w0=(297.5,'kJ/mol'), E0=(54.0186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5629516355623074, var=1.1622022360302058, Tref=1000.0, N=48, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.575665696860862"""), + rank = 11, + shortDesc = """BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.575665696860862""", + longDesc = +""" +BM rule fitted to 48 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.575665696860862 +""", +) + +entry( + index = 1770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.65412e-10,'m^3/(mol*s)'), n=4.14536, w0=(297.182,'kJ/mol'), E0=(53.5193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5726387182504513, var=1.172974154999872, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.6099976517258394"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.6099976517258394""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.6099976517258394 +""", +) + +entry( + index = 1771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.08376e-22,'m^3/(mol*s)'), n=7.63053, w0=(299.552,'kJ/mol'), E0=(14.7514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4900628508272171, var=3.0814501454898413, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 7.263000447576205"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.263000447576205""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 7.263000447576205 +""", +) + +entry( + index = 1772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000252797,'m^3/(mol*s)'), n=2.38692, w0=(301,'kJ/mol'), E0=(76.1133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18429648566565557, var=0.14913372036224956, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.237241787131398"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.237241787131398""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.237241787131398 +""", +) + +entry( + index = 1773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000158268,'m^3/(mol*s)'), n=2.49192, w0=(301,'kJ/mol'), E0=(76.2981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19389623848235957, var=0.09916758692111269, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1184853062838775"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1184853062838775""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1184853062838775 +""", +) + +entry( + index = 1774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000127904,'m^3/(mol*s)'), n=2.51123, w0=(301,'kJ/mol'), E0=(75.9556,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2601005820414464, var=0.41571497656579814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.946091291022409"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.946091291022409""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.946091291022409 +""", +) + +entry( + index = 1775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000313,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.2523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000266,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.5097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000352,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.6886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000298,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.17599e-05,'m^3/(mol*s)'), n=2.50824, w0=(301,'kJ/mol'), E0=(74.2824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2587442371597289, var=0.4396847891437145, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.9794255511641856"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9794255511641856""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9794255511641856 +""", +) + +entry( + index = 1780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000148,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.5186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000125,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.8293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000166,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.7899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000141,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.9642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.40055e-06,'m^3/(mol*s)'), n=3.19444, w0=(301,'kJ/mol'), E0=(64.6989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27662523085649465, var=0.0751829274900868, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2447267107444813"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2447267107444813""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2447267107444813 +""", +) + +entry( + index = 1785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R", + kinetics = ArrheniusBM(A=(0.00153183,'m^3/(mol*s)'), n=2.40983, w0=(301,'kJ/mol'), E0=(82.1076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27851899216477954, var=0.10992088961707697, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R + Total Standard Deviation in ln(k): 1.36445273379975"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.36445273379975""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R +Total Standard Deviation in ln(k): 1.36445273379975 +""", +) + +entry( + index = 1786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000472778,'m^3/(mol*s)'), n=2.54902, w0=(301,'kJ/mol'), E0=(81.7587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3438549938959708, var=0.3115465166657698, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.9829272614470501"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9829272614470501""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.9829272614470501 +""", +) + +entry( + index = 1787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.7751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00133,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.5411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.6928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.3897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-12R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000185673,'m^3/(mol*s)'), n=2.53607, w0=(301,'kJ/mol'), E0=(66.6987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26829957891762785, var=0.09810711484148524, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.3020437746426081"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3020437746426081""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3020437746426081 +""", +) + +entry( + index = 1792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000542701,'m^3/(mol*s)'), n=2.41297, w0=(301,'kJ/mol'), E0=(66.2666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17998229685727088, var=0.0003041885875647371, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.4871814168838592"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.4871814168838592""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.4871814168838592 +""", +) + +entry( + index = 1793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000514,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000601,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.1593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000459928,'m^3/(mol*s)'), n=2.41284, w0=(301,'kJ/mol'), E0=(69.4069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3388948571479701, var=0.0003927242406762039, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.8912229948073002"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8912229948073002""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.8912229948073002 +""", +) + +entry( + index = 1796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000435,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000509,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.2935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000620489,'m^3/(mol*s)'), n=2.41063, w0=(301,'kJ/mol'), E0=(66.6402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04551287164874561, var=0.003741628214614624, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.23698128817538974"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.23698128817538974""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.23698128817538974 +""", +) + +entry( + index = 1799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000577,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000674,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000527016,'m^3/(mol*s)'), n=2.41044, w0=(301,'kJ/mol'), E0=(69.6546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19298249194451042, var=0.004028037409228369, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.6121147959893773"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.6121147959893773""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.6121147959893773 +""", +) + +entry( + index = 1802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000489,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.9322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000572,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.3868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000174401,'m^3/(mol*s)'), n=2.53458, w0=(301,'kJ/mol'), E0=(68.3477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1856180210073164, var=0.1548180997969412, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.2551786696416036"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.2551786696416036""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.2551786696416036 +""", +) + +entry( + index = 1805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00016063,'m^3/(mol*s)'), n=2.52873, w0=(301,'kJ/mol'), E0=(68.8274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20716751186460725, var=0.39412088177743526, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.779074975119386"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.779074975119386""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.779074975119386 +""", +) + +entry( + index = 1806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000453,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.3524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000384,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.4952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000202377,'m^3/(mol*s)'), n=2.53215, w0=(301,'kJ/mol'), E0=(67.9439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14834791164165478, var=0.4023349602611911, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.6443344885187767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.6443344885187767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.6443344885187767 +""", +) + +entry( + index = 1809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000587,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000497,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.6641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_Ext-1R!H-R_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(3.18088e-06,'m^3/(mol*s)'), n=3.21235, w0=(259,'kJ/mol'), E0=(59.7235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000196583,'m^3/(mol*s)'), n=2.53404, w0=(301,'kJ/mol'), E0=(68.3533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10769220245193988, var=0.11700791227097615, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.9563315100787737"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.9563315100787737""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.9563315100787737 +""", +) + +entry( + index = 1813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000152454,'m^3/(mol*s)'), n=2.54954, w0=(301,'kJ/mol'), E0=(68.2357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12749711710338382, var=0.36256873033402026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.527469287042529"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.527469287042529""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.527469287042529 +""", +) + +entry( + index = 1814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000508,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.0451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000431,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.0775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000194987,'m^3/(mol*s)'), n=2.55118, w0=(301,'kJ/mol'), E0=(68.1623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07224593961542583, var=0.3505906547735446, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H + Total Standard Deviation in ln(k): 1.3685400581856035"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.3685400581856035""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H +Total Standard Deviation in ln(k): 1.3685400581856035 +""", +) + +entry( + index = 1817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000659,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000558,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.9923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-9R!H-R_Ext-8R!H-R_N-1R!H-inRing_N-Sp-11R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(9.87372e-08,'m^3/(mol*s)'), n=3.51042, w0=(295,'kJ/mol'), E0=(62.6878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29578409979421055, var=0.316436700833202, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.8708938728457576"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8708938728457576""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8708938728457576 +""", +) + +entry( + index = 1820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000269928,'m^3/(mol*s)'), n=2.46392, w0=(301,'kJ/mol'), E0=(61.2693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1871903645719127, var=0.20703502162672077, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.3825040868223963"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.3825040868223963""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.3825040868223963 +""", +) + +entry( + index = 1821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000307355,'m^3/(mol*s)'), n=2.46203, w0=(301,'kJ/mol'), E0=(60.3503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12531957995864412, var=0.5222863554479893, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.7636829648497447"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.7636829648497447""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.7636829648497447 +""", +) + +entry( + index = 1822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000507,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.9415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00043,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.6705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000403,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.7914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000342,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.5624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(4.54333e-08,'m^3/(mol*s)'), n=3.61441, w0=(287,'kJ/mol'), E0=(63.0437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9916067500221611, var=0.7174230977541559, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 4.189501540501667"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 4.189501540501667""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 4.189501540501667 +""", +) + +entry( + index = 1827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.88018e-08,'m^3/(mol*s)'), n=3.63667, w0=(280,'kJ/mol'), E0=(62.8441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.735221872346903, var=0.2373731231598434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 2.8240171652857926"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.8240171652857926""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 2.8240171652857926 +""", +) + +entry( + index = 1828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(2.89968e-08,'m^3/(mol*s)'), n=3.67504, w0=(259,'kJ/mol'), E0=(62.6144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000434,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000367,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.7658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-1R!H-R_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H", + kinetics = ArrheniusBM(A=(0.000236658,'m^3/(mol*s)'), n=2.48954, w0=(301,'kJ/mol'), E0=(70.1753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023486033344208037, var=0.4683265895067569, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H + Total Standard Deviation in ln(k): 1.4309383788547128"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 1.4309383788547128""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 1.4309383788547128 +""", +) + +entry( + index = 1832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000487,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000413,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.6326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-8R!H=2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H", + kinetics = ArrheniusBM(A=(5.10824e-06,'m^3/(mol*s)'), n=3.09052, w0=(287,'kJ/mol'), E0=(60.6638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42895977529597257, var=0.6366742158348829, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H + Total Standard Deviation in ln(k): 2.6774039417468134"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 2.6774039417468134""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H +Total Standard Deviation in ln(k): 2.6774039417468134 +""", +) + +entry( + index = 1835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(6.57382e-06,'m^3/(mol*s)'), n=3.00845, w0=(292.6,'kJ/mol'), E0=(60.4953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5982897779526487, var=0.5158269699018, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 2.9430633342332193"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 2.9430633342332193""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 2.9430633342332193 +""", +) + +entry( + index = 1836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.25369e-06,'m^3/(mol*s)'), n=3.01958, w0=(287,'kJ/mol'), E0=(60.4514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41101691158346915, var=0.12913739700679447, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.753121233769478"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.753121233769478""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.753121233769478 +""", +) + +entry( + index = 1837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(4.9843e-06,'m^3/(mol*s)'), n=3.05153, w0=(259,'kJ/mol'), E0=(60.3894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000266524,'m^3/(mol*s)'), n=2.49429, w0=(301,'kJ/mol'), E0=(61.5343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030473528717488964, var=0.4778702191598095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.4624030815046016"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.4624030815046016""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.4624030815046016 +""", +) + +entry( + index = 1839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00057,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.5113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000483,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.0526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_Ext-2R!H-R_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000453,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.1084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000384,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.5942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(3.8336e-06,'m^3/(mol*s)'), n=3.1834, w0=(259,'kJ/mol'), E0=(60.845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-8R!H=2R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000225519,'m^3/(mol*s)'), n=2.47151, w0=(301,'kJ/mol'), E0=(67.3051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23812567428818174, var=0.5175237353880804, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.0404945385072715"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0404945385072715""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.0404945385072715 +""", +) + +entry( + index = 1845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000402,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.0144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00034,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.6784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000451,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(3.84587e-10,'m^3/(mol*s)'), n=4.36181, w0=(299.592,'kJ/mol'), E0=(52.577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3793625339528701, var=1.0223979074626561, Tref=1000.0, N=278, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 278 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 2.980233883592973"""), + rank = 11, + shortDesc = """BM rule fitted to 278 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.980233883592973""", + longDesc = +""" +BM rule fitted to 278 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.980233883592973 +""", +) + +entry( + index = 1850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.22553e-05,'m^3/(mol*s)'), n=2.98137, w0=(301,'kJ/mol'), E0=(61.4692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36927027328493084, var=0.8103846939534578, Tref=1000.0, N=132, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.7325047254945414"""), + rank = 11, + shortDesc = """BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.7325047254945414""", + longDesc = +""" +BM rule fitted to 132 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.7325047254945414 +""", +) + +entry( + index = 1851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(9.56198e-06,'m^3/(mol*s)'), n=3.05427, w0=(301,'kJ/mol'), E0=(65.0938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4466375741582623, var=0.869492900554384, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.991552322725171"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.991552322725171""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.991552322725171 +""", +) + +entry( + index = 1852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.01202e-05,'m^3/(mol*s)'), n=3.04899, w0=(301,'kJ/mol'), E0=(65.492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.442408250321803, var=0.9375468522600388, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.052703413235304"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.052703413235304""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.052703413235304 +""", +) + +entry( + index = 1853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000611222,'m^3/(mol*s)'), n=2.54154, w0=(301,'kJ/mol'), E0=(72.2196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4029694327599456, var=0.878102617867186, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.891065713434414"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.891065713434414""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.891065713434414 +""", +) + +entry( + index = 1854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.000605851,'m^3/(mol*s)'), n=2.44259, w0=(301,'kJ/mol'), E0=(76.0881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42200544544000257, var=0.31201358865428647, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 2.1801236482682036"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.1801236482682036""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 2.1801236482682036 +""", +) + +entry( + index = 1855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000753642,'m^3/(mol*s)'), n=2.46224, w0=(301,'kJ/mol'), E0=(76.8254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4228592410251488, var=0.22964236911637737, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.023149804355757"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.023149804355757""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.023149804355757 +""", +) + +entry( + index = 1856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00153888,'m^3/(mol*s)'), n=2.38369, w0=(301,'kJ/mol'), E0=(76.7756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4081621051809147, var=0.05975334798131378, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.5155803523988547"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5155803523988547""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5155803523988547 +""", +) + +entry( + index = 1857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.5881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000952,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.9995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.0683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000742982,'m^3/(mol*s)'), n=2.38066, w0=(301,'kJ/mol'), E0=(74.5167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4105446254914921, var=0.1154432256311857, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.7126667362705037"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7126667362705037""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7126667362705037 +""", +) + +entry( + index = 1861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00095,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.4116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000449,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.1416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000474,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.2328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(1.37166e-06,'m^3/(mol*s)'), n=3.34051, w0=(301,'kJ/mol'), E0=(63.6187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4518277925683002, var=0.3410453117349897, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 2.3059926498711234"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.3059926498711234""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 2.3059926498711234 +""", +) + +entry( + index = 1865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.835e-07,'m^3/(mol*s)'), n=3.52005, w0=(301,'kJ/mol'), E0=(62.8078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4996510475284947, var=0.22483881688649554, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.2059933151410034"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2059933151410034""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2059933151410034 +""", +) + +entry( + index = 1866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.00148738,'m^3/(mol*s)'), n=2.57784, w0=(301,'kJ/mol'), E0=(82.1299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49697040819366295, var=0.40224053397250453, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.520121181093417"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.520121181093417""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.520121181093417 +""", +) + +entry( + index = 1867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00587758,'m^3/(mol*s)'), n=2.41717, w0=(301,'kJ/mol'), E0=(82.8654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48118021194244964, var=0.37068139029792796, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.429550582967343"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.429550582967343""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.429550582967343 +""", +) + +entry( + index = 1868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.2925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00476,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00502,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.5246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.002918,'m^3/(mol*s)'), n=2.37518, w0=(301,'kJ/mol'), E0=(67.9582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37626677428672023, var=0.045988499241719334, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.3753079251187141"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3753079251187141""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3753079251187141 +""", +) + +entry( + index = 1872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00336002,'m^3/(mol*s)'), n=2.41751, w0=(301,'kJ/mol'), E0=(70.3866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2910605688043119, var=0.005605170556867979, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.8813978401139917"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8813978401139917""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.8813978401139917 +""", +) + +entry( + index = 1873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.0033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.3893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00386,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.5235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00167571,'m^3/(mol*s)'), n=2.41069, w0=(301,'kJ/mol'), E0=(66.3281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25737721708184425, var=0.004576166646459628, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 0.78229148004327"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.78229148004327""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 0.78229148004327 +""", +) + +entry( + index = 1876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00156,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00182,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.0597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0017454,'m^3/(mol*s)'), n=2.41276, w0=(301,'kJ/mol'), E0=(66.1581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5870710181130976, var=0.00014643429853546848, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.4993121165801349"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.4993121165801349""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.4993121165801349 +""", +) + +entry( + index = 1879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.3072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00193,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.0605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00147,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.4031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.4753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(1.10637e-09,'m^3/(mol*s)'), n=4.17923, w0=(301,'kJ/mol'), E0=(55.7428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2270394299401256, var=1.4348684247377939, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 2.971842659214151"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.971842659214151""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.971842659214151 +""", +) + +entry( + index = 1884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00196922,'m^3/(mol*s)'), n=2.39876, w0=(301,'kJ/mol'), E0=(68.8447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3219955329700559, var=0.25862125634126965, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.828538387204534"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.828538387204534""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.828538387204534 +""", +) + +entry( + index = 1885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00291,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.4473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00138,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.2402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000610644,'m^3/(mol*s)'), n=2.56637, w0=(301,'kJ/mol'), E0=(68.2014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3082860768956893, var=0.3966677977891738, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 2.037201730057626"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.037201730057626""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 2.037201730057626 +""", +) + +entry( + index = 1889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00321671,'m^3/(mol*s)'), n=2.36976, w0=(301,'kJ/mol'), E0=(68.7982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2861264303227542, var=0.12262860987626899, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.4209361361734083"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.4209361361734083""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.4209361361734083 +""", +) + +entry( + index = 1890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.5418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00188,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00056891,'m^3/(mol*s)'), n=2.55713, w0=(301,'kJ/mol'), E0=(60.2653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34438462145760473, var=0.7168745886106924, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.562666046402198"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.562666046402198""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.562666046402198 +""", +) + +entry( + index = 1894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00206185,'m^3/(mol*s)'), n=2.40715, w0=(301,'kJ/mol'), E0=(59.4468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2932858695072789, var=0.05217090346199568, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.194799722828515"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.194799722828515""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.194799722828515 +""", +) + +entry( + index = 1895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00326,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00154,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.5898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.8201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000107906,'m^3/(mol*s)'), n=2.73511, w0=(301,'kJ/mol'), E0=(63.9863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48653125192896507, var=1.7611298474335066, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 3.8828754877027767"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 3.8828754877027767""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 3.8828754877027767 +""", +) + +entry( + index = 1899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.39125e-05,'m^3/(mol*s)'), n=2.8572, w0=(301,'kJ/mol'), E0=(62.3465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4532619131935079, var=3.121134780993789, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.680561094595759"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.680561094595759""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.680561094595759 +""", +) + +entry( + index = 1900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00259,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.7589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.3147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000872925,'m^3/(mol*s)'), n=2.4844, w0=(301,'kJ/mol'), E0=(70.1602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3788261135979062, var=0.5557150072358215, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 2.4462801273092163"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 2.4462801273092163""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 2.4462801273092163 +""", +) + +entry( + index = 1904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00169808,'m^3/(mol*s)'), n=2.41185, w0=(301,'kJ/mol'), E0=(69.4926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34853317389797867, var=0.3868391901409948, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.1225844961188827"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1225844961188827""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.1225844961188827 +""", +) + +entry( + index = 1905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.7886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00132,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.4388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00139,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.2982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00121279,'m^3/(mol*s)'), n=2.44412, w0=(301,'kJ/mol'), E0=(66.3766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3864023752313996, var=0.465412252546496, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.3385131547905247"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3385131547905247""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.3385131547905247 +""", +) + +entry( + index = 1909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00258,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.6307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.6162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.7771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.28679e-06,'m^3/(mol*s)'), n=3.04342, w0=(301,'kJ/mol'), E0=(58.6793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3381924080087136, var=0.8036422548627745, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.6468964026918806"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.6468964026918806""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.6468964026918806 +""", +) + +entry( + index = 1913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.24981e-06,'m^3/(mol*s)'), n=3.04594, w0=(301,'kJ/mol'), E0=(58.8879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33505747310058487, var=0.866678932350608, Tref=1000.0, N=80, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7081729437533455"""), + rank = 11, + shortDesc = """BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7081729437533455""", + longDesc = +""" +BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7081729437533455 +""", +) + +entry( + index = 1914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000961126,'m^3/(mol*s)'), n=2.42214, w0=(301,'kJ/mol'), E0=(66.3991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2889217740749097, var=0.8723224585892544, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.598320671059241"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.598320671059241""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.598320671059241 +""", +) + +entry( + index = 1915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing", + kinetics = ArrheniusBM(A=(0.000144798,'m^3/(mol*s)'), n=2.55765, w0=(301,'kJ/mol'), E0=(68.6516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3267606329241645, var=0.29389481403076256, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing + Total Standard Deviation in ln(k): 1.9078149261243391"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.9078149261243391""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing +Total Standard Deviation in ln(k): 1.9078149261243391 +""", +) + +entry( + index = 1916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000152926,'m^3/(mol*s)'), n=2.59767, w0=(301,'kJ/mol'), E0=(69.0986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3296723233612158, var=0.19176285866292006, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.706210671974411"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.706210671974411""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.706210671974411 +""", +) + +entry( + index = 1917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00043944,'m^3/(mol*s)'), n=2.47658, w0=(301,'kJ/mol'), E0=(69.5251,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3114014939227927, var=0.1107879146008352, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.4496882468258987"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.4496882468258987""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.4496882468258987 +""", +) + +entry( + index = 1918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000463556,'m^3/(mol*s)'), n=2.52999, w0=(301,'kJ/mol'), E0=(71.9239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2816069248737814, var=0.3820814450022707, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.946736707681902"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.946736707681902""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.946736707681902 +""", +) + +entry( + index = 1919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00132,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.4981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.5861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000220008,'m^3/(mol*s)'), n=2.52923, w0=(301,'kJ/mol'), E0=(67.6547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17104145919326824, var=0.407417190490702, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.7093595780193533"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.7093595780193533""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.7093595780193533 +""", +) + +entry( + index = 1922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000623,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.1475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000528,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.3565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000225748,'m^3/(mol*s)'), n=2.53286, w0=(301,'kJ/mol'), E0=(67.5483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.46981719445207565, var=0.41004801569616334, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 2.4641771518158047"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 2.4641771518158047""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 2.4641771518158047 +""", +) + +entry( + index = 1925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000658,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.0939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000558,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.2742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000586,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000497,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.4887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000212073,'m^3/(mol*s)'), n=2.47363, w0=(301,'kJ/mol'), E0=(67.4933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3128262798365021, var=0.14241373841220029, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.5425374858111824"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5425374858111824""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5425374858111824 +""", +) + +entry( + index = 1930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00022592,'m^3/(mol*s)'), n=2.52571, w0=(301,'kJ/mol'), E0=(69.0739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.284892414476658, var=0.40280322672036095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9881509041450411"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9881509041450411""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9881509041450411 +""", +) + +entry( + index = 1931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000622,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000527,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.7213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000107571,'m^3/(mol*s)'), n=2.52477, w0=(301,'kJ/mol'), E0=(66.035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16823916508478337, var=0.42209001449452, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.7251568766664116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.7251568766664116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.7251568766664116 +""", +) + +entry( + index = 1934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000249,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.7158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000110262,'m^3/(mol*s)'), n=2.5284, w0=(301,'kJ/mol'), E0=(65.9536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47472401012115545, var=0.4226604686949984, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 2.49609913099198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 2.49609913099198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 2.49609913099198 +""", +) + +entry( + index = 1937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00031,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000263,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.6571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000276,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.0532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000234,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.1958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_9R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing", + kinetics = ArrheniusBM(A=(8.55877e-07,'m^3/(mol*s)'), n=3.33612, w0=(301,'kJ/mol'), E0=(56.026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34253545017325476, var=0.28850295252504876, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing + Total Standard Deviation in ln(k): 1.9374345787530276"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.9374345787530276""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing +Total Standard Deviation in ln(k): 1.9374345787530276 +""", +) + +entry( + index = 1942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.76566e-07,'m^3/(mol*s)'), n=3.35406, w0=(301,'kJ/mol'), E0=(56.4398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37291286138426366, var=0.16265574913728142, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.74548872199423"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.74548872199423""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.74548872199423 +""", +) + +entry( + index = 1943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.000133109,'m^3/(mol*s)'), n=2.81507, w0=(301,'kJ/mol'), E0=(71.0885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3955139047763158, var=0.2713034719824357, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 2.0379558771066892"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.0379558771066892""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 2.0379558771066892 +""", +) + +entry( + index = 1944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000915988,'m^3/(mol*s)'), n=2.58532, w0=(301,'kJ/mol'), E0=(72.7493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3771606183660788, var=0.24028983834238613, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.9303481982624537"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.9303481982624537""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.9303481982624537 +""", +) + +entry( + index = 1945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00161873,'m^3/(mol*s)'), n=2.57434, w0=(301,'kJ/mol'), E0=(73.2786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3629664089879636, var=0.30271700819484293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.014975618132976"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.014975618132976""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.014975618132976 +""", +) + +entry( + index = 1946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00659,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.6156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00558,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.3404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000776812,'m^3/(mol*s)'), n=2.57242, w0=(301,'kJ/mol'), E0=(72.9537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2529151093672598, var=0.2863074720963187, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 1.7081528726048723"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 1.7081528726048723""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 1.7081528726048723 +""", +) + +entry( + index = 1949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00311,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.2986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00264,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.9708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000783226,'m^3/(mol*s)'), n=2.57833, w0=(301,'kJ/mol'), E0=(72.3312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49074289781435115, var=0.30003828149683665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H + Total Standard Deviation in ln(k): 2.3311310353968153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 2.3311310353968153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H +Total Standard Deviation in ln(k): 2.3311310353968153 +""", +) + +entry( + index = 1952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00329,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.7363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.4371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-7R!H-R_N-Sp-13R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00293,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.2731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00248,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000714148,'m^3/(mol*s)'), n=2.48725, w0=(301,'kJ/mol'), E0=(60.2695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2805383079088458, var=0.08462773365033308, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.2880645197900678"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.2880645197900678""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.2880645197900678 +""", +) + +entry( + index = 1957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000583552,'m^3/(mol*s)'), n=2.57232, w0=(301,'kJ/mol'), E0=(62.1127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2096552902006514, var=0.09882759707933747, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1569977831304186"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1569977831304186""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1569977831304186 +""", +) + +entry( + index = 1958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00215805,'m^3/(mol*s)'), n=2.41995, w0=(301,'kJ/mol'), E0=(62.034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1236052518178232, var=0.005103388239579981, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.4537802293506451"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.4537802293506451""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.4537802293506451 +""", +) + +entry( + index = 1959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00216,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.072,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.1874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.001828,'m^3/(mol*s)'), n=2.41987, w0=(301,'kJ/mol'), E0=(65.0804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2728642796985545, var=0.004921311783343793, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.826224941622867"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.826224941622867""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.826224941622867 +""", +) + +entry( + index = 1962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00183,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.1265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.2266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000304652,'m^3/(mol*s)'), n=2.55976, w0=(301,'kJ/mol'), E0=(58.4131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.177307490316397, var=0.09484020336361454, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.0628771610783865"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.0628771610783865""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.0628771610783865 +""", +) + +entry( + index = 1965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00109573,'m^3/(mol*s)'), n=2.41068, w0=(301,'kJ/mol'), E0=(58.2697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08892396208316242, var=0.00484110579476529, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.36291260870910325"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.36291260870910325""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.36291260870910325 +""", +) + +entry( + index = 1966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.5615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000930827,'m^3/(mol*s)'), n=2.41059, w0=(301,'kJ/mol'), E0=(61.3447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.243821228409191, var=0.004830747838569786, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.7519524195796927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7519524195796927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.7519524195796927 +""", +) + +entry( + index = 1969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000866,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.6375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.0643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000298151,'m^3/(mol*s)'), n=2.56951, w0=(301,'kJ/mol'), E0=(58.0855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4681605325855788, var=0.0970951823502538, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.80096019730428"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.80096019730428""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.80096019730428 +""", +) + +entry( + index = 1972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00113306,'m^3/(mol*s)'), n=2.41362, w0=(301,'kJ/mol'), E0=(58.0057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3844168505974951, var=0.0002511864136021967, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.9976442526734208"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.9976442526734208""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.9976442526734208 +""", +) + +entry( + index = 1973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.1832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.8982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000963884,'m^3/(mol*s)'), n=2.41326, w0=(301,'kJ/mol'), E0=(61.0994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5336309718712762, var=0.0004186107890779795, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.3817981763151115"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.3817981763151115""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.3817981763151115 +""", +) + +entry( + index = 1976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000915,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.2786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.9843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000967647,'m^3/(mol*s)'), n=2.41867, w0=(301,'kJ/mol'), E0=(61.9877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.263454889272799, var=0.0010602515555219562, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.7272241476067816"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.7272241476067816""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.7272241476067816 +""", +) + +entry( + index = 1979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000961,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.0629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.08,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000825388,'m^3/(mol*s)'), n=2.41801, w0=(301,'kJ/mol'), E0=(65.0204,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4097788141969632, var=0.0006612833860183048, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.0811476368868556"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0811476368868556""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.0811476368868556 +""", +) + +entry( + index = 1982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000814,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.0969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(0.000952,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(1.09473e-17,'m^3/(mol*s)'), n=6.40967, w0=(301,'kJ/mol'), E0=(14.5296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25608241691286837, var=0.4190268172674812, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 1.9411338969093832"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.9411338969093832""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.9411338969093832 +""", +) + +entry( + index = 1985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000392045,'m^3/(mol*s)'), n=2.5365, w0=(301,'kJ/mol'), E0=(61.0062,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2350840640661019, var=0.20245430881704335, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.492692480286198"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.492692480286198""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.492692480286198 +""", +) + +entry( + index = 1986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000543076,'m^3/(mol*s)'), n=2.55586, w0=(301,'kJ/mol'), E0=(61.5372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16073929278023874, var=0.3941299514683648, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.6624356394480801"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6624356394480801""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6624356394480801 +""", +) + +entry( + index = 1987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00191,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.3466,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.4576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00026173,'m^3/(mol*s)'), n=2.55341, w0=(301,'kJ/mol'), E0=(60.6809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11196772111160648, var=0.3757637176554025, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.5102198972502852"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.5102198972502852""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.5102198972502852 +""", +) + +entry( + index = 1990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0009,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.4822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000763,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.5587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000263384,'m^3/(mol*s)'), n=2.55947, w0=(301,'kJ/mol'), E0=(60.2498,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4082088211863997, var=0.39121485394542227, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 2.279555371723651"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 2.279555371723651""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 2.279555371723651 +""", +) + +entry( + index = 1993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000951,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000806,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.2008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000847,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.0124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000717,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.8981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 1997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H", + kinetics = ArrheniusBM(A=(5.84839e-05,'m^3/(mol*s)'), n=2.79524, w0=(301,'kJ/mol'), E0=(59.2656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23275750154339284, var=0.27461230016679344, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H + Total Standard Deviation in ln(k): 1.635368460472502"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.635368460472502""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H +Total Standard Deviation in ln(k): 1.635368460472502 +""", +) + +entry( + index = 1998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000773868,'m^3/(mol*s)'), n=2.48407, w0=(301,'kJ/mol'), E0=(61.123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20043012849566147, var=0.1400595145408727, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.2538558877027042"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.2538558877027042""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.2538558877027042 +""", +) + +entry( + index = 1999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000698399,'m^3/(mol*s)'), n=2.55679, w0=(301,'kJ/mol'), E0=(62.4353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17477524626371008, var=0.3693150520415365, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.657437289452927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.657437289452927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.657437289452927 +""", +) + +entry( + index = 2000, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00247,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.3079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00209,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.3317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00124061,'m^3/(mol*s)'), n=2.40582, w0=(301,'kJ/mol'), E0=(59.3329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1285038200619819, var=0.0793228299438664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.8874937008674586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8874937008674586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8874937008674586 +""", +) + +entry( + index = 2003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.3176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00123,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.2711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00105615,'m^3/(mol*s)'), n=2.40495, w0=(301,'kJ/mol'), E0=(62.4261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28209561633148805, var=0.0841718757089901, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.2904045090533316"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.2904045090533316""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.2904045090533316 +""", +) + +entry( + index = 2006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000989,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.4404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00104,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.3175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_Ext-7R!H-R_N-4R!H-inRing_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00093,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.6551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-9R!H-R_N-9R!H-inRing_N-Sp-10R!H=9R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.77042e-05,'m^3/(mol*s)'), n=2.83185, w0=(301,'kJ/mol'), E0=(52.7786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26366970542085477, var=0.4596676831415243, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.021672956155959"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.021672956155959""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.021672956155959 +""", +) + +entry( + index = 2011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000788873,'m^3/(mol*s)'), n=2.46374, w0=(301,'kJ/mol'), E0=(54.0516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19513612333250124, var=0.12352063796636445, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.194865993518478"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.194865993518478""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.194865993518478 +""", +) + +entry( + index = 2012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0010424,'m^3/(mol*s)'), n=2.48879, w0=(301,'kJ/mol'), E0=(57.0759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16220850403290107, var=0.496212316918471, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.8197413410882988"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8197413410882988""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.8197413410882988 +""", +) + +entry( + index = 2013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00213,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.9625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.5801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000576281,'m^3/(mol*s)'), n=2.46945, w0=(301,'kJ/mol'), E0=(52.3153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023465451133148168, var=0.524121352668212, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.5103109555526195"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.5103109555526195""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.5103109555526195 +""", +) + +entry( + index = 2016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.9691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000855,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.7029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000570628,'m^3/(mol*s)'), n=2.47767, w0=(301,'kJ/mol'), E0=(52.4017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3884081902746532, var=0.5434953475830945, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 2.4538335147181383"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 2.4538335147181383""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 2.4538335147181383 +""", +) + +entry( + index = 2019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.1296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000903,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.8611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000949,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.7066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000804,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(1.47874e-06,'m^3/(mol*s)'), n=3.20627, w0=(301,'kJ/mol'), E0=(54.4617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41571441764757244, var=1.0415323724153396, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 3.0904508607712278"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 3.0904508607712278""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 3.0904508607712278 +""", +) + +entry( + index = 2024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.40171e-07,'m^3/(mol*s)'), n=3.50971, w0=(301,'kJ/mol'), E0=(51.2409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40592697497593144, var=1.4891824113950678, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.4663365716823438"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.4663365716823438""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.4663365716823438 +""", +) + +entry( + index = 2025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000854059,'m^3/(mol*s)'), n=2.48533, w0=(301,'kJ/mol'), E0=(58.9804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.274185809386728, var=0.4969575121208811, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.102151340989622"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.102151340989622""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.102151340989622 +""", +) + +entry( + index = 2026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.8553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00144,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.4347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000336534,'m^3/(mol*s)'), n=2.50779, w0=(301,'kJ/mol'), E0=(67.6917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16300465058106745, var=0.44545153948808275, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.7475628374158692"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.7475628374158692""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.7475628374158692 +""", +) + +entry( + index = 2029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000802,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.8834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00068,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000466233,'m^3/(mol*s)'), n=2.47401, w0=(301,'kJ/mol'), E0=(54.305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5069309062987455, var=0.5273840425860704, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 2.729558654166417"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.729558654166417""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.729558654166417 +""", +) + +entry( + index = 2032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000847,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.0212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000718,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.7118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000754,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.3603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000639,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000165701,'m^3/(mol*s)'), n=2.62805, w0=(301,'kJ/mol'), E0=(63.6151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.287403689833864, var=0.3920542230867006, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H + Total Standard Deviation in ln(k): 1.9773693251705513"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.9773693251705513""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H +Total Standard Deviation in ln(k): 1.9773693251705513 +""", +) + +entry( + index = 2037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000561759,'m^3/(mol*s)'), n=2.48639, w0=(301,'kJ/mol'), E0=(63.6588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25204950044423546, var=0.2880504980820973, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.7092382567705993"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7092382567705993""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7092382567705993 +""", +) + +entry( + index = 2038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000954331,'m^3/(mol*s)'), n=2.48034, w0=(301,'kJ/mol'), E0=(64.0094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2350774142135536, var=0.4821565956409555, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.982684623809458"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.982684623809458""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.982684623809458 +""", +) + +entry( + index = 2039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00182,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00155,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.4147,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000446167,'m^3/(mol*s)'), n=2.48169, w0=(301,'kJ/mol'), E0=(63.6723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0725820920672324, var=0.4958349099588543, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.5940122134072243"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.5940122134072243""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.5940122134072243 +""", +) + +entry( + index = 2042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000862,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.4991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000731,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.1112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000456591,'m^3/(mol*s)'), n=2.48565, w0=(301,'kJ/mol'), E0=(63.3946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4320930046598725, var=0.5025208377744116, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 2.5067915339707776"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.5067915339707776""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 2.5067915339707776 +""", +) + +entry( + index = 2045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000911,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000772,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000811,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000687,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-9R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000297015,'m^3/(mol*s)'), n=2.55611, w0=(301,'kJ/mol'), E0=(60.2007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28924917845807696, var=0.3077907497217057, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.8389615454350576"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8389615454350576""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8389615454350576 +""", +) + +entry( + index = 2050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00085675,'m^3/(mol*s)'), n=2.48414, w0=(301,'kJ/mol'), E0=(60.8396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30128480115747364, var=0.4982251751939598, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.1720405951179838"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1720405951179838""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1720405951179838 +""", +) + +entry( + index = 2051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00169,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.2802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Ext-8R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000420355,'m^3/(mol*s)'), n=2.47961, w0=(301,'kJ/mol'), E0=(58.9647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13790505991930935, var=0.5115570236345456, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.7803460983407786"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.7803460983407786""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.7803460983407786 +""", +) + +entry( + index = 2054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000799,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000677,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.4096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000392572,'m^3/(mol*s)'), n=2.49485, w0=(301,'kJ/mol'), E0=(62.6532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3961362836469581, var=0.4752861045419452, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 2.377401641970435"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 2.377401641970435""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 2.377401641970435 +""", +) + +entry( + index = 2057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000843,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.6684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000715,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000751,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.0916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000636,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.5768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.12639e-12,'m^3/(mol*s)'), n=4.90246, w0=(301.205,'kJ/mol'), E0=(47.7662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48976546206310556, var=0.8680317375352405, Tref=1000.0, N=110, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 110 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.098342491851929"""), + rank = 11, + shortDesc = """BM rule fitted to 110 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.098342491851929""", + longDesc = +""" +BM rule fitted to 110 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.098342491851929 +""", +) + +entry( + index = 2062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.8776e-12,'m^3/(mol*s)'), n=5.10942, w0=(301.592,'kJ/mol'), E0=(50.9007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7444729295923985, var=0.9545898186390425, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 38 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.829223566374472"""), + rank = 11, + shortDesc = """BM rule fitted to 38 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.829223566374472""", + longDesc = +""" +BM rule fitted to 38 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.829223566374472 +""", +) + +entry( + index = 2063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(3.23758e-13,'m^3/(mol*s)'), n=5.21655, w0=(301.608,'kJ/mol'), E0=(41.2096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5310967300932249, var=1.2868917210605535, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R + Total Standard Deviation in ln(k): 3.6086104264900114"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 3.6086104264900114""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R +Total Standard Deviation in ln(k): 3.6086104264900114 +""", +) + +entry( + index = 2064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C", + kinetics = ArrheniusBM(A=(6.58417e-16,'m^3/(mol*s)'), n=6.03332, w0=(301,'kJ/mol'), E0=(39.2607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44249285849195574, var=0.9862382866145325, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C + Total Standard Deviation in ln(k): 3.1026840966858176"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C +Total Standard Deviation in ln(k): 3.1026840966858176""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C +Total Standard Deviation in ln(k): 3.1026840966858176 +""", +) + +entry( + index = 2065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(2.01682e-12,'m^3/(mol*s)'), n=5.03379, w0=(301,'kJ/mol'), E0=(49.315,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3711668560861374, var=0.9463893276223151, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 2.88283731480193"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.88283731480193""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.88283731480193 +""", +) + +entry( + index = 2066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00125998,'m^3/(mol*s)'), n=2.50687, w0=(301,'kJ/mol'), E0=(73.5084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18704744141275723, var=0.7776286765904287, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.237809125633114"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.237809125633114""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.237809125633114 +""", +) + +entry( + index = 2067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000869476,'m^3/(mol*s)'), n=2.45296, w0=(301,'kJ/mol'), E0=(75.8488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1708282086116845, var=0.3222039660241218, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.5671646398687593"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.5671646398687593""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.5671646398687593 +""", +) + +entry( + index = 2068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00090397,'m^3/(mol*s)'), n=2.49488, w0=(301,'kJ/mol'), E0=(76.2568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17066876556178073, var=0.2633965102638776, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.457689532314461"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.457689532314461""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.457689532314461 +""", +) + +entry( + index = 2069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00151697,'m^3/(mol*s)'), n=2.44394, w0=(301,'kJ/mol'), E0=(75.6208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1034665650564214, var=0.03477495729824843, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6338101382034192"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6338101382034192""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6338101382034192 +""", +) + +entry( + index = 2070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.9597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00209,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.9129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000542807,'m^3/(mol*s)'), n=2.47831, w0=(301,'kJ/mol'), E0=(73.4813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16183219480201932, var=0.11438345441222053, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.0846274486428535"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0846274486428535""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0846274486428535 +""", +) + +entry( + index = 2073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000895,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.6741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000987,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.5427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(3.5787e-07,'m^3/(mol*s)'), n=3.56305, w0=(301,'kJ/mol'), E0=(62.5823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2773770652607086, var=0.31335122401360205, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.8191335600487162"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.8191335600487162""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.8191335600487162 +""", +) + +entry( + index = 2076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(4.26782e-08,'m^3/(mol*s)'), n=3.84861, w0=(301,'kJ/mol'), E0=(61.3619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.343028256234283, var=0.3918952393120059, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 2.1168750053488115"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.1168750053488115""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.1168750053488115 +""", +) + +entry( + index = 2077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.33724e-05,'m^3/(mol*s)'), n=3.15009, w0=(301,'kJ/mol'), E0=(76.3569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37093895852063014, var=0.4515132793968348, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 2.2790839131972516"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.2790839131972516""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 2.2790839131972516 +""", +) + +entry( + index = 2078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(4.94334e-07,'m^3/(mol*s)'), n=3.64344, w0=(301,'kJ/mol'), E0=(70.5833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31852644876470404, var=1.2975952781220446, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.0839523270544844"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0839523270544844""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.0839523270544844 +""", +) + +entry( + index = 2079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00948,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.0078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.9849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.06479e-06,'m^3/(mol*s)'), n=3.18329, w0=(301,'kJ/mol'), E0=(62.3932,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19959561481697716, var=0.2620736183578424, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.5277830804200812"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5277830804200812""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.5277830804200812 +""", +) + +entry( + index = 2082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00313712,'m^3/(mol*s)'), n=2.41871, w0=(301,'kJ/mol'), E0=(65.7272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026205782311937802, var=0.0046454083323643446, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 0.20248086877887783"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.20248086877887783""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.20248086877887783 +""", +) + +entry( + index = 2083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00311,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.7279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00364,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.8894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00216106,'m^3/(mol*s)'), n=2.4772, w0=(301,'kJ/mol'), E0=(72.9767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25635771349528724, var=0.31899832844384524, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.7763879669197644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.7763879669197644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.7763879669197644 +""", +) + +entry( + index = 2086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00343,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.3926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00401,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.8394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00236,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.8863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00276,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.0267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2C-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.11388e-07,'m^3/(mol*s)'), n=3.42873, w0=(301,'kJ/mol'), E0=(60.417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1983704102991088, var=0.450754668170139, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.8443624732737236"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8443624732737236""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8443624732737236 +""", +) + +entry( + index = 2091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00350988,'m^3/(mol*s)'), n=2.3953, w0=(301,'kJ/mol'), E0=(65.6184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.042070863029704426, var=0.029917937614153563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.45246075265182023"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.45246075265182023""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.45246075265182023 +""", +) + +entry( + index = 2092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00274,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0865,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00355,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0018893,'m^3/(mol*s)'), n=2.48459, w0=(301,'kJ/mol'), E0=(73.8711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18993776329182022, var=0.5652230114336688, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.9844167530469687"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.9844167530469687""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.9844167530469687 +""", +) + +entry( + index = 2095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00302,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.7888,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00392,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.3658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.3873,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0027,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.0788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000154451,'m^3/(mol*s)'), n=2.75863, w0=(301,'kJ/mol'), E0=(64.6749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13496689973852583, var=0.48557550321650755, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.7360773263082732"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.7360773263082732""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.7360773263082732 +""", +) + +entry( + index = 2100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.000940036,'m^3/(mol*s)'), n=2.54994, w0=(301,'kJ/mol'), E0=(64.6987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09588044409623395, var=0.6483835796189685, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 1.855163809104082"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.855163809104082""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.855163809104082 +""", +) + +entry( + index = 2101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000538952,'m^3/(mol*s)'), n=2.63266, w0=(301,'kJ/mol'), E0=(63.4731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0029647216071932003, var=2.1446739681405975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.9433245144542917"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.9433245144542917""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.9433245144542917 +""", +) + +entry( + index = 2102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00307,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.6216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.2661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-2C-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.66551e-06,'m^3/(mol*s)'), n=3.12258, w0=(301,'kJ/mol'), E0=(61.8038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08761587275497296, var=1.0362394083418554, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.2608773982296855"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2608773982296855""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2608773982296855 +""", +) + +entry( + index = 2105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00223089,'m^3/(mol*s)'), n=2.42581, w0=(301,'kJ/mol'), E0=(63.5219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04489274205405095, var=0.45412764238922254, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.4637666221728411"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.4637666221728411""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.4637666221728411 +""", +) + +entry( + index = 2106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00244,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.0156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.3056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(3.53947e-05,'m^3/(mol*s)'), n=2.95356, w0=(301,'kJ/mol'), E0=(67.7199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12134417952216209, var=3.709909719425617, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 4.166230350594789"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 4.166230350594789""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 4.166230350594789 +""", +) + +entry( + index = 2109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00269,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.2246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.0029,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.9413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00185,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.1534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2112, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.4198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_Sp-7R!H-1R!H_N-Sp-8R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2113, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0139165,'m^3/(mol*s)'), n=2.35972, w0=(301,'kJ/mol'), E0=(109.233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3241098888159003, var=0.6476120058854715, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 2.4276438588528184"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 2.4276438588528184""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 2.4276438588528184 +""", +) + +entry( + index = 2114, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(107.176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Ext-2C-R_N-Sp-7R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2115, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00136967,'m^3/(mol*s)'), n=2.47409, w0=(301,'kJ/mol'), E0=(65.4694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22680759945288456, var=0.3197552414444963, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.7034839710740712"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.7034839710740712""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.7034839710740712 +""", +) + +entry( + index = 2116, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00175171,'m^3/(mol*s)'), n=2.45682, w0=(301,'kJ/mol'), E0=(64.3769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15550147752106439, var=0.10256170038261775, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.0327287649635026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0327287649635026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0327287649635026 +""", +) + +entry( + index = 2117, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00243,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.0324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2118, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.5508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2119, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(113.075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_2R!H->C_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2120, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C", + kinetics = ArrheniusBM(A=(0.000288,'m^3/(mol*s)'), n=2.55, w0=(323.5,'kJ/mol'), E0=(53.6905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-6R!H-3R_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2121, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.000128,'m^3/(mol*s)'), n=3.05, w0=(301,'kJ/mol'), E0=(101.81,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2122, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.12602e-13,'m^3/(mol*s)'), n=5.11975, w0=(301,'kJ/mol'), E0=(39.2068,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3024635744732148, var=0.821732558629044, Tref=1000.0, N=72, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 72 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.577240361169745"""), + rank = 11, + shortDesc = """BM rule fitted to 72 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.577240361169745""", + longDesc = +""" +BM rule fitted to 72 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.577240361169745 +""", +) + +entry( + index = 2123, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.33685e-10,'m^3/(mol*s)'), n=4.44577, w0=(301,'kJ/mol'), E0=(46.1245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2481078891602465, var=0.8180463403547703, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.4365876251135212"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4365876251135212""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4365876251135212 +""", +) + +entry( + index = 2124, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00518302,'m^3/(mol*s)'), n=2.26788, w0=(301,'kJ/mol'), E0=(68.1713,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08793598654887322, var=0.7774941143394188, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.9886324079265056"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9886324079265056""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.9886324079265056 +""", +) + +entry( + index = 2125, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000175218,'m^3/(mol*s)'), n=2.58924, w0=(301,'kJ/mol'), E0=(67.6635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10504872691540289, var=0.2791666232492053, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.3231677776314013"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.3231677776314013""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.3231677776314013 +""", +) + +entry( + index = 2126, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000137799,'m^3/(mol*s)'), n=2.66583, w0=(301,'kJ/mol'), E0=(67.6266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10938170272618505, var=0.17290950176919068, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1084451233092412"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1084451233092412""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1084451233092412 +""", +) + +entry( + index = 2127, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000303969,'m^3/(mol*s)'), n=2.5808, w0=(301,'kJ/mol'), E0=(67.369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04634815550779175, var=0.09065939678246672, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.7200723475676954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7200723475676954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.7200723475676954 +""", +) + +entry( + index = 2128, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00038158,'m^3/(mol*s)'), n=2.5463, w0=(301,'kJ/mol'), E0=(66.9416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03536118984419478, var=0.3633195107182238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.2972211481734488"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.2972211481734488""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.2972211481734488 +""", +) + +entry( + index = 2129, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.7122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2130, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.7396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2131, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000384778,'m^3/(mol*s)'), n=2.55766, w0=(301,'kJ/mol'), E0=(68.36,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03218533054905209, var=0.34693439793271624, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.2616794258299502"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.2616794258299502""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.2616794258299502 +""", +) + +entry( + index = 2132, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00137,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.2995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2133, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.2668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2134, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000943,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7015,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2135, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000799,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2136, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.89368e-05,'m^3/(mol*s)'), n=2.6271, w0=(301,'kJ/mol'), E0=(65.3235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09952567640841875, var=0.10851892911913587, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.9104685805717129"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9104685805717129""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9104685805717129 +""", +) + +entry( + index = 2137, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000185771,'m^3/(mol*s)'), n=2.54257, w0=(301,'kJ/mol'), E0=(64.9393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08649912271047838, var=0.380692938421804, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.4542624201996983"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.4542624201996983""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.4542624201996983 +""", +) + +entry( + index = 2138, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000586,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.6288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2139, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000496,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.7195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2140, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000186501,'m^3/(mol*s)'), n=2.55435, w0=(301,'kJ/mol'), E0=(67.2138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07995123966729434, var=0.35583366993229026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.3967429792259747"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.3967429792259747""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.3967429792259747 +""", +) + +entry( + index = 2141, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000646,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.0866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2142, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000548,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.0968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2143, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000445,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.7863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2144, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000377,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.8304,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2145, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(1.15703e-06,'m^3/(mol*s)'), n=3.35405, w0=(301,'kJ/mol'), E0=(55.8859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18179734617594898, var=0.26715187769392423, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.4929593977731666"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.4929593977731666""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.4929593977731666 +""", +) + +entry( + index = 2146, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.24484e-07,'m^3/(mol*s)'), n=3.49978, w0=(301,'kJ/mol'), E0=(55.5273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22889926072717023, var=0.3013422105752439, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6756159848367316"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6756159848367316""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6756159848367316 +""", +) + +entry( + index = 2147, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.38971e-06,'m^3/(mol*s)'), n=3.43809, w0=(301,'kJ/mol'), E0=(62.7164,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29151885373244496, var=0.19326061375846929, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.6137693678761487"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.6137693678761487""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.6137693678761487 +""", +) + +entry( + index = 2148, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.58603e-08,'m^3/(mol*s)'), n=3.94734, w0=(301,'kJ/mol'), E0=(55.4886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26648539024229356, var=0.19273878446647785, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.549680587280326"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.549680587280326""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.549680587280326 +""", +) + +entry( + index = 2149, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00130593,'m^3/(mol*s)'), n=2.59369, w0=(301,'kJ/mol'), E0=(68.2442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16713450692497092, var=0.2674292027847748, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.4566557737359342"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.4566557737359342""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.4566557737359342 +""", +) + +entry( + index = 2150, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00621,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.9169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2151, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00526,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.5005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2152, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00146225,'m^3/(mol*s)'), n=2.5918, w0=(301,'kJ/mol'), E0=(75.8268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22302401917730508, var=0.2322265709839226, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H + Total Standard Deviation in ln(k): 1.526441529836282"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.526441529836282""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H +Total Standard Deviation in ln(k): 1.526441529836282 +""", +) + +entry( + index = 2153, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00685,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2154, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0058,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Ext-7R!H-R_N-Sp-12R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2155, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00471,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.48,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2156, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00399,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.0529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2157, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.92562e-08,'m^3/(mol*s)'), n=3.71532, w0=(301,'kJ/mol'), E0=(48.716,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17268429348466155, var=0.11765778210324132, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.1215299298683605"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1215299298683605""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1215299298683605 +""", +) + +entry( + index = 2158, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000454419,'m^3/(mol*s)'), n=2.59622, w0=(301,'kJ/mol'), E0=(56.9604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.018255940995319717, var=0.08739986852269736, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 0.6385384268419643"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.6385384268419643""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 0.6385384268419643 +""", +) + +entry( + index = 2159, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00200771,'m^3/(mol*s)'), n=2.42158, w0=(301,'kJ/mol'), E0=(57.1807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10665772310141163, var=0.004392957014744956, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 0.4008568390142501"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.4008568390142501""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 0.4008568390142501 +""", +) + +entry( + index = 2160, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00204,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.2443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2161, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00238,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.3429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2162, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00171062,'m^3/(mol*s)'), n=2.42104, w0=(301,'kJ/mol'), E0=(60.1127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.038976273680259334, var=0.004686073564917129, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.23516427851067007"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.23516427851067007""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.23516427851067007 +""", +) + +entry( + index = 2163, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00173,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2164, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00202,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.2641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2165, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000233642,'m^3/(mol*s)'), n=2.69114, w0=(301,'kJ/mol'), E0=(62.6921,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18817411208372575, var=0.15931580624413308, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H + Total Standard Deviation in ln(k): 1.272976936665475"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.272976936665475""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H +Total Standard Deviation in ln(k): 1.272976936665475 +""", +) + +entry( + index = 2166, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00118109,'m^3/(mol*s)'), n=2.4999, w0=(301,'kJ/mol'), E0=(63.3029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10686009107247392, var=0.2505009358725659, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 1.2718639709908655"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.2718639709908655""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 1.2718639709908655 +""", +) + +entry( + index = 2167, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00225,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2168, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.5475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2169, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00100069,'m^3/(mol*s)'), n=2.49974, w0=(301,'kJ/mol'), E0=(66.0061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2335195092510953, var=0.2508579086619611, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.5908183806158351"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.5908183806158351""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.5908183806158351 +""", +) + +entry( + index = 2170, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.5647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2171, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00223,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.2864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-7R!H-R_N-Sp-11R!H=7R!H_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2172, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.40615e-15,'m^3/(mol*s)'), n=5.75985, w0=(301,'kJ/mol'), E0=(22.1859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17945647270397497, var=2.635090494242684, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 3.705174456959328"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.705174456959328""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.705174456959328 +""", +) + +entry( + index = 2173, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00155,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.2754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2174, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2175, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(2.98992e-15,'m^3/(mol*s)'), n=5.75514, w0=(301,'kJ/mol'), E0=(24.1578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30842276688854725, var=2.5734414220317445, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.9909174526092515"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.9909174526092515""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.9909174526092515 +""", +) + +entry( + index = 2176, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.0089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2177, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-4R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2178, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(8.22657e-10,'m^3/(mol*s)'), n=4.23807, w0=(301,'kJ/mol'), E0=(43.6233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19220341924588058, var=0.19129931401605407, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.3597497222726402"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3597497222726402""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.3597497222726402 +""", +) + +entry( + index = 2179, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000611493,'m^3/(mol*s)'), n=2.54974, w0=(301,'kJ/mol'), E0=(57.2792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009747069692161518, var=0.0957131918416356, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.6447060153573543"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.6447060153573543""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.6447060153573543 +""", +) + +entry( + index = 2180, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000435465,'m^3/(mol*s)'), n=2.57572, w0=(301,'kJ/mol'), E0=(56.7059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01863931922234068, var=0.3494149857068287, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.2318581162174518"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.2318581162174518""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.2318581162174518 +""", +) + +entry( + index = 2181, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00179,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.7849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2182, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2183, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000534212,'m^3/(mol*s)'), n=2.58282, w0=(301,'kJ/mol'), E0=(57.2955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05765382524549366, var=0.35244926169335694, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.3350186984094947"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.3350186984094947""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.3350186984094947 +""", +) + +entry( + index = 2184, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00233,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.4524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2185, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00197,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.4508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2186, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000196021,'m^3/(mol*s)'), n=2.70362, w0=(301,'kJ/mol'), E0=(63.6529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13383567422372994, var=0.22258366857759823, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.2820799632612416"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.2820799632612416""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.2820799632612416 +""", +) + +entry( + index = 2187, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000454127,'m^3/(mol*s)'), n=2.583, w0=(301,'kJ/mol'), E0=(66.0329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11245829059075574, var=0.2947169264519458, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.370885833563639"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.370885833563639""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.370885833563639 +""", +) + +entry( + index = 2188, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00198,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.4264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2189, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00168,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.1546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2190, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000546958,'m^3/(mol*s)'), n=2.59201, w0=(301,'kJ/mol'), E0=(63.6374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.114751723954905, var=0.3136504116983969, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.4110627881921862"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.4110627881921862""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.4110627881921862 +""", +) + +entry( + index = 2191, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00257,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.0835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2192, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00217,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.8746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2193, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000327528,'m^3/(mol*s)'), n=2.57671, w0=(301,'kJ/mol'), E0=(63.4263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02702828022879385, var=0.3357686729282425, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.2295650123256785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.2295650123256785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.2295650123256785 +""", +) + +entry( + index = 2194, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.6002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2195, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00115,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.5116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2196, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00042837,'m^3/(mol*s)'), n=2.57624, w0=(301,'kJ/mol'), E0=(64.8592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09817422788998022, var=0.3159545821669178, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.373527241802793"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.373527241802793""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.373527241802793 +""", +) + +entry( + index = 2197, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00177,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2198, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0015,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.9129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2199, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(4.98191e-06,'m^3/(mol*s)'), n=3.12294, w0=(301,'kJ/mol'), E0=(55.5791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08942751006447287, var=0.3884364881979685, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.4741368206471888"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.4741368206471888""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.4741368206471888 +""", +) + +entry( + index = 2200, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.62193e-05,'m^3/(mol*s)'), n=2.78418, w0=(301,'kJ/mol'), E0=(56.7341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.042440966865645066, var=0.35174233324494697, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.295601249842535"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.295601249842535""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.295601249842535 +""", +) + +entry( + index = 2201, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.60406e-05,'m^3/(mol*s)'), n=2.94661, w0=(301,'kJ/mol'), E0=(54.7429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026581866712276404, var=0.6223638134562578, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.6483248791306753"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.6483248791306753""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.6483248791306753 +""", +) + +entry( + index = 2202, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000712179,'m^3/(mol*s)'), n=2.52868, w0=(301,'kJ/mol'), E0=(62.5162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025217043941555214, var=0.4222908852326311, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.3661146905829886"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.3661146905829886""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.3661146905829886 +""", +) + +entry( + index = 2203, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.9533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2204, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.2399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2205, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000801797,'m^3/(mol*s)'), n=2.52638, w0=(301,'kJ/mol'), E0=(54.5859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12234662476105822, var=0.43348781852916024, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 1.6273169810554564"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.6273169810554564""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 1.6273169810554564 +""", +) + +entry( + index = 2206, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00222,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.9515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2207, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00188,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.3113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2208, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.4706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2209, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2210, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.73299e-09,'m^3/(mol*s)'), n=3.90462, w0=(301,'kJ/mol'), E0=(48.8418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09528589428587216, var=0.5344994441297269, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.7050629624114513"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7050629624114513""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7050629624114513 +""", +) + +entry( + index = 2211, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000565071,'m^3/(mol*s)'), n=2.53363, w0=(301,'kJ/mol'), E0=(57.302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10378581616495734, var=0.22224860618181747, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 1.2058656604694729"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.2058656604694729""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 1.2058656604694729 +""", +) + +entry( + index = 2212, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000699421,'m^3/(mol*s)'), n=2.5024, w0=(301,'kJ/mol'), E0=(54.9734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1864653332716083, var=0.4838303771056666, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.8629578170198906"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.8629578170198906""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.8629578170198906 +""", +) + +entry( + index = 2213, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0016,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2214, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.5711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2215, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000802794,'m^3/(mol*s)'), n=2.49462, w0=(301,'kJ/mol'), E0=(60.2539,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.038849126795833494, var=0.46507930759262794, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.464774506013924"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.464774506013924""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.464774506013924 +""", +) + +entry( + index = 2216, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.2536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2217, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00146,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.7551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2218, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(2.53635e-07,'m^3/(mol*s)'), n=3.50502, w0=(301,'kJ/mol'), E0=(56.4053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1305588747594684, var=0.9537218914708374, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 2.285835304381424"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 2.285835304381424""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 2.285835304381424 +""", +) + +entry( + index = 2219, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000629754,'m^3/(mol*s)'), n=2.52752, w0=(301,'kJ/mol'), E0=(59.3414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.022256724818794232, var=0.43238014534861796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.3741473821623822"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.3741473821623822""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.3741473821623822 +""", +) + +entry( + index = 2220, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.7362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2221, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.0732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2222, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000693307,'m^3/(mol*s)'), n=2.52514, w0=(301,'kJ/mol'), E0=(71.5573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08694760167152228, var=0.4005463345659834, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.487232681182194"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.487232681182194""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.487232681182194 +""", +) + +entry( + index = 2223, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.0237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2224, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.2158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2225, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000488896,'m^3/(mol*s)'), n=2.51274, w0=(301,'kJ/mol'), E0=(59.6188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1776557437348908, var=0.4505369659086578, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.7919905058211254"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.7919905058211254""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.7919905058211254 +""", +) + +entry( + index = 2226, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.8254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2227, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00103,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2228, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000548343,'m^3/(mol*s)'), n=2.50758, w0=(301,'kJ/mol'), E0=(66.766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1954213110706797, var=0.4338944650708361, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.8115406680267325"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.8115406680267325""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.8115406680267325 +""", +) + +entry( + index = 2229, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2230, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00111,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.3343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_Sp-7R!H-1R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2231, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(9.44235e-07,'m^3/(mol*s)'), n=3.49116, w0=(301,'kJ/mol'), E0=(92.9791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3391681080039812, var=0.6481443367691857, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 2.466141501759381"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 2.466141501759381""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 2.466141501759381 +""", +) + +entry( + index = 2232, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.68423e-07,'m^3/(mol*s)'), n=3.62366, w0=(301,'kJ/mol'), E0=(89.5977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2808667696761863, var=1.794432067125613, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.391166607568573"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.391166607568573""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.391166607568573 +""", +) + +entry( + index = 2233, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00689,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(98.4761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2234, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00584,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(107.461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2235, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00538,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(101.84,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2236, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(111.075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2237, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00023391,'m^3/(mol*s)'), n=2.63097, w0=(301,'kJ/mol'), E0=(58.5153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14929033410237869, var=0.213723807640441, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 1.3018958270242749"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.3018958270242749""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 1.3018958270242749 +""", +) + +entry( + index = 2238, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000370889,'m^3/(mol*s)'), n=2.58717, w0=(301,'kJ/mol'), E0=(57.7136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08285588285850841, var=0.12144390621905903, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.906806785590737"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.906806785590737""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.906806785590737 +""", +) + +entry( + index = 2239, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000713273,'m^3/(mol*s)'), n=2.49957, w0=(301,'kJ/mol'), E0=(56.9832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01904357114116531, var=0.4759803737665097, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.4309415793644766"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4309415793644766""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4309415793644766 +""", +) + +entry( + index = 2240, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00159,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2241, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.5518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2242, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000662549,'m^3/(mol*s)'), n=2.52121, w0=(301,'kJ/mol'), E0=(59.8302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15862113444001422, var=0.44785637517382565, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.7401558204605807"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.7401558204605807""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.7401558204605807 +""", +) + +entry( + index = 2243, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2244, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2245, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.1945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2246, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.5658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2247, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H", + kinetics = ArrheniusBM(A=(7.38401e-07,'m^3/(mol*s)'), n=3.48937, w0=(301,'kJ/mol'), E0=(98.4318,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2855209926227212, var=2.072443179622931, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H + Total Standard Deviation in ln(k): 3.603402578368008"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 3.603402578368008""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H +Total Standard Deviation in ln(k): 3.603402578368008 +""", +) + +entry( + index = 2248, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00469,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(105.012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2249, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00398,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(114.474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2250, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.64e-19,'m^3/(mol*s)'), n=7.26684, w0=(289.5,'kJ/mol'), E0=(30.1509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5714923237308237, var=2.2829581263973004, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 4.464957014018997"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.464957014018997""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 4.464957014018997 +""", +) + +entry( + index = 2251, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.78771e-20,'m^3/(mol*s)'), n=7.55627, w0=(289.5,'kJ/mol'), E0=(20.0085,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5246727096821873, var=2.4410512510599265, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.450443952829214"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.450443952829214""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.450443952829214 +""", +) + +entry( + index = 2252, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(4.52105e-19,'m^3/(mol*s)'), n=7.12078, w0=(289.5,'kJ/mol'), E0=(8.35109,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45681225869655484, var=3.085517533737199, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 4.669215216142637"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.669215216142637""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 4.669215216142637 +""", +) + +entry( + index = 2253, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(4.99835e-07,'m^3/(mol*s)'), n=3.50916, w0=(289.5,'kJ/mol'), E0=(75.5767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37729353308275765, var=0.75329368226759, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 2.687933250794648"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.687933250794648""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.687933250794648 +""", +) + +entry( + index = 2254, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00208465,'m^3/(mol*s)'), n=2.51394, w0=(289.5,'kJ/mol'), E0=(87.3471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35364084311271454, var=1.2932840756894075, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.1683826551625756"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.1683826551625756""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.1683826551625756 +""", +) + +entry( + index = 2255, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0027104,'m^3/(mol*s)'), n=2.44759, w0=(289.5,'kJ/mol'), E0=(88.0376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29310761093256515, var=2.396857765623562, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.840139739512631"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.840139739512631""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.840139739512631 +""", +) + +entry( + index = 2256, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0022,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(89.3243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2257, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00611,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(87.4524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2258, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.64407e-09,'m^3/(mol*s)'), n=4.14042, w0=(289.5,'kJ/mol'), E0=(67.6093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37403263703041695, var=1.123163129775407, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.064386519442128"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.064386519442128""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.064386519442128 +""", +) + +entry( + index = 2259, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.05642e-09,'m^3/(mol*s)'), n=3.95353, w0=(289.5,'kJ/mol'), E0=(69.5253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3427845324881151, var=1.4990017716117385, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.315739558409537"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.315739558409537""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.315739558409537 +""", +) + +entry( + index = 2260, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(1.749e-08,'m^3/(mol*s)'), n=3.80807, w0=(289.5,'kJ/mol'), E0=(72.0542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3781068697780716, var=2.2037481238700494, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 3.9260517997485933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.9260517997485933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.9260517997485933 +""", +) + +entry( + index = 2261, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00144,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(81.7386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2262, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(91.1783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2263, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(2.62805e-08,'m^3/(mol*s)'), n=3.88454, w0=(289.5,'kJ/mol'), E0=(69.2715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14322142021292497, var=2.1181111872450997, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 3.2774905441163495"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.2774905441163495""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.2774905441163495 +""", +) + +entry( + index = 2264, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.004,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(79.8316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2265, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(89.2771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2266, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00541,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.7367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2267, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00458,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(90.3193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2268, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(2.35957e-17,'m^3/(mol*s)'), n=6.78964, w0=(289.5,'kJ/mol'), E0=(26.7287,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5771142470919298, var=1.401316766219346, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 3.823185572245612"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.823185572245612""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 3.823185572245612 +""", +) + +entry( + index = 2269, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.55928e-08,'m^3/(mol*s)'), n=4.20202, w0=(289.5,'kJ/mol'), E0=(63.0404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9232481991135755, var=2.5893518736216294, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 5.545631162157976"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 5.545631162157976""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 5.545631162157976 +""", +) + +entry( + index = 2270, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.224728,'m^3/(mol*s)'), n=2.21991, w0=(289.5,'kJ/mol'), E0=(85.399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19814052216310798, var=0.6067245237531402, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.0593792518360936"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.0593792518360936""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.0593792518360936 +""", +) + +entry( + index = 2271, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0293,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(81.9663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2272, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0812,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(85.3352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2273, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.5904e-16,'m^3/(mol*s)'), n=6.53113, w0=(289.5,'kJ/mol'), E0=(17.3521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6225113733996038, var=1.234500203541314, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.7915212744561293"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.7915212744561293""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.7915212744561293 +""", +) + +entry( + index = 2274, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.26902e-05,'m^3/(mol*s)'), n=3.37392, w0=(289.5,'kJ/mol'), E0=(70.8261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22628600341020835, var=0.7426693717420813, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.2962037468154515"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2962037468154515""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.2962037468154515 +""", +) + +entry( + index = 2275, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(3.52811e-08,'m^3/(mol*s)'), n=4.0428, w0=(289.5,'kJ/mol'), E0=(62.584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25045612033418524, var=2.2631567820743204, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 3.645168489569531"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.645168489569531""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.645168489569531 +""", +) + +entry( + index = 2276, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0192,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.5832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2277, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0162,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(84.1362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2278, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(1.33443e-07,'m^3/(mol*s)'), n=4.00412, w0=(289.5,'kJ/mol'), E0=(65.3689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09639692409064553, var=1.9997211695496915, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 3.0771292256951366"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.0771292256951366""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 3.0771292256951366 +""", +) + +entry( + index = 2279, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0531,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.5579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2280, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.045,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(86.8284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2281, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0718,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(65.8096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2282, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0608,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.8098,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2283, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000891061,'m^3/(mol*s)'), n=2.8812, w0=(289.5,'kJ/mol'), E0=(76.1157,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3545450533385302, var=3.090520031877952, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.415115913379499"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.415115913379499""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.415115913379499 +""", +) + +entry( + index = 2284, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000103964,'m^3/(mol*s)'), n=3.11489, w0=(289.5,'kJ/mol'), E0=(73.8122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30024117967410663, var=9.551450743799535, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.950093067530285"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.950093067530285""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.950093067530285 +""", +) + +entry( + index = 2285, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.018,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(85.5742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2286, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(0.05,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.4834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2287, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.30879e-23,'m^3/(mol*s)'), n=8.38526, w0=(289.5,'kJ/mol'), E0=(8.62026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5793224943615196, var=1.9832872279087999, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.278837147991854"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.278837147991854""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.278837147991854 +""", +) + +entry( + index = 2288, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3.81884e-23,'m^3/(mol*s)'), n=8.33376, w0=(289.5,'kJ/mol'), E0=(8.71059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4579942759110754, var=3.2580976483422903, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.7693265448614595"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.7693265448614595""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.7693265448614595 +""", +) + +entry( + index = 2289, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(3.32806e-06,'m^3/(mol*s)'), n=3.41674, w0=(289.5,'kJ/mol'), E0=(75.5598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3931602181562833, var=3.1237332300648544, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 4.531025800722276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 4.531025800722276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 4.531025800722276 +""", +) + +entry( + index = 2290, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0118,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(79.5477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2291, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.01,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(90.2816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2292, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H", + kinetics = ArrheniusBM(A=(1.20551e-05,'m^3/(mol*s)'), n=3.38339, w0=(289.5,'kJ/mol'), E0=(65.7768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11633816384320525, var=3.3869632084717303, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H + Total Standard Deviation in ln(k): 3.9817620402129705"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 3.9817620402129705""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H +Total Standard Deviation in ln(k): 3.9817620402129705 +""", +) + +entry( + index = 2293, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0327,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2294, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0277,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.2129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-9R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2295, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0442,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.0466,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2296, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0375,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(86.0467,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2297, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00341878,'m^3/(mol*s)'), n=2.59234, w0=(289.5,'kJ/mol'), E0=(78.8624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33020531349701604, var=1.7741423743850901, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.499907288507914"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.499907288507914""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.499907288507914 +""", +) + +entry( + index = 2298, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00854968,'m^3/(mol*s)'), n=2.44469, w0=(289.5,'kJ/mol'), E0=(81.3571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30985086681347784, var=2.3980006785334362, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.8829481117621767"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.8829481117621767""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.8829481117621767 +""", +) + +entry( + index = 2299, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00679,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.7326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2300, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0188,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.5927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2301, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.68168e-08,'m^3/(mol*s)'), n=3.99201, w0=(289.5,'kJ/mol'), E0=(65.3229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3927513758833611, var=1.3550184245193042, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.3204295546363296"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.3204295546363296""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.3204295546363296 +""", +) + +entry( + index = 2302, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.91193e-07,'m^3/(mol*s)'), n=3.57351, w0=(289.5,'kJ/mol'), E0=(70.2029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34797877318453063, var=1.4096499435846945, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.254514018897942"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.254514018897942""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.254514018897942 +""", +) + +entry( + index = 2303, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(8.70649e-07,'m^3/(mol*s)'), n=3.46208, w0=(289.5,'kJ/mol'), E0=(72.3076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42692720562631725, var=3.125762448474991, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 4.617018141197719"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 4.617018141197719""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 4.617018141197719 +""", +) + +entry( + index = 2304, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00444,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(76.7245,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2305, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(87.4509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2306, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.79289e-06,'m^3/(mol*s)'), n=3.49873, w0=(289.5,'kJ/mol'), E0=(69.83,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11644821136948595, var=3.0225654393530466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.7779209976491157"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.7779209976491157""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.7779209976491157 +""", +) + +entry( + index = 2307, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.6076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2308, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0104,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(85.2925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2309, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0166,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2310, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0141,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(83.4023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-1R!H-R_N-7R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2311, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00881813,'m^3/(mol*s)'), n=2.50548, w0=(298.125,'kJ/mol'), E0=(72.0372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5102096532433111, var=2.833786833440002, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.656675817425323"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.656675817425323""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.656675817425323 +""", +) + +entry( + index = 2312, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00651271,'m^3/(mol*s)'), n=2.22461, w0=(301,'kJ/mol'), E0=(72.8023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1160247246419664, var=0.12382461553206114, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 0.9969600616772495"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.9969600616772495""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 0.9969600616772495 +""", +) + +entry( + index = 2313, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00450565,'m^3/(mol*s)'), n=2.31242, w0=(301,'kJ/mol'), E0=(76.8999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18923650741187065, var=0.22926267300600947, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.435363469535016"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.435363469535016""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.435363469535016 +""", +) + +entry( + index = 2314, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.003,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.8417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2315, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0014188,'m^3/(mol*s)'), n=2.39325, w0=(301,'kJ/mol'), E0=(68.6055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10735068783486447, var=0.17288184535327494, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.103275400761099"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.103275400761099""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.103275400761099 +""", +) + +entry( + index = 2316, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000491199,'m^3/(mol*s)'), n=2.57186, w0=(301,'kJ/mol'), E0=(68.5084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10645278812391668, var=0.32020373813536107, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.4018796878552453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4018796878552453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4018796878552453 +""", +) + +entry( + index = 2317, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00196,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.6985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2318, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00166,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.5412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2319, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000926,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.3738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2320, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000785,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2321, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00314122,'m^3/(mol*s)'), n=2.66362, w0=(297.618,'kJ/mol'), E0=(70.6876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5246286285620909, var=2.1327970388684023, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 4.245897311727476"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 4.245897311727476""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 4.245897311727476 +""", +) + +entry( + index = 2322, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.60555e-05,'m^3/(mol*s)'), n=3.0814, w0=(297.714,'kJ/mol'), E0=(60.8544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17829886787297178, var=0.9814202883441336, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R + Total Standard Deviation in ln(k): 2.434011163936226"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.434011163936226""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R +Total Standard Deviation in ln(k): 2.434011163936226 +""", +) + +entry( + index = 2323, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000112818,'m^3/(mol*s)'), n=2.94105, w0=(297.714,'kJ/mol'), E0=(67.2933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21881858953553998, var=1.2379042140798493, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.78028663026506"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.78028663026506""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.78028663026506 +""", +) + +entry( + index = 2324, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00342564,'m^3/(mol*s)'), n=2.4868, w0=(301,'kJ/mol'), E0=(69.8797,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16134074374040946, var=0.04876629275578603, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.8480862333920555"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.8480862333920555""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.8480862333920555 +""", +) + +entry( + index = 2325, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00503804,'m^3/(mol*s)'), n=2.45975, w0=(301,'kJ/mol'), E0=(72.0684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16909725994457903, var=0.0928543536600842, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.035750607647276"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.035750607647276""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.035750607647276 +""", +) + +entry( + index = 2326, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2327, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00492,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2328, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00575,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.2349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2329, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00433,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.3417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2330, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00562,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.3952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2331, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(4.41994e-19,'m^3/(mol*s)'), n=7.14268, w0=(289.5,'kJ/mol'), E0=(17.0643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2369813123208544, var=22.365402696272266, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 10.076238409596034"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.076238409596034""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 10.076238409596034 +""", +) + +entry( + index = 2332, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.004,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.6363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2333, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0531,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(73.0822,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2334, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.33604e-07,'m^3/(mol*s)'), n=3.57005, w0=(297.714,'kJ/mol'), E0=(52.5795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20771010545654306, var=1.1243200634264212, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.647584673458388"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.647584673458388""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.647584673458388 +""", +) + +entry( + index = 2335, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0128208,'m^3/(mol*s)'), n=2.2596, w0=(301,'kJ/mol'), E0=(63.5963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06847511502627895, var=0.10253280970132143, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 0.8139791305856674"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.8139791305856674""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 0.8139791305856674 +""", +) + +entry( + index = 2336, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0252423,'m^3/(mol*s)'), n=2.19624, w0=(301,'kJ/mol'), E0=(65.8655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06082913092036183, var=0.14911440544792076, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9269721672814176"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9269721672814176""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9269721672814176 +""", +) + +entry( + index = 2337, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0016255,'m^3/(mol*s)'), n=2.62349, w0=(301,'kJ/mol'), E0=(66.4278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19414474236425963, var=0.23257222532274377, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.4545992392595684"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.4545992392595684""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.4545992392595684 +""", +) + +entry( + index = 2338, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00982,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.7212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2339, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00832,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-9R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2340, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000521438,'m^3/(mol*s)'), n=2.64634, w0=(301,'kJ/mol'), E0=(57.4929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04125324232849236, var=0.13121581618889883, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 0.8298410588707549"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8298410588707549""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 0.8298410588707549 +""", +) + +entry( + index = 2341, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00322,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.5242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2342, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.4149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2343, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000470351,'m^3/(mol*s)'), n=2.63851, w0=(301,'kJ/mol'), E0=(60.2369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0805547890299306, var=0.1297212768147066, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.9244411939302872"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9244411939302872""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.9244411939302872 +""", +) + +entry( + index = 2344, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00273,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.2491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2345, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00319,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2346, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000506926,'m^3/(mol*s)'), n=2.61395, w0=(301,'kJ/mol'), E0=(57.3919,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04822928413484871, var=0.30738740810415455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.2326549432134406"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.2326549432134406""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.2326549432134406 +""", +) + +entry( + index = 2347, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00284,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.0732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2348, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0024,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.8567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2349, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000666038,'m^3/(mol*s)'), n=2.61242, w0=(301,'kJ/mol'), E0=(58.207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13133156817329528, var=0.28948692525612685, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.4086062587984616"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4086062587984616""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4086062587984616 +""", +) + +entry( + index = 2350, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00368,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.9439,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2351, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00312,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.6386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2352, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.47335e-14,'m^3/(mol*s)'), n=5.78371, w0=(289.5,'kJ/mol'), E0=(8.77916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2998331268663163, var=7.030501928045953, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.0689234028531605"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.0689234028531605""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.0689234028531605 +""", +) + +entry( + index = 2353, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(9.6202e-11,'m^3/(mol*s)'), n=4.52996, w0=(289.5,'kJ/mol'), E0=(53.5351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27234871340350364, var=1.9610431858995003, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.491669155670159"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.491669155670159""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.491669155670159 +""", +) + +entry( + index = 2354, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00262,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.5669,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2355, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00222,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(81.6833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2356, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.61861e-13,'m^3/(mol*s)'), n=5.64623, w0=(289.5,'kJ/mol'), E0=(21.3177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13524911101738457, var=1.9430001032233393, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 3.134252956137014"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.134252956137014""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 3.134252956137014 +""", +) + +entry( + index = 2357, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0347,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(65.2841,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2358, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0294,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.4192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Ext-7R!H-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2359, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.001418,'m^3/(mol*s)'), n=2.56844, w0=(298.125,'kJ/mol'), E0=(61.579,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11202957190469001, var=0.25390779060081187, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R + Total Standard Deviation in ln(k): 1.2916525830239551"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R +Total Standard Deviation in ln(k): 1.2916525830239551""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R +Total Standard Deviation in ln(k): 1.2916525830239551 +""", +) + +entry( + index = 2360, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00241099,'m^3/(mol*s)'), n=2.43908, w0=(301,'kJ/mol'), E0=(59.2488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09783396893082805, var=0.2058747609981608, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.1554309400249203"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1554309400249203""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.1554309400249203 +""", +) + +entry( + index = 2361, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00400767,'m^3/(mol*s)'), n=2.41789, w0=(301,'kJ/mol'), E0=(63.3729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15199682453342508, var=0.3942904341206049, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.640725845930177"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.640725845930177""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.640725845930177 +""", +) + +entry( + index = 2362, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00486,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.7368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2363, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00386,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.1328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2364, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00415,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.4538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2365, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000805679,'m^3/(mol*s)'), n=2.55445, w0=(301,'kJ/mol'), E0=(56.1898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08107336327956613, var=0.2669638579453121, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.2395193705670142"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2395193705670142""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2395193705670142 +""", +) + +entry( + index = 2366, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000948332,'m^3/(mol*s)'), n=2.55014, w0=(301,'kJ/mol'), E0=(53.5073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07010284398874356, var=0.4244263118319661, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.482182794022709"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.482182794022709""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.482182794022709 +""", +) + +entry( + index = 2367, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.1444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2368, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00269,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.4257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2369, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000795262,'m^3/(mol*s)'), n=2.54359, w0=(301,'kJ/mol'), E0=(55.9122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06225291402306831, var=0.4245840476675925, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.4627020217746556"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.4627020217746556""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.4627020217746556 +""", +) + +entry( + index = 2370, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.4882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2371, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.7709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2372, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000970119,'m^3/(mol*s)'), n=2.52785, w0=(301,'kJ/mol'), E0=(59.5155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07896804175535214, var=0.4378387424781202, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.5249330237024155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.5249330237024155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.5249330237024155 +""", +) + +entry( + index = 2373, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00272,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2374, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0023,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2375, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(6.01236e-06,'m^3/(mol*s)'), n=3.43816, w0=(289.5,'kJ/mol'), E0=(64.3657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1582502082502824, var=1.0119884925759566, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.414329739987117"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.414329739987117""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.414329739987117 +""", +) + +entry( + index = 2376, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0327,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.2226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2377, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.25643e-07,'m^3/(mol*s)'), n=3.69866, w0=(289.5,'kJ/mol'), E0=(61.5006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11874704680895765, var=2.9967442107431137, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.768777731230073"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.768777731230073""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.768777731230073 +""", +) + +entry( + index = 2378, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0214,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(68.2228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2379, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0181,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(78.8767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_Sp-6R!H-3R_N-Sp-2R!H=1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2380, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.92, w0=(289.5,'kJ/mol'), E0=(75.9233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Ext-2R!H-R_N-7R!H-inRing_N-Sp-6R!H-3R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2381, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00828248,'m^3/(mol*s)'), n=2.38678, w0=(295.25,'kJ/mol'), E0=(68.8256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29860947565628465, var=0.19919802377939716, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.6450205218784388"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6450205218784388""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6450205218784388 +""", +) + +entry( + index = 2382, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00384,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.9761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2383, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.2828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2384, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.04353e-06,'m^3/(mol*s)'), n=3.0961, w0=(314.9,'kJ/mol'), E0=(47.8248,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25403387200380967, var=0.12219132316784118, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.339048757985758"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.339048757985758""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.339048757985758 +""", +) + +entry( + index = 2385, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.14506e-05,'m^3/(mol*s)'), n=2.93163, w0=(331.833,'kJ/mol'), E0=(46.9277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051016206943592955, var=0.2066755265279035, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.0395656675036347"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.0395656675036347""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.0395656675036347 +""", +) + +entry( + index = 2386, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(7.96506e-06,'m^3/(mol*s)'), n=2.96709, w0=(347.25,'kJ/mol'), E0=(45.9712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19120295194254583, var=0.5052855860378455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.9054441418535124"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.9054441418535124""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.9054441418535124 +""", +) + +entry( + index = 2387, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_2R!H->C", + kinetics = ArrheniusBM(A=(0.00252,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.3723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2388, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_N-2R!H->C", + kinetics = ArrheniusBM(A=(1.22525e-05,'m^3/(mol*s)'), n=2.9005, w0=(393.5,'kJ/mol'), E0=(46.1097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_Sp-2R!H=1R!H_Ext-4R!H-R_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2389, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.04928e-07,'m^3/(mol*s)'), n=3.79945, w0=(289.5,'kJ/mol'), E0=(59.0162,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07783036467321723, var=2.9048650591540066, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.612356924341424"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.612356924341424""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.612356924341424 +""", +) + +entry( + index = 2390, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00806,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(66.815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2391, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00683,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.3756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Ext-3R-R_N-Sp-5R!H=4R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2392, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H", + kinetics = ArrheniusBM(A=(2.80808e-07,'m^3/(mol*s)'), n=3.83704, w0=(289.5,'kJ/mol'), E0=(58.984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28315684303997224, var=2.9262747832569844, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H + Total Standard Deviation in ln(k): 4.140820913887124"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 4.140820913887124""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 4.140820913887124 +""", +) + +entry( + index = 2393, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(0.000272846,'m^3/(mol*s)'), n=2.99187, w0=(289.5,'kJ/mol'), E0=(62.7144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13476088593216162, var=1.8284954697859765, Tref=1000.0, N=58, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R',), comment="""BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R + Total Standard Deviation in ln(k): 3.0494354933512153"""), + rank = 11, + shortDesc = """BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 3.0494354933512153""", + longDesc = +""" +BM rule fitted to 58 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 3.0494354933512153 +""", +) + +entry( + index = 2394, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.61964e-06,'m^3/(mol*s)'), n=3.57073, w0=(289.5,'kJ/mol'), E0=(58.3374,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19351810023233074, var=4.580840604238908, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.776940502888073"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.776940502888073""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.776940502888073 +""", +) + +entry( + index = 2395, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.99834e-06,'m^3/(mol*s)'), n=3.55462, w0=(289.5,'kJ/mol'), E0=(61.3586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.44728031912056476, var=2.382607459442993, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.218268245700665"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.218268245700665""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.218268245700665 +""", +) + +entry( + index = 2396, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00815206,'m^3/(mol*s)'), n=2.48901, w0=(289.5,'kJ/mol'), E0=(83.1892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15091954353860795, var=0.46451283562314466, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.7455256034417472"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.7455256034417472""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.7455256034417472 +""", +) + +entry( + index = 2397, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.005581,'m^3/(mol*s)'), n=2.54199, w0=(289.5,'kJ/mol'), E0=(84.6616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16211452411209573, var=0.5291137637015735, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.8655713593388425"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8655713593388425""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8655713593388425 +""", +) + +entry( + index = 2398, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00795396,'m^3/(mol*s)'), n=2.46431, w0=(289.5,'kJ/mol'), E0=(85.4409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1064535423534726, var=0.4496850869469188, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.6118177464786039"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6118177464786039""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6118177464786039 +""", +) + +entry( + index = 2399, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00679352,'m^3/(mol*s)'), n=2.4206, w0=(289.5,'kJ/mol'), E0=(86.7968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22692806133182392, var=0.008141638623238783, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.7510603175974643"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7510603175974643""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7510603175974643 +""", +) + +entry( + index = 2400, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0127,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(91.4627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2401, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0054468,'m^3/(mol*s)'), n=2.41446, w0=(289.5,'kJ/mol'), E0=(84.5018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19940603186285516, var=0.0016435609213527676, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5822938545772949"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5822938545772949""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5822938545772949 +""", +) + +entry( + index = 2402, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00587,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(84.6467,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2403, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00543,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(84.4426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2404, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0188427,'m^3/(mol*s)'), n=2.42033, w0=(289.5,'kJ/mol'), E0=(84.9242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0251266636661885, var=0.006674926849196179, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.2269196286901799"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.2269196286901799""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.2269196286901799 +""", +) + +entry( + index = 2405, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0351,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(89.5892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2406, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0150762,'m^3/(mol*s)'), n=2.41454, w0=(289.5,'kJ/mol'), E0=(82.623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04356882358374689, var=0.0015562182418504898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.18855406388561494"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.18855406388561494""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.18855406388561494 +""", +) + +entry( + index = 2407, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0163,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.7951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2408, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.5381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2409, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0474,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(90.3094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2410, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0204186,'m^3/(mol*s)'), n=2.41428, w0=(289.5,'kJ/mol'), E0=(83.5034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21727934599645418, var=0.0015143727803071164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6239421560671006"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6239421560671006""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6239421560671006 +""", +) + +entry( + index = 2411, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.022,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(83.6599,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2412, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0203,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(83.4283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2413, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0229,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.7167,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2414, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00987639,'m^3/(mol*s)'), n=2.41411, w0=(289.5,'kJ/mol'), E0=(75.4263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09814959359477661, var=0.0005568293942100325, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.2939132193376708"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2939132193376708""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2939132193376708 +""", +) + +entry( + index = 2415, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0106,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.6235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2416, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00983,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.3096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2417, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00132999,'m^3/(mol*s)'), n=2.81881, w0=(289.5,'kJ/mol'), E0=(65.5839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6268759495063491, var=3.0774607598192767, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 5.0919103908977865"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.0919103908977865""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 5.0919103908977865 +""", +) + +entry( + index = 2418, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.76223e-18,'m^3/(mol*s)'), n=7.21054, w0=(289.5,'kJ/mol'), E0=(14.3339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6423553101284685, var=1.0638018139472687, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.681657232097243"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.681657232097243""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.681657232097243 +""", +) + +entry( + index = 2419, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.998973,'m^3/(mol*s)'), n=2.18464, w0=(289.5,'kJ/mol'), E0=(83.3667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010706244798164047, var=0.1317521329026053, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.7545723683189896"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7545723683189896""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.7545723683189896 +""", +) + +entry( + index = 2420, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0875516,'m^3/(mol*s)'), n=2.42408, w0=(289.5,'kJ/mol'), E0=(79.5397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08687341633638054, var=0.009239324638570679, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.4109728691635974"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4109728691635974""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4109728691635974 +""", +) + +entry( + index = 2421, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.168,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(84.1078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2422, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0722824,'m^3/(mol*s)'), n=2.41441, w0=(289.5,'kJ/mol'), E0=(77.3436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06331728561804922, var=0.0013184224763214693, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.23188076401537056"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.23188076401537056""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.23188076401537056 +""", +) + +entry( + index = 2423, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0779,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.5002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2424, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.072,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.2709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2425, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.257952,'m^3/(mol*s)'), n=2.41661, w0=(289.5,'kJ/mol'), E0=(82.7414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0737057300254176, var=0.004721228401428913, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.32293802048422743"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.32293802048422743""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.32293802048422743 +""", +) + +entry( + index = 2426, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.466,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(87.4677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2427, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.200367,'m^3/(mol*s)'), n=2.41456, w0=(289.5,'kJ/mol'), E0=(80.3489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08921297483451378, var=0.001268193871065976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.29554524679649646"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.29554524679649646""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.29554524679649646 +""", +) + +entry( + index = 2428, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.216,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.5087,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2429, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.2,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.2776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Ext-8R!H-R_N-Sp-9R!H=8R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2430, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.63,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.6156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2431, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.269533,'m^3/(mol*s)'), n=2.41509, w0=(289.5,'kJ/mol'), E0=(68.4488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08955690460042058, var=0.0028058721680396877, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3312091354482206"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3312091354482206""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3312091354482206 +""", +) + +entry( + index = 2432, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.292,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(68.5398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2433, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.27,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(68.4515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2434, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.482376,'m^3/(mol*s)'), n=2.00976, w0=(289.5,'kJ/mol'), E0=(71.1083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.7534309838010937, var=6.805675446361164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 9.635496114382608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 9.635496114382608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 9.635496114382608 +""", +) + +entry( + index = 2435, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.213436,'m^3/(mol*s)'), n=2.40642, w0=(289.5,'kJ/mol'), E0=(71.8272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04399413318511764, var=0.008227465332356155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 0.2923782731261426"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 0.2923782731261426""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 0.2923782731261426 +""", +) + +entry( + index = 2436, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.141,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(68.2521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2437, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.305,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.2115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2438, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(6.05e-05,'m^3/(mol*s)'), n=2.9, w0=(289.5,'kJ/mol'), E0=(62.3198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2439, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.338685,'m^3/(mol*s)'), n=2.22324, w0=(289.5,'kJ/mol'), E0=(69.282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2295420617248394, var=7.590777596375654, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 6.100057801468034"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 6.100057801468034""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 6.100057801468034 +""", +) + +entry( + index = 2440, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.103711,'m^3/(mol*s)'), n=2.21757, w0=(289.5,'kJ/mol'), E0=(69.1978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.43542689089496595, var=1.6086482373400126, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.6366929773786945"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.6366929773786945""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.6366929773786945 +""", +) + +entry( + index = 2441, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0047698,'m^3/(mol*s)'), n=2.88982, w0=(289.5,'kJ/mol'), E0=(78.275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1842021046150756, var=3.063635336271599, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.9717559830668043"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9717559830668043""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9717559830668043 +""", +) + +entry( + index = 2442, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.000535272,'m^3/(mol*s)'), n=3.12823, w0=(289.5,'kJ/mol'), E0=(75.9255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13014106260532599, var=9.449986934111307, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 6.4897098251425005"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.4897098251425005""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 6.4897098251425005 +""", +) + +entry( + index = 2443, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.103,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(87.787,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2444, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.287,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(76.7518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2445, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000776432,'m^3/(mol*s)'), n=3.11694, w0=(289.5,'kJ/mol'), E0=(61.4369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5100597745079292, var=7.436929476667313, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 9.261179794341977"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 9.261179794341977""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 9.261179794341977 +""", +) + +entry( + index = 2446, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.000301523,'m^3/(mol*s)'), n=3.13306, w0=(289.5,'kJ/mol'), E0=(70.6598,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12328801689399806, var=1.4023846194421135, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.6838227022783814"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.6838227022783814""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.6838227022783814 +""", +) + +entry( + index = 2447, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.93187e-06,'m^3/(mol*s)'), n=3.55211, w0=(289.5,'kJ/mol'), E0=(66.6238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12632529831208622, var=2.366220645356283, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.401188921018118"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.401188921018118""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.401188921018118 +""", +) + +entry( + index = 2448, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0448605,'m^3/(mol*s)'), n=2.41357, w0=(289.5,'kJ/mol'), E0=(82.1562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18247711269305622, var=0.003147557955557506, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.5709570625422934"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.5709570625422934""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.5709570625422934 +""", +) + +entry( + index = 2449, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.048,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.208,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2450, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0444,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.1684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2451, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.124318,'m^3/(mol*s)'), n=2.41354, w0=(289.5,'kJ/mol'), E0=(71.5618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11634852999146206, var=0.005137960237021313, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.43603153099102515"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.43603153099102515""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.43603153099102515 +""", +) + +entry( + index = 2452, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.133,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(71.5521,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2453, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.123,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(71.6338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2454, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.18,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.6121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2455, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.166,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.6629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2456, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.087,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(70.8837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2457, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00759028,'m^3/(mol*s)'), n=2.85578, w0=(289.5,'kJ/mol'), E0=(61.947,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3808134447621285, var=3.4171021848046723, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 7.17521460779029"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 7.17521460779029""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-2R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 7.17521460779029 +""", +) + +entry( + index = 2458, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00011649,'m^3/(mol*s)'), n=3.06854, w0=(289.5,'kJ/mol'), E0=(63.0571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4634806713036109, var=0.7342114704097822, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.8823044183724837"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.8823044183724837""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.8823044183724837 +""", +) + +entry( + index = 2459, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0214603,'m^3/(mol*s)'), n=2.4807, w0=(289.5,'kJ/mol'), E0=(79.5447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09072323411721579, var=0.44598678667337377, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.5667548582893454"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5667548582893454""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5667548582893454 +""", +) + +entry( + index = 2460, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0184906,'m^3/(mol*s)'), n=2.43584, w0=(289.5,'kJ/mol'), E0=(81.0146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25096724261078907, var=0.03561254334475333, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.008890250350348"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.008890250350348""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.008890250350348 +""", +) + +entry( + index = 2461, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.039,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(84.9472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2462, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0168649,'m^3/(mol*s)'), n=2.41379, w0=(289.5,'kJ/mol'), E0=(79.3297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21741472323338715, var=0.00359943327388627, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6665427853009479"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6665427853009479""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6665427853009479 +""", +) + +entry( + index = 2463, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0181,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(79.3827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2464, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0167,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(79.3444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2465, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0511501,'m^3/(mol*s)'), n=2.43601, w0=(289.5,'kJ/mol'), E0=(78.874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07959375890249819, var=0.031627587732527475, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.5565093479210206"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.5565093479210206""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.5565093479210206 +""", +) + +entry( + index = 2466, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.108,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.8095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2467, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0466245,'m^3/(mol*s)'), n=2.41404, w0=(289.5,'kJ/mol'), E0=(77.187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10456640251113276, var=0.004080494177810266, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3907896171571011"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3907896171571011""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3907896171571011 +""", +) + +entry( + index = 2468, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0501,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.2195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2469, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0463,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.2269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2470, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0677,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.9718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2471, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000406218,'m^3/(mol*s)'), n=2.89811, w0=(289.5,'kJ/mol'), E0=(62.4047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5135487544696652, var=1.5034584423683732, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.7484413704325203"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.7484413704325203""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.7484413704325203 +""", +) + +entry( + index = 2472, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.146,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(79.0262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2473, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000336674,'m^3/(mol*s)'), n=2.91393, w0=(289.5,'kJ/mol'), E0=(61.883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7992226139429212, var=2.349780304523557, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 5.081154043317393"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 5.081154043317393""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 5.081154043317393 +""", +) + +entry( + index = 2474, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0598154,'m^3/(mol*s)'), n=2.26464, w0=(289.5,'kJ/mol'), E0=(66.9651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8156034975311882, var=1.361006125735104, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.388022406962379"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.388022406962379""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.388022406962379 +""", +) + +entry( + index = 2475, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0346206,'m^3/(mol*s)'), n=2.41186, w0=(289.5,'kJ/mol'), E0=(66.9028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.007545701936096963, var=1.6293004742910246, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.577884192219272"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.577884192219272""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.577884192219272 +""", +) + +entry( + index = 2476, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.171395,'m^3/(mol*s)'), n=2.17999, w0=(289.5,'kJ/mol'), E0=(70.8547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023434963694375102, var=0.15842256353320383, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8568131302308463"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8568131302308463""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8568131302308463 +""", +) + +entry( + index = 2477, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0827686,'m^3/(mol*s)'), n=2.28696, w0=(289.5,'kJ/mol'), E0=(71.3923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023034566740841627, var=0.47029639460433637, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.4326862126595434"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.4326862126595434""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.4326862126595434 +""", +) + +entry( + index = 2478, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.1954,'m^3/(mol*s)'), n=1.905, w0=(289.5,'kJ/mol'), E0=(70.285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H=4R!H_Ext-5R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2479, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(539339,'m^3/(mol*s)'), n=0.286787, w0=(289.5,'kJ/mol'), E0=(106.223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.211724492539645, var=3.713057222477376, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R + Total Standard Deviation in ln(k): 4.394954207828005"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 4.394954207828005""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 4.394954207828005 +""", +) + +entry( + index = 2480, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing", + kinetics = ArrheniusBM(A=(540.5,'m^3/(mol*s)'), n=1.21, w0=(289.5,'kJ/mol'), E0=(91.4075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2481, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.000875845,'m^3/(mol*s)'), n=2.78399, w0=(289.5,'kJ/mol'), E0=(84.8357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.405730275607875, var=8.94696848802226, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing + Total Standard Deviation in ln(k): 9.52844564820921"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing +Total Standard Deviation in ln(k): 9.52844564820921""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing +Total Standard Deviation in ln(k): 9.52844564820921 +""", +) + +entry( + index = 2482, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.903321,'m^3/(mol*s)'), n=1.925, w0=(289.5,'kJ/mol'), E0=(90.2139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2483, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.17127e-28,'m^3/(mol*s)'), n=9.91627, w0=(289.5,'kJ/mol'), E0=(15.6675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2952910237397214, var=14.182633191967218, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 8.291736860093943"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.291736860093943""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 8.291736860093943 +""", +) + +entry( + index = 2484, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(0.620281,'m^3/(mol*s)'), n=1.929, w0=(289.5,'kJ/mol'), E0=(101.978,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2485, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(1.19841,'m^3/(mol*s)'), n=1.935, w0=(289.5,'kJ/mol'), E0=(85.9792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-5R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2486, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H", + kinetics = ArrheniusBM(A=(2.25713e-13,'m^3/(mol*s)'), n=5.31456, w0=(300.635,'kJ/mol'), E0=(42.9622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.372338763425909, var=4.180287361148109, Tref=1000.0, N=384, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H',), comment="""BM rule fitted to 384 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H + Total Standard Deviation in ln(k): 5.034355963151021"""), + rank = 11, + shortDesc = """BM rule fitted to 384 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 5.034355963151021""", + longDesc = +""" +BM rule fitted to 384 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H +Total Standard Deviation in ln(k): 5.034355963151021 +""", +) + +entry( + index = 2487, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(4.30416e-16,'m^3/(mol*s)'), n=6.08142, w0=(300.853,'kJ/mol'), E0=(35.2002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42494241855262277, var=2.081425725945606, Tref=1000.0, N=380, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R',), comment="""BM rule fitted to 380 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R + Total Standard Deviation in ln(k): 3.9599552988770057"""), + rank = 11, + shortDesc = """BM rule fitted to 380 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 3.9599552988770057""", + longDesc = +""" +BM rule fitted to 380 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R +Total Standard Deviation in ln(k): 3.9599552988770057 +""", +) + +entry( + index = 2488, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.01476e-18,'m^3/(mol*s)'), n=6.86691, w0=(300.231,'kJ/mol'), E0=(30.5347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4423474613267679, var=1.968787844362757, Tref=1000.0, N=321, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R',), comment="""BM rule fitted to 321 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.9243397465759227"""), + rank = 11, + shortDesc = """BM rule fitted to 321 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9243397465759227""", + longDesc = +""" +BM rule fitted to 321 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9243397465759227 +""", +) + +entry( + index = 2489, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(4.90886e-07,'m^3/(mol*s)'), n=3.48099, w0=(298.042,'kJ/mol'), E0=(61.5678,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38280972382752676, var=0.554102018001657, Tref=1000.0, N=71, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing',), comment="""BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 2.454118757743621"""), + rank = 11, + shortDesc = """BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 2.454118757743621""", + longDesc = +""" +BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 2.454118757743621 +""", +) + +entry( + index = 2490, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.53071e-07,'m^3/(mol*s)'), n=3.52272, w0=(297.769,'kJ/mol'), E0=(61.1391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39215585364094063, var=0.5554761568587938, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.4794507379425115"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4794507379425115""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.4794507379425115 +""", +) + +entry( + index = 2491, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1.01813e-08,'m^3/(mol*s)'), n=3.98494, w0=(300.023,'kJ/mol'), E0=(60.4281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5850594204866664, var=1.8612814194465626, Tref=1000.0, N=43, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 43 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 4.205034312585822"""), + rank = 11, + shortDesc = """BM rule fitted to 43 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.205034312585822""", + longDesc = +""" +BM rule fitted to 43 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 4.205034312585822 +""", +) + +entry( + index = 2492, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.79594e-25,'m^3/(mol*s)'), n=8.7749, w0=(297.769,'kJ/mol'), E0=(4.02238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.190625442700516, var=4.02447239825598, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 9.525800647764846"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 9.525800647764846""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 9.525800647764846 +""", +) + +entry( + index = 2493, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00110472,'m^3/(mol*s)'), n=2.40965, w0=(301,'kJ/mol'), E0=(82.5351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1645457562013904, var=0.1717359986912417, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.2442146596710308"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.2442146596710308""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.2442146596710308 +""", +) + +entry( + index = 2494, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000988469,'m^3/(mol*s)'), n=2.47018, w0=(301,'kJ/mol'), E0=(82.8642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1692211529295227, var=0.06848341000069849, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9498046166403916"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9498046166403916""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9498046166403916 +""", +) + +entry( + index = 2495, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00275,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.7677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2496, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00102328,'m^3/(mol*s)'), n=2.4323, w0=(301,'kJ/mol'), E0=(81.4882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13894757798370277, var=0.04982483511205821, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.7966010037903051"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7966010037903051""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7966010037903051 +""", +) + +entry( + index = 2497, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00127,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.1809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2498, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00118,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.2042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2499, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.9286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2500, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000482287,'m^3/(mol*s)'), n=2.43243, w0=(301,'kJ/mol'), E0=(79.7984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13483296991702076, var=0.05678727465927436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.8165062932668472"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.8165062932668472""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.8165062932668472 +""", +) + +entry( + index = 2501, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000601,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.4711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2502, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000555,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.5337,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2503, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00110744,'m^3/(mol*s)'), n=2.47045, w0=(301,'kJ/mol'), E0=(82.0607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03227352587061032, var=0.050237635764988804, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5304256447849874"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5304256447849874""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5304256447849874 +""", +) + +entry( + index = 2504, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00309,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.2553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2505, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00111931,'m^3/(mol*s)'), n=2.4355, w0=(301,'kJ/mol'), E0=(80.5119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007551908844653924, var=0.04566223380198231, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.4473609381198742"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4473609381198742""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4473609381198742 +""", +) + +entry( + index = 2506, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.2897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2507, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00132,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.2107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2508, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000166761,'m^3/(mol*s)'), n=2.81143, w0=(259,'kJ/mol'), E0=(66.7285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2509, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000520548,'m^3/(mol*s)'), n=2.47079, w0=(301,'kJ/mol'), E0=(79.1076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0265928690662469, var=0.05616683191033842, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.5419292974731911"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5419292974731911""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.5419292974731911 +""", +) + +entry( + index = 2510, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(83.1487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2511, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000531318,'m^3/(mol*s)'), n=2.4349, w0=(301,'kJ/mol'), E0=(77.6449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.001052474469395282, var=0.04876429456313009, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.4453428184556914"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4453428184556914""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4453428184556914 +""", +) + +entry( + index = 2512, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000675,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.3859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2513, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000624,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.3637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_7R!H-inRing_N-1R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2514, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.000191795,'m^3/(mol*s)'), n=2.77478, w0=(301,'kJ/mol'), E0=(73.6532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11870617038996739, var=0.044601848130359535, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 0.7216397103018175"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.7216397103018175""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 0.7216397103018175 +""", +) + +entry( + index = 2515, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.94986e-05,'m^3/(mol*s)'), n=3.08013, w0=(301,'kJ/mol'), E0=(71.9744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1686934148391311, var=0.04722768607212107, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.859520461336734"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.859520461336734""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.859520461336734 +""", +) + +entry( + index = 2516, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(0.0154127,'m^3/(mol*s)'), n=2.33578, w0=(301,'kJ/mol'), E0=(88.8475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21053918681677872, var=0.0299167737983855, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 0.875741253850018"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.875741253850018""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 0.875741253850018 +""", +) + +entry( + index = 2517, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00566752,'m^3/(mol*s)'), n=2.45305, w0=(301,'kJ/mol'), E0=(88.6106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27797629664608353, var=0.023708768823348346, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.0071150376143707"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0071150376143707""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0071150376143707 +""", +) + +entry( + index = 2518, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0137,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(93.3827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2519, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0048942,'m^3/(mol*s)'), n=2.43792, w0=(301,'kJ/mol'), E0=(86.496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24975000592341445, var=0.03304824309827366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9919568907567871"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9919568907567871""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9919568907567871 +""", +) + +entry( + index = 2520, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00637,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(86.4185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2521, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00589,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.1311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2522, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(91.8418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2523, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00548674,'m^3/(mol*s)'), n=2.43806, w0=(301,'kJ/mol'), E0=(84.4399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13262934464785833, var=0.024323617601605816, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6458986590965979"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6458986590965979""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6458986590965979 +""", +) + +entry( + index = 2524, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00715,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.4555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2525, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00661,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.0045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-11R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2526, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00155307,'m^3/(mol*s)'), n=2.48526, w0=(301,'kJ/mol'), E0=(73.5413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09254633509595561, var=0.04076381618992137, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.6372855159307699"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6372855159307699""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6372855159307699 +""", +) + +entry( + index = 2527, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00461435,'m^3/(mol*s)'), n=2.41684, w0=(301,'kJ/mol'), E0=(77.6457,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13906947272225295, var=0.004197997081567143, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.4793114852231849"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4793114852231849""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4793114852231849 +""", +) + +entry( + index = 2528, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00451,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.6069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2529, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00527,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.8104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2530, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00162713,'m^3/(mol*s)'), n=2.44592, w0=(301,'kJ/mol'), E0=(72.1099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06376126580480299, var=0.02006806236409265, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.44419854227632394"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.44419854227632394""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.44419854227632394 +""", +) + +entry( + index = 2531, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00160572,'m^3/(mol*s)'), n=2.43784, w0=(301,'kJ/mol'), E0=(71.1166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07173690619608424, var=0.051917590744980535, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.6370310289950559"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.6370310289950559""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.6370310289950559 +""", +) + +entry( + index = 2532, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00209,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.8635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2533, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00193,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.8839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2534, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00188971,'m^3/(mol*s)'), n=2.43703, w0=(301,'kJ/mol'), E0=(73.2638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19560299444373988, var=0.05107941613427052, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.9445500888231125"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.9445500888231125""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.9445500888231125 +""", +) + +entry( + index = 2535, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00244,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.0111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2536, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00226,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.0173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2537, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00543777,'m^3/(mol*s)'), n=2.4107, w0=(301,'kJ/mol'), E0=(77.3892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08438251450675187, var=0.0033675489389636466, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3283523198976771"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3283523198976771""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3283523198976771 +""", +) + +entry( + index = 2538, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00506,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.6617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2539, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00591,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.1306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2540, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00190985,'m^3/(mol*s)'), n=2.4404, w0=(301,'kJ/mol'), E0=(71.3925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017309367551908438, var=0.012117278410758646, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.2641691239377013"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2641691239377013""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2641691239377013 +""", +) + +entry( + index = 2541, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00177445,'m^3/(mol*s)'), n=2.44, w0=(301,'kJ/mol'), E0=(70.6692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03286053629362016, var=0.040263327346312806, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.48482876601515834"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.48482876601515834""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.48482876601515834 +""", +) + +entry( + index = 2542, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00235,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.53,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2543, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00217,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2544, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00207763,'m^3/(mol*s)'), n=2.43947, w0=(301,'kJ/mol'), E0=(72.1299,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06360271508420116, var=0.040938186625741516, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.5654276188521551"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.5654276188521551""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.5654276188521551 +""", +) + +entry( + index = 2545, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00274,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.9866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2546, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.8328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2547, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00173173,'m^3/(mol*s)'), n=2.46242, w0=(301,'kJ/mol'), E0=(74.9346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09171058925189693, var=0.04382333611450152, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.6501003385985056"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6501003385985056""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6501003385985056 +""", +) + +entry( + index = 2548, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00490785,'m^3/(mol*s)'), n=2.3998, w0=(301,'kJ/mol'), E0=(78.9594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14024671397451424, var=0.056759264005492006, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.8299908291895199"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.8299908291895199""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.8299908291895199 +""", +) + +entry( + index = 2549, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00397,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.6145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2550, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00515,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.1235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2551, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00184445,'m^3/(mol*s)'), n=2.42107, w0=(301,'kJ/mol'), E0=(73.5365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06284941063338309, var=0.02891391587234307, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.49880009720045193"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.49880009720045193""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.49880009720045193 +""", +) + +entry( + index = 2552, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00142649,'m^3/(mol*s)'), n=2.43675, w0=(301,'kJ/mol'), E0=(73.1732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09147457771734162, var=0.05387173320672119, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.6951403483507643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.6951403483507643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.6951403483507643 +""", +) + +entry( + index = 2553, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00184,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.9033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2554, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.9361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2555, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00185977,'m^3/(mol*s)'), n=2.43634, w0=(301,'kJ/mol'), E0=(73.6176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0330115395874351, var=0.04795348816146511, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.5219461655649018"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.5219461655649018""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.5219461655649018 +""", +) + +entry( + index = 2556, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00239,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.3788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2557, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00221,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2558, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0054955,'m^3/(mol*s)'), n=2.40015, w0=(301,'kJ/mol'), E0=(78.8509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.060627564071864024, var=0.10045649933737703, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.7877288057344746"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7877288057344746""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7877288057344746 +""", +) + +entry( + index = 2559, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00446,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2560, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00578,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2561, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00200793,'m^3/(mol*s)'), n=2.42494, w0=(301,'kJ/mol'), E0=(72.9189,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005336375666211667, var=0.039841256466045805, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.4135586067933203"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4135586067933203""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.4135586067933203 +""", +) + +entry( + index = 2562, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00157462,'m^3/(mol*s)'), n=2.43903, w0=(301,'kJ/mol'), E0=(72.8103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020658234964390475, var=0.04213709544597209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.46342354047374457"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.46342354047374457""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.46342354047374457 +""", +) + +entry( + index = 2563, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00207,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.6531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2564, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00191,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.5165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2565, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00202994,'m^3/(mol*s)'), n=2.43974, w0=(301,'kJ/mol'), E0=(72.7558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03308413899780779, var=0.041842765769419754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H + Total Standard Deviation in ln(k): 0.49320464808959846"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.49320464808959846""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H +Total Standard Deviation in ln(k): 0.49320464808959846 +""", +) + +entry( + index = 2566, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.5922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2567, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00248,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.4843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-10R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2568, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.09861e-05,'m^3/(mol*s)'), n=3.10938, w0=(296.8,'kJ/mol'), E0=(64.7775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6853313674442837, var=0.7285562088990641, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.4330898413722"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.4330898413722""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.4330898413722 +""", +) + +entry( + index = 2569, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(0.00155321,'m^3/(mol*s)'), n=2.45429, w0=(301,'kJ/mol'), E0=(76.4397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07647317209708282, var=0.12473242394166227, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 0.9001655147511156"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.9001655147511156""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.9001655147511156 +""", +) + +entry( + index = 2570, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0038,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.5418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2571, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00149938,'m^3/(mol*s)'), n=2.42517, w0=(301,'kJ/mol'), E0=(75.3211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04531103088681709, var=0.07483774493167092, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6622719271439632"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6622719271439632""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6622719271439632 +""", +) + +entry( + index = 2572, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.7989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2573, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.1108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2574, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(8.33655e-06,'m^3/(mol*s)'), n=3.14685, w0=(295,'kJ/mol'), E0=(63.973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4891048509951747, var=0.13335544533145172, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 1.960993106985876"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 1.960993106985876""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 1.960993106985876 +""", +) + +entry( + index = 2575, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00393374,'m^3/(mol*s)'), n=2.41111, w0=(301,'kJ/mol'), E0=(70.6679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1301074975883406, var=0.3051751798795033, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.4343723001193203"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.4343723001193203""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.4343723001193203 +""", +) + +entry( + index = 2576, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00445,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.7515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2577, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.20264e-06,'m^3/(mol*s)'), n=3.18192, w0=(292.6,'kJ/mol'), E0=(63.6464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5934093980936161, var=0.24342485769693892, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.4800766789334805"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.4800766789334805""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.4800766789334805 +""", +) + +entry( + index = 2578, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00176077,'m^3/(mol*s)'), n=2.42483, w0=(301,'kJ/mol'), E0=(65.7155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0156734080901922, var=0.08271244171860895, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.6159376359930128"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6159376359930128""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.6159376359930128 +""", +) + +entry( + index = 2579, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00206,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2580, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00191,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2581, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(3.0143e-06,'m^3/(mol*s)'), n=3.28044, w0=(259,'kJ/mol'), E0=(63.2363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2582, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00140963,'m^3/(mol*s)'), n=2.42411, w0=(301,'kJ/mol'), E0=(67.593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09709587296614439, var=0.08003464095502148, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.8111069378444754"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.8111069378444754""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.8111069378444754 +""", +) + +entry( + index = 2583, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00164,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2584, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.4027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2585, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.000100188,'m^3/(mol*s)'), n=2.81056, w0=(293.364,'kJ/mol'), E0=(65.3682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2617895860757495, var=0.46796761839423995, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 2.029165133400782"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.029165133400782""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 2.029165133400782 +""", +) + +entry( + index = 2586, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(0.00162098,'m^3/(mol*s)'), n=2.4635, w0=(301,'kJ/mol'), E0=(75.3905,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07849584850904004, var=0.09874541192389372, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 0.8271893444735376"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.8271893444735376""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 0.8271893444735376 +""", +) + +entry( + index = 2587, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00427,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7929,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2588, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00163513,'m^3/(mol*s)'), n=2.42891, w0=(301,'kJ/mol'), E0=(74.2066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10481249870930426, var=0.06715133789857809, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.7828465182927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7828465182927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7828465182927 +""", +) + +entry( + index = 2589, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00198,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.7655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2590, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00183,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.9843,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2591, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H", + kinetics = ArrheniusBM(A=(0.00010241,'m^3/(mol*s)'), n=2.80786, w0=(290.5,'kJ/mol'), E0=(65.0882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24878133250121773, var=0.4380223153396424, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H + Total Standard Deviation in ln(k): 1.9518776397445023"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 1.9518776397445023""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H +Total Standard Deviation in ln(k): 1.9518776397445023 +""", +) + +entry( + index = 2592, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00184587,'m^3/(mol*s)'), n=2.46686, w0=(301,'kJ/mol'), E0=(66.7108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13440699912184034, var=0.106524216078378, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.9920124197199197"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9920124197199197""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.9920124197199197 +""", +) + +entry( + index = 2593, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00499,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.0338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2594, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00189443,'m^3/(mol*s)'), n=2.43019, w0=(301,'kJ/mol'), E0=(65.5986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15964592727057553, var=0.07053058898037745, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9335298571539803"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9335298571539803""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9335298571539803 +""", +) + +entry( + index = 2595, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00232,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2596, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00214,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.4016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2597, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00397,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.6584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2598, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.45116e-05,'m^3/(mol*s)'), n=2.83, w0=(280,'kJ/mol'), E0=(64.89,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28474484329674105, var=0.5573177618225333, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.2120485770307052"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.2120485770307052""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.2120485770307052 +""", +) + +entry( + index = 2599, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H", + kinetics = ArrheniusBM(A=(3.76008e-05,'m^3/(mol*s)'), n=2.87538, w0=(259,'kJ/mol'), E0=(62.9194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_Int-10R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2600, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000203185,'m^3/(mol*s)'), n=2.7789, w0=(259,'kJ/mol'), E0=(66.908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2601, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00150457,'m^3/(mol*s)'), n=2.43012, w0=(301,'kJ/mol'), E0=(68.1672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15607272117858098, var=0.07243304259181592, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.9316846349510214"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.9316846349510214""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.9316846349510214 +""", +) + +entry( + index = 2602, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00184,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.7048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2603, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.9869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-8R!H-R_Ext-9R!H-R_N-Sp-7R!H=2R!H_N-Sp-5R!H=4R!H_N-1R!H-inRing_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2604, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00141652,'m^3/(mol*s)'), n=2.45623, w0=(301,'kJ/mol'), E0=(73.802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1307424088257761, var=0.12521743771581684, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.0378955934255865"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0378955934255865""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.0378955934255865 +""", +) + +entry( + index = 2605, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00352,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.9291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2606, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00138082,'m^3/(mol*s)'), n=2.42589, w0=(301,'kJ/mol'), E0=(72.6892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09811393645681699, var=0.07449000002518089, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.7936668904039239"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7936668904039239""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7936668904039239 +""", +) + +entry( + index = 2607, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00163,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.1767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2608, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00151,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2609, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00395,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.6305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2610, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0014998,'m^3/(mol*s)'), n=2.42981, w0=(301,'kJ/mol'), E0=(70.1219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016221483924090733, var=0.07364033500213692, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5847774986180413"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5847774986180413""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5847774986180413 +""", +) + +entry( + index = 2611, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00183,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.6591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2612, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00169,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.9368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2613, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(2.0603e-20,'m^3/(mol*s)'), n=7.37188, w0=(300.852,'kJ/mol'), E0=(17.478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4161614592809219, var=2.5944177025948685, Tref=1000.0, N=250, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 250 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 4.274697934490713"""), + rank = 11, + shortDesc = """BM rule fitted to 250 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.274697934490713""", + longDesc = +""" +BM rule fitted to 250 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 4.274697934490713 +""", +) + +entry( + index = 2614, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.00479e-10,'m^3/(mol*s)'), n=4.31602, w0=(301,'kJ/mol'), E0=(52.3804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3227689216908587, var=2.693397796929783, Tref=1000.0, N=134, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 134 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.101063110692033"""), + rank = 11, + shortDesc = """BM rule fitted to 134 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.101063110692033""", + longDesc = +""" +BM rule fitted to 134 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.101063110692033 +""", +) + +entry( + index = 2615, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.22351e-05,'m^3/(mol*s)'), n=3.17582, w0=(301,'kJ/mol'), E0=(64.1036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25030801550646625, var=0.9215817192777718, Tref=1000.0, N=120, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.553441198526354"""), + rank = 11, + shortDesc = """BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.553441198526354""", + longDesc = +""" +BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.553441198526354 +""", +) + +entry( + index = 2616, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00154612,'m^3/(mol*s)'), n=2.57649, w0=(301,'kJ/mol'), E0=(71.4403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2035924261473007, var=0.92630761917418, Tref=1000.0, N=84, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.440993552226387"""), + rank = 11, + shortDesc = """BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.440993552226387""", + longDesc = +""" +BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.440993552226387 +""", +) + +entry( + index = 2617, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing", + kinetics = ArrheniusBM(A=(0.000461493,'m^3/(mol*s)'), n=2.62686, w0=(301,'kJ/mol'), E0=(74.6118,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2458740881042021, var=0.3455128850886964, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing + Total Standard Deviation in ln(k): 1.796164267222225"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.796164267222225""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing +Total Standard Deviation in ln(k): 1.796164267222225 +""", +) + +entry( + index = 2618, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000637139,'m^3/(mol*s)'), n=2.63349, w0=(301,'kJ/mol'), E0=(75.3918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2471739943505584, var=0.23019087128998, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.5828762085021322"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5828762085021322""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5828762085021322 +""", +) + +entry( + index = 2619, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0022642,'m^3/(mol*s)'), n=2.54287, w0=(301,'kJ/mol'), E0=(79.7942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29906527021936286, var=0.4005695980268017, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.0202284915403426"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0202284915403426""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.0202284915403426 +""", +) + +entry( + index = 2620, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00942863,'m^3/(mol*s)'), n=2.37564, w0=(301,'kJ/mol'), E0=(80.1146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2779684274959684, var=0.12263551978227792, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.4004584203050612"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4004584203050612""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4004584203050612 +""", +) + +entry( + index = 2621, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.9174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2622, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00547,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7348,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2623, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00577,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2624, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000600771,'m^3/(mol*s)'), n=2.60723, w0=(301,'kJ/mol'), E0=(73.791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2148420885781972, var=0.23712472894298545, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.5160191002131806"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5160191002131806""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5160191002131806 +""", +) + +entry( + index = 2625, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00391927,'m^3/(mol*s)'), n=2.38415, w0=(301,'kJ/mol'), E0=(74.7512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18762344725569485, var=0.08378331153400771, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0516932220323334"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0516932220323334""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0516932220323334 +""", +) + +entry( + index = 2626, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00416458,'m^3/(mol*s)'), n=2.43657, w0=(301,'kJ/mol'), E0=(76.2988,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16820795058373664, var=0.050200942975202535, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8718053013354213"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8718053013354213""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8718053013354213 +""", +) + +entry( + index = 2627, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00536,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.0509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2628, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00496,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.0408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2629, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00197511,'m^3/(mol*s)'), n=2.43595, w0=(301,'kJ/mol'), E0=(73.3084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.053901357135385346, var=0.04938650702207813, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.5809443288693602"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5809443288693602""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5809443288693602 +""", +) + +entry( + index = 2630, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.0553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2631, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00234,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.0401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2632, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00207125,'m^3/(mol*s)'), n=2.43698, w0=(301,'kJ/mol'), E0=(73.2223,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3474023633706657, var=0.052292054738361814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 1.3313021729867305"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 1.3313021729867305""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 1.3313021729867305 +""", +) + +entry( + index = 2633, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.9907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2634, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00247,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.9534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2635, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00238,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.5165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2636, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0022,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.4117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2637, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000406922,'m^3/(mol*s)'), n=2.66273, w0=(301,'kJ/mol'), E0=(76.9398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3064171148203847, var=0.6477275240532439, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.383333532848931"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.383333532848931""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.383333532848931 +""", +) + +entry( + index = 2638, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00397154,'m^3/(mol*s)'), n=2.38953, w0=(301,'kJ/mol'), E0=(77.7367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2779990036081396, var=0.21669203680089266, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.6316979848763438"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.6316979848763438""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.6316979848763438 +""", +) + +entry( + index = 2639, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00545,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.7625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2640, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00258,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.9174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2641, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00272,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.9894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2642, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.34146e-05,'m^3/(mol*s)'), n=2.77536, w0=(301,'kJ/mol'), E0=(70.6316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2262760394444828, var=0.37033035852360535, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.7885097740476557"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.7885097740476557""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.7885097740476557 +""", +) + +entry( + index = 2643, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00156623,'m^3/(mol*s)'), n=2.40486, w0=(301,'kJ/mol'), E0=(72.4999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18738303108937596, var=0.13124131959091168, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.197071900644209"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.197071900644209""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.197071900644209 +""", +) + +entry( + index = 2644, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00197295,'m^3/(mol*s)'), n=2.43609, w0=(301,'kJ/mol'), E0=(73.3925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1671853382652857, var=0.05510826317208963, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8906782152170598"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8906782152170598""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8906782152170598 +""", +) + +entry( + index = 2645, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00253,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2646, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00234,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.1572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2647, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00092823,'m^3/(mol*s)'), n=2.43654, w0=(301,'kJ/mol'), E0=(71.6527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04823709352404597, var=0.058493216197658154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.6060513399879907"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.6060513399879907""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.6060513399879907 +""", +) + +entry( + index = 2648, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0012,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2649, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.4093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2650, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000989423,'m^3/(mol*s)'), n=2.43547, w0=(301,'kJ/mol'), E0=(71.6084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3488241677927279, var=0.050672135117622, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 1.3277179615899468"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.3277179615899468""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.3277179615899468 +""", +) + +entry( + index = 2651, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2652, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.3451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2653, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00112,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.2151,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2654, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00104,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.1309,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_8R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2655, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing", + kinetics = ArrheniusBM(A=(2.52489e-06,'m^3/(mol*s)'), n=3.41504, w0=(301,'kJ/mol'), E0=(61.9093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2565839586134639, var=0.34246592151568916, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing + Total Standard Deviation in ln(k): 1.817866067425904"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.817866067425904""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing +Total Standard Deviation in ln(k): 1.817866067425904 +""", +) + +entry( + index = 2656, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(5.96892e-06,'m^3/(mol*s)'), n=3.32895, w0=(301,'kJ/mol'), E0=(63.4673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27202378326585347, var=0.19576519188184036, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.5704791028635143"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5704791028635143""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5704791028635143 +""", +) + +entry( + index = 2657, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.00122965,'m^3/(mol*s)'), n=2.75196, w0=(301,'kJ/mol'), E0=(78.229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34178010205984055, var=0.2541473164806261, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 1.8693915857184742"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.8693915857184742""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 1.8693915857184742 +""", +) + +entry( + index = 2658, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00394864,'m^3/(mol*s)'), n=2.67371, w0=(301,'kJ/mol'), E0=(83.7367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3995575268427929, var=0.4826639709819237, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.3966834694138335"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.3966834694138335""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.3966834694138335 +""", +) + +entry( + index = 2659, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0337354,'m^3/(mol*s)'), n=2.41699, w0=(301,'kJ/mol'), E0=(85.1232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3776814404068258, var=0.3676648764261571, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.1645269850584303"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.1645269850584303""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.1645269850584303 +""", +) + +entry( + index = 2660, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0578,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.5496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2661, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0273,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(85.2408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2662, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0288,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.7795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2663, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000771866,'m^3/(mol*s)'), n=2.77644, w0=(301,'kJ/mol'), E0=(75.4779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3104986671318563, var=0.277227459144681, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.835688415986703"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.835688415986703""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.835688415986703 +""", +) + +entry( + index = 2664, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0116096,'m^3/(mol*s)'), n=2.44945, w0=(301,'kJ/mol'), E0=(77.8306,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2833599278378528, var=0.19406945625927477, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.5951118762665337"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5951118762665337""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5951118762665337 +""", +) + +entry( + index = 2665, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0203261,'m^3/(mol*s)'), n=2.43958, w0=(301,'kJ/mol'), E0=(78.3368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27421557770854105, var=0.026336463315272535, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.0143225555983628"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0143225555983628""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.0143225555983628 +""", +) + +entry( + index = 2666, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0268,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.3481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2667, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0248,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.9297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2668, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00944131,'m^3/(mol*s)'), n=2.44179, w0=(301,'kJ/mol'), E0=(77.9724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16433519828022675, var=0.030045908973214006, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 0.7603983907618108"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 0.7603983907618108""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 0.7603983907618108 +""", +) + +entry( + index = 2669, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0127,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.9832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2670, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0117,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.6116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2671, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0101325,'m^3/(mol*s)'), n=2.43995, w0=(301,'kJ/mol'), E0=(77.4552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4036854960201781, var=0.026025455094269866, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H + Total Standard Deviation in ln(k): 1.3376971849345927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 1.3376971849345927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H +Total Standard Deviation in ln(k): 1.3376971849345927 +""", +) + +entry( + index = 2672, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0134,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.4845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2673, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0124,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.0422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-12R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2674, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0119,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.1555,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2675, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.6693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Ext-10R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2676, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00307735,'m^3/(mol*s)'), n=2.57595, w0=(301,'kJ/mol'), E0=(70.3267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21787998946642476, var=0.252726336632905, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.5552554605237199"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5552554605237199""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5552554605237199 +""", +) + +entry( + index = 2677, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0168021,'m^3/(mol*s)'), n=2.37503, w0=(301,'kJ/mol'), E0=(70.9892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19160855493385712, var=0.08158703499006047, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.054049917045741"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.054049917045741""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.054049917045741 +""", +) + +entry( + index = 2678, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0192796,'m^3/(mol*s)'), n=2.41787, w0=(301,'kJ/mol'), E0=(72.6761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1711491872936512, var=0.004335208647837539, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.562019454756863"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.562019454756863""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.562019454756863 +""", +) + +entry( + index = 2679, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.019,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.6629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2680, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0222,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.8356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2681, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0091259,'m^3/(mol*s)'), n=2.41758, w0=(301,'kJ/mol'), E0=(69.5861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04941572059312995, var=0.0047496762772973366, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.26232222393857274"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.26232222393857274""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.26232222393857274 +""", +) + +entry( + index = 2682, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00896,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2683, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2684, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0096342,'m^3/(mol*s)'), n=2.41768, w0=(301,'kJ/mol'), E0=(69.571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36272837328459556, var=0.005235451984227743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 1.056433282069072"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 1.056433282069072""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 1.056433282069072 +""", +) + +entry( + index = 2685, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00946,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2686, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0111,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2687, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00843,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.2554,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2688, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00985,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.4078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2689, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000690206,'m^3/(mol*s)'), n=2.66133, w0=(301,'kJ/mol'), E0=(63.8891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14184421937799674, var=0.19134808034357167, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.2333308232318894"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2333308232318894""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.2333308232318894 +""", +) + +entry( + index = 2690, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00699997,'m^3/(mol*s)'), n=2.38332, w0=(301,'kJ/mol'), E0=(65.4279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10896688055364855, var=0.07410127369326312, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.8195060760250981"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8195060760250981""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8195060760250981 +""", +) + +entry( + index = 2691, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00660469,'m^3/(mol*s)'), n=2.45049, w0=(301,'kJ/mol'), E0=(66.7894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09431643771099543, var=0.017759685238293205, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5041379345369114"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5041379345369114""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5041379345369114 +""", +) + +entry( + index = 2692, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00658466,'m^3/(mol*s)'), n=2.44109, w0=(301,'kJ/mol'), E0=(65.825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03486759268215491, var=0.04157806492754179, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.49638653358479745"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.49638653358479745""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.49638653358479745 +""", +) + +entry( + index = 2693, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00879,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2694, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00813,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.5589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2695, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0077164,'m^3/(mol*s)'), n=2.44091, w0=(301,'kJ/mol'), E0=(67.937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2195792888655994, var=0.04442582827837166, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.9742534967001686"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9742534967001686""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.9742534967001686 +""", +) + +entry( + index = 2696, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2697, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0095,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.6635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2698, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00309733,'m^3/(mol*s)'), n=2.45143, w0=(301,'kJ/mol'), E0=(63.8623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01595061429353876, var=0.018788941140203685, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.31487148758292177"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.31487148758292177""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.31487148758292177 +""", +) + +entry( + index = 2699, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0030953,'m^3/(mol*s)'), n=2.44181, w0=(301,'kJ/mol'), E0=(62.9039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14709401416758425, var=0.04472793287194124, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.7935639582659025"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7935639582659025""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7935639582659025 +""", +) + +entry( + index = 2700, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00416,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.7371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2701, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00384,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.6638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2702, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00361499,'m^3/(mol*s)'), n=2.4419, w0=(301,'kJ/mol'), E0=(65.0039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11074383974190967, var=0.04853578372488865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.7199107973438567"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7199107973438567""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7199107973438567 +""", +) + +entry( + index = 2703, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00486,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2704, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00449,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.7807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2705, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00325733,'m^3/(mol*s)'), n=2.45193, w0=(301,'kJ/mol'), E0=(63.755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26467757772872247, var=0.01846712003435183, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.9374500714492594"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.9374500714492594""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.9374500714492594 +""", +) + +entry( + index = 2706, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00326047,'m^3/(mol*s)'), n=2.44215, w0=(301,'kJ/mol'), E0=(62.7913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13195836547629727, var=0.044295485877830026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.7534801056325503"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7534801056325503""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.7534801056325503 +""", +) + +entry( + index = 2707, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00439,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.6423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2708, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00406,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.5432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2709, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.0038253,'m^3/(mol*s)'), n=2.4416, w0=(301,'kJ/mol'), E0=(64.912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39391209303159264, var=0.0460519017198277, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.4199391472761487"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.4199391472761487""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.4199391472761487 +""", +) + +entry( + index = 2710, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00513,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.7658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2711, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00474,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-11R!H=6R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2712, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00291841,'m^3/(mol*s)'), n=2.44143, w0=(301,'kJ/mol'), E0=(68.1755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02488620916778981, var=0.03945571645807933, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 0.4607379752088976"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4607379752088976""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 0.4607379752088976 +""", +) + +entry( + index = 2713, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00391,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.0618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2714, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00361,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.8884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2715, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00343122,'m^3/(mol*s)'), n=2.4407, w0=(301,'kJ/mol'), E0=(70.2776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2727762540542273, var=0.040565632676102886, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.0891393955756896"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.0891393955756896""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.0891393955756896 +""", +) + +entry( + index = 2716, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00457,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2717, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.9789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2718, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.73029e-07,'m^3/(mol*s)'), n=3.72739, w0=(301,'kJ/mol'), E0=(61.9788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2963595452861844, var=0.8854903106626042, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.631087598742354"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.631087598742354""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.631087598742354 +""", +) + +entry( + index = 2719, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(1.38689e-21,'m^3/(mol*s)'), n=7.80676, w0=(301,'kJ/mol'), E0=(16.7864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.062031993942402976, var=1.7030444679574621, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 2.77205351051288"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.77205351051288""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.77205351051288 +""", +) + +entry( + index = 2720, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0113112,'m^3/(mol*s)'), n=2.39863, w0=(301,'kJ/mol'), E0=(71.1769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19801896478123446, var=0.2610464959914376, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.5218085559159968"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5218085559159968""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5218085559159968 +""", +) + +entry( + index = 2721, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.7778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2722, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0079,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.8799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2723, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00834,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.5684,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2724, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.00100004,'m^3/(mol*s)'), n=2.72241, w0=(301,'kJ/mol'), E0=(70.4211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19626622795823784, var=0.6145150559280085, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 2.0646633151435267"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.0646633151435267""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 2.0646633151435267 +""", +) + +entry( + index = 2725, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0166422,'m^3/(mol*s)'), n=2.38277, w0=(301,'kJ/mol'), E0=(71.9171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1624088399938436, var=0.22600039401586225, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.3611034188414215"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.3611034188414215""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.3611034188414215 +""", +) + +entry( + index = 2726, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0217,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.8614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2727, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.0667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2728, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.0935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2729, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.26351e-17,'m^3/(mol*s)'), n=6.58786, w0=(301,'kJ/mol'), E0=(20.3516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2545509401379419, var=0.5038181711728386, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.062539194014603"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.062539194014603""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.062539194014603 +""", +) + +entry( + index = 2730, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(6.26861e-18,'m^3/(mol*s)'), n=6.65895, w0=(301,'kJ/mol'), E0=(18.6908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2423626934410534, var=0.43717364965637173, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.9344644501574142"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.9344644501574142""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.9344644501574142 +""", +) + +entry( + index = 2731, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00412375,'m^3/(mol*s)'), n=2.42362, w0=(301,'kJ/mol'), E0=(65.5707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11587115385008717, var=0.1458059965582559, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.056632648438917"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.056632648438917""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.056632648438917 +""", +) + +entry( + index = 2732, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00584744,'m^3/(mol*s)'), n=2.44012, w0=(301,'kJ/mol'), E0=(66.1282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04925386639619039, var=0.04607418671562354, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.5540677824984296"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5540677824984296""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.5540677824984296 +""", +) + +entry( + index = 2733, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00775,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2734, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00716,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.8733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2735, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0027366,'m^3/(mol*s)'), n=2.44123, w0=(301,'kJ/mol'), E0=(65.2353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0004488136046887468, var=0.049623793341708834, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.44771044856191544"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.44771044856191544""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.44771044856191544 +""", +) + +entry( + index = 2736, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00366,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2737, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00338,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.0169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2738, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00289253,'m^3/(mol*s)'), n=2.4412, w0=(301,'kJ/mol'), E0=(64.8706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29488395022129016, var=0.04831560920036532, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 1.1815714943480495"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.1815714943480495""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.1815714943480495 +""", +) + +entry( + index = 2739, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00387,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.7036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2740, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00357,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6207,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2741, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00344,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.8415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2742, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.5468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2743, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H", + kinetics = ArrheniusBM(A=(0.000137966,'m^3/(mol*s)'), n=2.86836, w0=(301,'kJ/mol'), E0=(63.3256,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13161151141248603, var=0.3409642430320566, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H + Total Standard Deviation in ln(k): 1.5012899740036945"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.5012899740036945""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H +Total Standard Deviation in ln(k): 1.5012899740036945 +""", +) + +entry( + index = 2744, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00645411,'m^3/(mol*s)'), n=2.40012, w0=(301,'kJ/mol'), E0=(66.2719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08338996727315859, var=0.13038552614227047, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.9334110375609502"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9334110375609502""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9334110375609502 +""", +) + +entry( + index = 2745, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00753194,'m^3/(mol*s)'), n=2.44062, w0=(301,'kJ/mol'), E0=(67.0474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06548497955684457, var=0.04421448379439341, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.586075588194611"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.586075588194611""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.586075588194611 +""", +) + +entry( + index = 2746, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.01,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.8651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2747, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00928,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.8049,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2748, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00356829,'m^3/(mol*s)'), n=2.44069, w0=(301,'kJ/mol'), E0=(65.367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.045975299057557914, var=0.04418374234259917, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.5369097206234867"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5369097206234867""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5369097206234867 +""", +) + +entry( + index = 2749, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00475,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2750, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00439,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.1119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2751, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00371783,'m^3/(mol*s)'), n=2.44221, w0=(301,'kJ/mol'), E0=(65.2607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23400872314282653, var=0.047990155322181205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 1.0271320221259723"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.0271320221259723""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.0271320221259723 +""", +) + +entry( + index = 2752, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00501,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2753, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00463,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.0317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2754, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00446,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.7255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2755, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00412,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.5732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-8R!H-R_N-8R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-9R!H=8R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2756, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00011074,'m^3/(mol*s)'), n=2.91115, w0=(301,'kJ/mol'), E0=(58.4354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.164006107057294, var=0.5336967075339357, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.8766258078635898"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.8766258078635898""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.8766258078635898 +""", +) + +entry( + index = 2757, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00102965,'m^3/(mol*s)'), n=2.7007, w0=(301,'kJ/mol'), E0=(63.0538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2039055951938944, var=1.0000441954343864, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.517104993038529"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.517104993038529""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.517104993038529 +""", +) + +entry( + index = 2758, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0124688,'m^3/(mol*s)'), n=2.40061, w0=(301,'kJ/mol'), E0=(63.1059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1403083713919007, var=0.10259277883206973, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.9946523974234212"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9946523974234212""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.9946523974234212 +""", +) + +entry( + index = 2759, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0187,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2760, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00885,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.7637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2761, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00934,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.96,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2762, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.06428e-05,'m^3/(mol*s)'), n=2.95257, w0=(301,'kJ/mol'), E0=(56.6531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1362164361683478, var=0.5502560074419068, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.8293496543653707"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8293496543653707""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8293496543653707 +""", +) + +entry( + index = 2763, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00541606,'m^3/(mol*s)'), n=2.40382, w0=(301,'kJ/mol'), E0=(59.1035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04990143163978234, var=0.07908052381132036, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.6891372357094037"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6891372357094037""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6891372357094037 +""", +) + +entry( + index = 2764, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00715291,'m^3/(mol*s)'), n=2.42916, w0=(301,'kJ/mol'), E0=(61.107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.026519062053945136, var=0.07545584712630797, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.6173160526743051"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6173160526743051""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.6173160526743051 +""", +) + +entry( + index = 2765, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00868,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.6264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2766, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00802,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.9258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2767, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00343442,'m^3/(mol*s)'), n=2.42715, w0=(301,'kJ/mol'), E0=(57.7267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11390646834183074, var=0.08389961982483018, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.8668773140239149"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.8668773140239149""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.8668773140239149 +""", +) + +entry( + index = 2768, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0041,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.1724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2769, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00379,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.5823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2770, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00359458,'m^3/(mol*s)'), n=2.42823, w0=(301,'kJ/mol'), E0=(57.852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23919230981388614, var=0.08128512038002991, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 1.1725466091259036"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.1725466091259036""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.1725466091259036 +""", +) + +entry( + index = 2771, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00433,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.3426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2772, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.004,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.6823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2773, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00386,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.1357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2774, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00357,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.2771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2775, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00101165,'m^3/(mol*s)'), n=2.67888, w0=(301,'kJ/mol'), E0=(69.87,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29183592008269366, var=0.8862085828781486, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.6204866616642133"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.6204866616642133""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.6204866616642133 +""", +) + +entry( + index = 2776, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000212464,'m^3/(mol*s)'), n=2.86858, w0=(301,'kJ/mol'), E0=(66.7798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3465352271895786, var=1.943045234755998, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 3.6651550487539306"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 3.6651550487539306""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 3.6651550487539306 +""", +) + +entry( + index = 2777, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.8851e-05,'m^3/(mol*s)'), n=2.98734, w0=(301,'kJ/mol'), E0=(64.6854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3121216194880351, var=3.269559951832876, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.409172014432831"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.409172014432831""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.409172014432831 +""", +) + +entry( + index = 2778, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.2489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2779, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00703,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.163,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2780, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00743,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.8536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2781, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00324492,'m^3/(mol*s)'), n=2.53834, w0=(301,'kJ/mol'), E0=(72.5231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23752469054507686, var=0.7024267265100128, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 2.276982252498751"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 2.276982252498751""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 2.276982252498751 +""", +) + +entry( + index = 2782, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00972347,'m^3/(mol*s)'), n=2.41202, w0=(301,'kJ/mol'), E0=(71.9691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2025742250944313, var=0.38591401541052056, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.754361549358792"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.754361549358792""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.754361549358792 +""", +) + +entry( + index = 2783, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.016,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.269,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2784, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00756,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.9198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2785, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00798,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.7708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2786, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.33201e-05,'m^3/(mol*s)'), n=2.889, w0=(301,'kJ/mol'), E0=(63.6698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21477624441143078, var=0.6550354001527567, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.162156250382142"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.162156250382142""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.162156250382142 +""", +) + +entry( + index = 2787, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(4.07961e-06,'m^3/(mol*s)'), n=3.25982, w0=(301,'kJ/mol'), E0=(58.8763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2846022583803018, var=1.0849644393621745, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 2.803245710842565"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 2.803245710842565""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 2.803245710842565 +""", +) + +entry( + index = 2788, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.95942e-07,'m^3/(mol*s)'), n=3.49011, w0=(301,'kJ/mol'), E0=(55.851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.268454745949803, var=1.4841032374154774, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.1167533799763447"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.1167533799763447""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.1167533799763447 +""", +) + +entry( + index = 2789, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00570405,'m^3/(mol*s)'), n=2.42881, w0=(301,'kJ/mol'), E0=(62.9842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13630189820603686, var=0.0801536509184865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.9100360509644481"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9100360509644481""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9100360509644481 +""", +) + +entry( + index = 2790, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0069,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.4777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2791, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00638,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.8228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2792, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00260772,'m^3/(mol*s)'), n=2.43282, w0=(301,'kJ/mol'), E0=(73.2183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03784605362245762, var=0.05993982232589312, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.5859020701520196"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5859020701520196""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5859020701520196 +""", +) + +entry( + index = 2793, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00326,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.8696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2794, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00301,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2795, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00286469,'m^3/(mol*s)'), n=2.42788, w0=(301,'kJ/mol'), E0=(59.7273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35357093360304476, var=0.08607250441390743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 1.4765206802565536"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.4765206802565536""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.4765206802565536 +""", +) + +entry( + index = 2796, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00344,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1925,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2797, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.5769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2798, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00307,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.8271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2799, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00283,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.9955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2800, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000644286,'m^3/(mol*s)'), n=2.63903, w0=(301,'kJ/mol'), E0=(67.3639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1539965803661986, var=0.4137947909583623, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H + Total Standard Deviation in ln(k): 1.6765096741732868"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.6765096741732868""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H +Total Standard Deviation in ln(k): 1.6765096741732868 +""", +) + +entry( + index = 2801, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00370661,'m^3/(mol*s)'), n=2.43153, w0=(301,'kJ/mol'), E0=(67.6456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11181752019351948, var=0.21828720004846602, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.2175851437805703"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.2175851437805703""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.2175851437805703 +""", +) + +entry( + index = 2802, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0061838,'m^3/(mol*s)'), n=2.42779, w0=(301,'kJ/mol'), E0=(67.9765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0985555642254606, var=0.07923999237383648, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8119519310478052"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8119519310478052""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8119519310478052 +""", +) + +entry( + index = 2803, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00742,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2804, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00686,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.803,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2805, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00292805,'m^3/(mol*s)'), n=2.42758, w0=(301,'kJ/mol'), E0=(67.6533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0612664464493573, var=0.07518675619342502, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.7036382336701172"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.7036382336701172""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.7036382336701172 +""", +) + +entry( + index = 2806, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00351,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.1602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2807, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00324,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.4568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2808, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00307162,'m^3/(mol*s)'), n=2.42826, w0=(301,'kJ/mol'), E0=(67.4023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29320828023006557, var=0.07559721509729712, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 1.287905083446546"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.287905083446546""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.287905083446546 +""", +) + +entry( + index = 2809, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0037,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.9244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2810, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00342,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.2033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_Ext-6R!H-R_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2811, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.4811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2812, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00305,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.6572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2813, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(3.66463e-05,'m^3/(mol*s)'), n=2.5628, w0=(301,'kJ/mol'), E0=(65.9578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41453518926595295, var=0.1584062800281108, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.8394360047322489"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.8394360047322489""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.8394360047322489 +""", +) + +entry( + index = 2814, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0005113,'m^3/(mol*s)'), n=2.189, w0=(301,'kJ/mol'), E0=(67.7293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-5R!H-4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2815, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.000816002,'m^3/(mol*s)'), n=2.63352, w0=(301,'kJ/mol'), E0=(66.4812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23368250386652978, var=0.35313233945400097, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.7784545696369995"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.7784545696369995""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.7784545696369995 +""", +) + +entry( + index = 2816, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00341918,'m^3/(mol*s)'), n=2.52221, w0=(301,'kJ/mol'), E0=(70.3143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2881914616808767, var=0.6008009696939373, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.277996413502184"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.277996413502184""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.277996413502184 +""", +) + +entry( + index = 2817, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00540454,'m^3/(mol*s)'), n=2.47549, w0=(301,'kJ/mol'), E0=(69.6079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23948965221935448, var=0.6948911402635735, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.272882576706268"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.272882576706268""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.272882576706268 +""", +) + +entry( + index = 2818, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0148,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.1161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2819, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.007,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.6885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2820, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00739,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.7354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2821, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000668457,'m^3/(mol*s)'), n=2.62485, w0=(301,'kJ/mol'), E0=(65.1035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20015933039939904, var=0.3549700798795844, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.6973213304288401"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6973213304288401""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6973213304288401 +""", +) + +entry( + index = 2822, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00139946,'m^3/(mol*s)'), n=2.5432, w0=(301,'kJ/mol'), E0=(64.7809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15151667817253484, var=0.34643621906752886, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.5606588372282455"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5606588372282455""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.5606588372282455 +""", +) + +entry( + index = 2823, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00569174,'m^3/(mol*s)'), n=2.42851, w0=(301,'kJ/mol'), E0=(64.8347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16328748058671796, var=0.08025331125732114, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.9781917601898509"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9781917601898509""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.9781917601898509 +""", +) + +entry( + index = 2824, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00687,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.3277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2825, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00635,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Ext-7R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2826, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00269749,'m^3/(mol*s)'), n=2.42821, w0=(301,'kJ/mol'), E0=(64.3992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007269506373249091, var=0.0761345236068311, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 0.5549827374171047"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.5549827374171047""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 0.5549827374171047 +""", +) + +entry( + index = 2827, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00325,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.9093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2828, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.003,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.2105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2829, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00277733,'m^3/(mol*s)'), n=2.43136, w0=(301,'kJ/mol'), E0=(68.1291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25753762395563556, var=0.07299379671741088, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.1887060338562443"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.1887060338562443""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.1887060338562443 +""", +) + +entry( + index = 2830, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00343,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.6946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2831, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00317,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.9445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Ext-6R!H-R_N-Sp-8R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2832, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00305,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.5426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2833, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00282,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2834, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C", + kinetics = ArrheniusBM(A=(9.08288e-21,'m^3/(mol*s)'), n=7.51003, w0=(301,'kJ/mol'), E0=(16.3228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4071422528299067, var=2.389312726463103, Tref=1000.0, N=115, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C',), comment="""BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C + Total Standard Deviation in ln(k): 4.121770058404365"""), + rank = 11, + shortDesc = """BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C +Total Standard Deviation in ln(k): 4.121770058404365""", + longDesc = +""" +BM rule fitted to 115 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C +Total Standard Deviation in ln(k): 4.121770058404365 +""", +) + +entry( + index = 2835, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(7.83649e-10,'m^3/(mol*s)'), n=4.44055, w0=(301,'kJ/mol'), E0=(52.9967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18455267533140934, var=0.7910868904823972, Tref=1000.0, N=97, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R',), comment="""BM rule fitted to 97 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.2467730227461375"""), + rank = 11, + shortDesc = """BM rule fitted to 97 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2467730227461375""", + longDesc = +""" +BM rule fitted to 97 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.2467730227461375 +""", +) + +entry( + index = 2836, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00831121,'m^3/(mol*s)'), n=2.42256, w0=(301,'kJ/mol'), E0=(72.7201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02094028627994246, var=0.7855291689709127, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.8294121563696943"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8294121563696943""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8294121563696943 +""", +) + +entry( + index = 2837, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.000828646,'m^3/(mol*s)'), n=2.60939, w0=(301,'kJ/mol'), E0=(73.3775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.023987024510890197, var=0.2835690466970733, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 1.127814422498039"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.127814422498039""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.127814422498039 +""", +) + +entry( + index = 2838, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000788643,'m^3/(mol*s)'), n=2.66228, w0=(301,'kJ/mol'), E0=(73.6061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02703776408491836, var=0.16251761373314227, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.8761124227211822"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8761124227211822""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.8761124227211822 +""", +) + +entry( + index = 2839, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00310596,'m^3/(mol*s)'), n=2.5052, w0=(301,'kJ/mol'), E0=(73.5886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04454116140217031, var=0.0252843527638937, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.4306864789281614"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4306864789281614""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4306864789281614 +""", +) + +entry( + index = 2840, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00879397,'m^3/(mol*s)'), n=2.4427, w0=(301,'kJ/mol'), E0=(77.9375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.010411690564130337, var=0.030869749270635877, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3783877537588709"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3783877537588709""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3783877537588709 +""", +) + +entry( + index = 2841, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0109,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.2775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2842, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.012,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.2069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2843, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00323376,'m^3/(mol*s)'), n=2.46669, w0=(301,'kJ/mol'), E0=(71.9995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06666066319019967, var=0.012240714774511082, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3892885094296405"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3892885094296405""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3892885094296405 +""", +) + +entry( + index = 2844, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00386193,'m^3/(mol*s)'), n=2.43851, w0=(301,'kJ/mol'), E0=(71.4952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07293030912899262, var=0.04237961530355114, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.5959429573404877"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5959429573404877""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5959429573404877 +""", +) + +entry( + index = 2845, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00505,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2846, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00467,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.2114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2847, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00422452,'m^3/(mol*s)'), n=2.43953, w0=(301,'kJ/mol'), E0=(73.0423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07059375117964335, var=0.03677075425107134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.5617932560028158"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5617932560028158""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5617932560028158 +""", +) + +entry( + index = 2848, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00557,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.9212,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2849, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00515,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.7292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2850, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00827,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.8398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2851, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00293821,'m^3/(mol*s)'), n=2.43808, w0=(301,'kJ/mol'), E0=(76.6945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09444994779754604, var=0.03915115716932551, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6339813669058374"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6339813669058374""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6339813669058374 +""", +) + +entry( + index = 2852, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00383,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.5504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2853, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00354,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.3747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2854, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00103235,'m^3/(mol*s)'), n=2.54878, w0=(301,'kJ/mol'), E0=(71.4913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008208094838947995, var=0.041046229589713344, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.4267800563228108"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4267800563228108""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.4267800563228108 +""", +) + +entry( + index = 2855, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00315777,'m^3/(mol*s)'), n=2.47673, w0=(301,'kJ/mol'), E0=(75.8132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04412930855540257, var=0.10586515571582744, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.76315682943264"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.76315682943264""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.76315682943264 +""", +) + +entry( + index = 2856, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00514,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.0084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2857, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00567,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2858, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00107808,'m^3/(mol*s)'), n=2.50985, w0=(301,'kJ/mol'), E0=(69.9619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016421709054589416, var=0.02671250364276874, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.36891367954260884"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.36891367954260884""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.36891367954260884 +""", +) + +entry( + index = 2859, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00182364,'m^3/(mol*s)'), n=2.43824, w0=(301,'kJ/mol'), E0=(69.4371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02544982881568946, var=0.04649650666640276, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.49622629335444945"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.49622629335444945""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.49622629335444945 +""", +) + +entry( + index = 2860, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00238,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.2252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2861, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0022,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2862, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00199449,'m^3/(mol*s)'), n=2.4395, w0=(301,'kJ/mol'), E0=(71.8409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02540028581773927, var=0.03980333636618067, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.4637799683861167"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.4637799683861167""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.4637799683861167 +""", +) + +entry( + index = 2863, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.6985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2864, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00243,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.5433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2865, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0039,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2866, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00138643,'m^3/(mol*s)'), n=2.43816, w0=(301,'kJ/mol'), E0=(75.8029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006291493494125111, var=0.04148046378538126, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.42410721908180354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.42410721908180354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.42410721908180354 +""", +) + +entry( + index = 2867, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.6425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2868, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.4972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2869, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(2.55375e-06,'m^3/(mol*s)'), n=3.46896, w0=(301,'kJ/mol'), E0=(61.2303,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12173124015063372, var=0.28546093831776376, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.3769581632079724"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.3769581632079724""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.3769581632079724 +""", +) + +entry( + index = 2870, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.66405e-07,'m^3/(mol*s)'), n=3.65707, w0=(301,'kJ/mol'), E0=(60.7005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17361639242515492, var=0.33334373628859854, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.5936744890734025"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5936744890734025""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.5936744890734025 +""", +) + +entry( + index = 2871, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(7.13474e-05,'m^3/(mol*s)'), n=3.16141, w0=(301,'kJ/mol'), E0=(72.9668,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2260431193873613, var=0.14579532382881097, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.33341861512875"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.33341861512875""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.33341861512875 +""", +) + +entry( + index = 2872, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(2.02733e-06,'m^3/(mol*s)'), n=3.61789, w0=(301,'kJ/mol'), E0=(67.1955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23144724883583917, var=0.12777334455105677, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.2981262739432884"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.2981262739432884""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.2981262739432884 +""", +) + +entry( + index = 2873, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.70702e-06,'m^3/(mol*s)'), n=3.60988, w0=(301,'kJ/mol'), E0=(73.202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22696034063073506, var=1.2761341346478898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.8349232861300586"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.8349232861300586""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.8349232861300586 +""", +) + +entry( + index = 2874, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0544,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.2572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2875, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.06,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(90.2403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2876, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(8.88332e-07,'m^3/(mol*s)'), n=3.68702, w0=(301,'kJ/mol'), E0=(63.0972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21040976867390343, var=0.1352274501824377, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.265874707299569"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.265874707299569""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.265874707299569 +""", +) + +entry( + index = 2877, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0185892,'m^3/(mol*s)'), n=2.44298, w0=(301,'kJ/mol'), E0=(73.5868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08377988423767532, var=0.023788842379336386, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.5197051824341795"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5197051824341795""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.5197051824341795 +""", +) + +entry( + index = 2878, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0252,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.6623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2879, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0233,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.2044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2880, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0210394,'m^3/(mol*s)'), n=2.43978, w0=(301,'kJ/mol'), E0=(81.5077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15207126150311193, var=0.016705349276790488, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H + Total Standard Deviation in ln(k): 0.6411989518876716"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.6411989518876716""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H +Total Standard Deviation in ln(k): 0.6411989518876716 +""", +) + +entry( + index = 2881, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0278,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.6702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2882, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0257,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.0178,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-11R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2883, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0413,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(87.2507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2884, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0144485,'m^3/(mol*s)'), n=2.44032, w0=(301,'kJ/mol'), E0=(79.2262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19085017539552027, var=0.020553417504271976, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.7669311589578138"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7669311589578138""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7669311589578138 +""", +) + +entry( + index = 2885, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0192,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.3427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2886, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0177,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.7629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2887, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(7.21498e-06,'m^3/(mol*s)'), n=3.33117, w0=(301,'kJ/mol'), E0=(58.8171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07415244586530936, var=0.09531840822658633, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.805248159502553"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.805248159502553""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.805248159502553 +""", +) + +entry( + index = 2888, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.00858e-05,'m^3/(mol*s)'), n=3.15711, w0=(301,'kJ/mol'), E0=(64.9119,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0935829361112327, var=0.25098270759284963, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.239468680178445"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.239468680178445""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.239468680178445 +""", +) + +entry( + index = 2889, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0180313,'m^3/(mol*s)'), n=2.41873, w0=(301,'kJ/mol'), E0=(68.0291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08571930413227653, var=0.004168381172451381, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.34480684997121014"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.34480684997121014""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.34480684997121014 +""", +) + +entry( + index = 2890, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0179,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.0325,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2891, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0209,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.1893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2892, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0125809,'m^3/(mol*s)'), n=2.47544, w0=(301,'kJ/mol'), E0=(75.2545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1518761517016551, var=0.3096001444754606, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 1.4970675289150295"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.4970675289150295""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 1.4970675289150295 +""", +) + +entry( + index = 2893, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0197,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.6513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2894, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.023,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.1047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2895, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.16922e-06,'m^3/(mol*s)'), n=3.3659, w0=(301,'kJ/mol'), E0=(56.102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05888829640207056, var=0.08792669066546249, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.7424133112366789"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7424133112366789""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.7424133112366789 +""", +) + +entry( + index = 2896, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00594943,'m^3/(mol*s)'), n=2.45599, w0=(301,'kJ/mol'), E0=(61.8566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13102795906419995, var=0.016011875790780825, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.5828912267332871"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5828912267332871""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.5828912267332871 +""", +) + +entry( + index = 2897, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00597176,'m^3/(mol*s)'), n=2.44582, w0=(301,'kJ/mol'), E0=(60.9092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25298239805731676, var=0.0383178716043295, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.028060079861633"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.028060079861633""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.028060079861633 +""", +) + +entry( + index = 2898, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00828,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.8173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2899, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00766,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.6854,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2900, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00702609,'m^3/(mol*s)'), n=2.44499, w0=(301,'kJ/mol'), E0=(63.0113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014600461030916853, var=0.04008561958433676, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.438060473011745"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.438060473011745""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.438060473011745 +""", +) + +entry( + index = 2901, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00968,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.9185,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2902, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00895,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.7744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2903, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00363804,'m^3/(mol*s)'), n=2.52944, w0=(301,'kJ/mol'), E0=(67.9959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0882057909756996, var=0.0936215957321582, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H + Total Standard Deviation in ln(k): 0.8350243380417218"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.8350243380417218""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H +Total Standard Deviation in ln(k): 0.8350243380417218 +""", +) + +entry( + index = 2904, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00664925,'m^3/(mol*s)'), n=2.44463, w0=(301,'kJ/mol'), E0=(69.515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019654798710958772, var=0.029062163267539007, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.3911437019410354"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3911437019410354""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3911437019410354 +""", +) + +entry( + index = 2905, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00914,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.5417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2906, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00844,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.1911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2907, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00774883,'m^3/(mol*s)'), n=2.44513, w0=(301,'kJ/mol'), E0=(68.1845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13736962010254422, var=0.03292424868207758, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.708909786585093"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.708909786585093""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.708909786585093 +""", +) + +entry( + index = 2908, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0107,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.1886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2909, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00987,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.8835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-10R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2910, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.28686e-07,'m^3/(mol*s)'), n=3.74249, w0=(301,'kJ/mol'), E0=(66.546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14806739453399986, var=3.592174365793209, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.1716095139621965"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.1716095139621965""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.1716095139621965 +""", +) + +entry( + index = 2911, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(84.3181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2912, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0159,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.5847,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2913, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.79623e-11,'m^3/(mol*s)'), n=4.71704, w0=(301,'kJ/mol'), E0=(48.1064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22499719433571133, var=0.437324580435318, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.8910613345965057"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8910613345965057""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8910613345965057 +""", +) + +entry( + index = 2914, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0047341,'m^3/(mol*s)'), n=2.44042, w0=(301,'kJ/mol'), E0=(77.0802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05205269326600664, var=0.02491477983973357, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.44722139209608763"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.44722139209608763""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.44722139209608763 +""", +) + +entry( + index = 2915, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00629,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.1032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2916, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00581,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.6794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2917, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00542881,'m^3/(mol*s)'), n=2.44277, w0=(301,'kJ/mol'), E0=(68.0918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14260686054742291, var=0.03435381949592515, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.7298819987891546"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.7298819987891546""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.7298819987891546 +""", +) + +entry( + index = 2918, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00735,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.0458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2919, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00679,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.7779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2920, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.8259e-07,'m^3/(mol*s)'), n=3.6349, w0=(301,'kJ/mol'), E0=(56.2506,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0815959565864682, var=0.16509202705449863, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.0195692639601397"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0195692639601397""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.0195692639601397 +""", +) + +entry( + index = 2921, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(7.496e-06,'m^3/(mol*s)'), n=3.38407, w0=(301,'kJ/mol'), E0=(63.1129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09077898772865761, var=0.43096357439577837, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.5441527035149873"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5441527035149873""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5441527035149873 +""", +) + +entry( + index = 2922, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0201843,'m^3/(mol*s)'), n=2.39503, w0=(301,'kJ/mol'), E0=(67.9332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07225965628196525, var=0.03318764828916102, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.5467690850253907"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5467690850253907""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.5467690850253907 +""", +) + +entry( + index = 2923, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0157,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2924, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0204,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.1952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2925, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0110396,'m^3/(mol*s)'), n=2.48261, w0=(301,'kJ/mol'), E0=(76.153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08583448538015208, var=0.5513653614474745, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 1.704260128817331"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.704260128817331""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.704260128817331 +""", +) + +entry( + index = 2926, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0174,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.0518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2927, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0225,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.6313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2928, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(2.37074e-07,'m^3/(mol*s)'), n=3.71326, w0=(301,'kJ/mol'), E0=(53.051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07293174986098057, var=0.16127280979333, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9883228734963304"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9883228734963304""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9883228734963304 +""", +) + +entry( + index = 2929, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00737219,'m^3/(mol*s)'), n=2.42, w0=(301,'kJ/mol'), E0=(62.0467,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1240725626794571, var=0.019373334031312247, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.590775422989004"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.590775422989004""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.590775422989004 +""", +) + +entry( + index = 2930, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0053165,'m^3/(mol*s)'), n=2.44458, w0=(301,'kJ/mol'), E0=(61.4779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08780040170732888, var=0.0432254868497478, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.6374032814173752"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.6374032814173752""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.6374032814173752 +""", +) + +entry( + index = 2931, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0073,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.3474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2932, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00675,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2933, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00691581,'m^3/(mol*s)'), n=2.44405, w0=(301,'kJ/mol'), E0=(62.1612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1617109892341242, var=0.038055441011069606, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.7973888043037047"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.7973888043037047""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.7973888043037047 +""", +) + +entry( + index = 2934, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00946,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.0672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2935, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00874,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.9033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2936, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00306109,'m^3/(mol*s)'), n=2.54144, w0=(301,'kJ/mol'), E0=(68.9383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.031665268071925365, var=0.1546173967056879, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.8678512482745558"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.8678512482745558""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.8678512482745558 +""", +) + +entry( + index = 2937, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00591531,'m^3/(mol*s)'), n=2.44344, w0=(301,'kJ/mol'), E0=(71.0799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02011247113222713, var=0.030444962448393436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.40032974385803316"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.40032974385803316""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.40032974385803316 +""", +) + +entry( + index = 2938, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00805,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.0736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2939, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00744,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.7577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2940, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00770787,'m^3/(mol*s)'), n=2.44255, w0=(301,'kJ/mol'), E0=(68.7704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02143197609742451, var=0.027360156048558956, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.38545052432125926"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.38545052432125926""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.38545052432125926 +""", +) + +entry( + index = 2941, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0104,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2942, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00964,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.4206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2943, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0116279,'m^3/(mol*s)'), n=2.42932, w0=(301,'kJ/mol'), E0=(75.9523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02524754226415719, var=0.0011406993045228616, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.13114443998282832"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.13114443998282832""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.13114443998282832 +""", +) + +entry( + index = 2944, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0119,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.6727,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2945, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0155,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(77.6125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2946, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00426606,'m^3/(mol*s)'), n=2.45376, w0=(301,'kJ/mol'), E0=(69.4968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.032330568208427855, var=0.008629149196615811, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.2674588678811944"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2674588678811944""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.2674588678811944 +""", +) + +entry( + index = 2947, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00411077,'m^3/(mol*s)'), n=2.44222, w0=(301,'kJ/mol'), E0=(68.3048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0728654037362997, var=0.034101121725099943, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.5532830870922163"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.5532830870922163""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.5532830870922163 +""", +) + +entry( + index = 2948, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00554,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.2372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2949, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00512,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.9973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2950, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00530695,'m^3/(mol*s)'), n=2.44275, w0=(301,'kJ/mol'), E0=(70.9357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0007772193195147279, var=0.033458800971007174, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 0.3686538815039019"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3686538815039019""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 0.3686538815039019 +""", +) + +entry( + index = 2951, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00718,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.8852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2952, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00664,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-5R!H=4R!H_N-Sp-8R!H=7R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2953, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000146627,'m^3/(mol*s)'), n=2.90999, w0=(301,'kJ/mol'), E0=(62.8169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.020794109337803353, var=0.3682493752234214, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 1.2687910034429275"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.2687910034429275""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.2687910034429275 +""", +) + +entry( + index = 2954, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000776296,'m^3/(mol*s)'), n=2.7242, w0=(301,'kJ/mol'), E0=(62.8512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0605540916136942, var=0.3013345013675265, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.2526240960125177"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2526240960125177""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.2526240960125177 +""", +) + +entry( + index = 2955, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000467132,'m^3/(mol*s)'), n=2.80082, w0=(301,'kJ/mol'), E0=(61.1945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1379068060853197, var=0.4226615097289849, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.6498263540691998"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.6498263540691998""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.6498263540691998 +""", +) + +entry( + index = 2956, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00297925,'m^3/(mol*s)'), n=2.63708, w0=(301,'kJ/mol'), E0=(65.8296,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13018779263784078, var=2.0891634416301224, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.224736799990482"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.224736799990482""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.224736799990482 +""", +) + +entry( + index = 2957, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.9991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2958, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0194,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2959, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000355809,'m^3/(mol*s)'), n=2.80129, w0=(301,'kJ/mol'), E0=(59.5537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1567569539865836, var=0.5233794059620611, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.8441865972020177"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8441865972020177""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8441865972020177 +""", +) + +entry( + index = 2960, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00637563,'m^3/(mol*s)'), n=2.43611, w0=(301,'kJ/mol'), E0=(66.8474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14331749027007526, var=0.054210834170431245, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 0.8268610786479244"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.8268610786479244""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 0.8268610786479244 +""", +) + +entry( + index = 2961, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00818,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.5524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2962, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00756,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2963, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00698467,'m^3/(mol*s)'), n=2.43694, w0=(301,'kJ/mol'), E0=(58.8781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.24404927165321397, var=0.06303263809463666, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 1.1165039599341775"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.1165039599341775""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 1.1165039599341775 +""", +) + +entry( + index = 2964, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00902,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.5234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2965, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00834,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-9R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2966, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0134,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2967, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00485581,'m^3/(mol*s)'), n=2.43571, w0=(301,'kJ/mol'), E0=(65.7574,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05409993267901385, var=0.057793023976998585, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.6178713941081205"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6178713941081205""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.6178713941081205 +""", +) + +entry( + index = 2968, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00621,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4455,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2969, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00574,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.535,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2970, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.71537e-06,'m^3/(mol*s)'), n=3.47455, w0=(301,'kJ/mol'), E0=(57.917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.041676272764610146, var=0.45859925043414984, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.4623199749338764"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4623199749338764""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4623199749338764 +""", +) + +entry( + index = 2971, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(4.83322e-05,'m^3/(mol*s)'), n=3.12618, w0=(301,'kJ/mol'), E0=(64.1786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04067256344873438, var=1.0036048471239587, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.1105375790414316"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.1105375790414316""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.1105375790414316 +""", +) + +entry( + index = 2972, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0126457,'m^3/(mol*s)'), n=2.42737, w0=(301,'kJ/mol'), E0=(65.9755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18049957799479377, var=0.4490151004132025, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.7968612168273455"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.7968612168273455""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.7968612168273455 +""", +) + +entry( + index = 2973, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.4887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2974, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0151,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.7673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2975, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000196806,'m^3/(mol*s)'), n=2.95758, w0=(301,'kJ/mol'), E0=(70.0441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0033700882018965162, var=3.65836301827785, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 3.8428938028893107"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 3.8428938028893107""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 3.8428938028893107 +""", +) + +entry( + index = 2976, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0155,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.6202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2977, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0166,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.2859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2978, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(6.10468e-07,'m^3/(mol*s)'), n=3.56958, w0=(301,'kJ/mol'), E0=(55.4174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.053923271916069423, var=0.47959727671457725, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.5238240322711818"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5238240322711818""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.5238240322711818 +""", +) + +entry( + index = 2979, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0042027,'m^3/(mol*s)'), n=2.46389, w0=(301,'kJ/mol'), E0=(61.4281,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23669732378684405, var=0.12629743609696872, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.3071666736657062"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.3071666736657062""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.3071666736657062 +""", +) + +entry( + index = 2980, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00525362,'m^3/(mol*s)'), n=2.43161, w0=(301,'kJ/mol'), E0=(59.0989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.31346092149130433, var=0.0680025942233906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.3103711763876225"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.3103711763876225""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.3103711763876225 +""", +) + +entry( + index = 2981, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0065,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.6612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2982, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00601,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.9198,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2983, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00570773,'m^3/(mol*s)'), n=2.43031, w0=(301,'kJ/mol'), E0=(64.3419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1679682437714015, var=0.06917740559164293, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.9493081237182067"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.9493081237182067""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.9493081237182067 +""", +) + +entry( + index = 2984, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00699,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.8971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2985, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00646,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2986, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H", + kinetics = ArrheniusBM(A=(7.01476e-06,'m^3/(mol*s)'), n=3.27187, w0=(301,'kJ/mol'), E0=(62.0692,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005797947859999112, var=0.8689578334489129, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H + Total Standard Deviation in ln(k): 1.883339804257553"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.883339804257553""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H +Total Standard Deviation in ln(k): 1.883339804257553 +""", +) + +entry( + index = 2987, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00559227,'m^3/(mol*s)'), n=2.43605, w0=(301,'kJ/mol'), E0=(63.6563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1426594422265606, var=0.05673781975307796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.8359627284825009"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.8359627284825009""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.8359627284825009 +""", +) + +entry( + index = 2988, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.3408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2989, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00663,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.4428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2990, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0060506,'m^3/(mol*s)'), n=2.4352, w0=(301,'kJ/mol'), E0=(75.883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.027770309154669454, var=0.05024185054079488, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.5191298784630484"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.5191298784630484""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.5191298784630484 +""", +) + +entry( + index = 2991, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00771,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.6191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2992, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00712,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.611,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-5R!H=4R!H_N-Sp-8R!H=6R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2993, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00274233,'m^3/(mol*s)'), n=2.5205, w0=(301,'kJ/mol'), E0=(69.172,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14039254105788543, var=0.4170044634998482, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.6473204513802988"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6473204513802988""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.6473204513802988 +""", +) + +entry( + index = 2994, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00158917,'m^3/(mol*s)'), n=2.555, w0=(301,'kJ/mol'), E0=(66.0364,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13133517517990267, var=1.4104419841938944, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 2.7108519574670837"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.7108519574670837""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.7108519574670837 +""", +) + +entry( + index = 2995, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0114,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.8216,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2996, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0025491,'m^3/(mol*s)'), n=2.49171, w0=(301,'kJ/mol'), E0=(67.5357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06659398521110102, var=0.21235801074283753, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.0911499806563494"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0911499806563494""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.0911499806563494 +""", +) + +entry( + index = 2997, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00390752,'m^3/(mol*s)'), n=2.43407, w0=(301,'kJ/mol'), E0=(65.195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04953480816093653, var=0.06147918051888973, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.6215332905658772"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.6215332905658772""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.6215332905658772 +""", +) + +entry( + index = 2998, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00493,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 2999, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + entry( index = 3000, - label = "R_R;YJ", - kinetics = ArrheniusEP( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - alpha = 0, - E0 = (0.5, 'kcal/mol'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), - rank = 0, - shortDesc = u"""Default""", + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00425059,'m^3/(mol*s)'), n=2.43257, w0=(301,'kJ/mol'), E0=(70.9278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.070148712256256, var=0.06124641478616334, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 0.6723851436065156"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.6723851436065156""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 0.6723851436065156 +""", +) + +entry( + index = 3001, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0053,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.5642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3002, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0049,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.6977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3003, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0508604,'m^3/(mol*s)'), n=2.34905, w0=(301,'kJ/mol'), E0=(106.393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1424767533215004, var=0.14225492611624518, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 1.1141016546520681"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.1141016546520681""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.1141016546520681 +""", +) + +entry( + index = 3004, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0372538,'m^3/(mol*s)'), n=2.40319, w0=(301,'kJ/mol'), E0=(104.226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13729954844640976, var=0.0013815750907994174, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.41948883089977634"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.41948883089977634""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.41948883089977634 +""", +) + +entry( + index = 3005, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0605,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(109.317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3006, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0262176,'m^3/(mol*s)'), n=2.41333, w0=(301,'kJ/mol'), E0=(101.448,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1169172167726745, var=0.0004724629975843219, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3373372017754049"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3373372017754049""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3373372017754049 +""", +) + +entry( + index = 3007, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.028,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(101.672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3008, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0259,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(101.293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3009, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0472,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(112.388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3010, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0204344,'m^3/(mol*s)'), n=2.41359, w0=(301,'kJ/mol'), E0=(104.762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13041853965839495, var=0.0008498326273485198, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.38612658729247884"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.38612658729247884""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.38612658729247884 +""", +) + +entry( + index = 3011, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0219,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(104.969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3012, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0202,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(104.628,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Ext-2R!H-R_N-Sp-6R!H-1R!H_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3013, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(4.09044e-19,'m^3/(mol*s)'), n=6.7074, w0=(301,'kJ/mol'), E0=(1.14675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6416361169166187, var=2.2490867189953003, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 4.618643306189133"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.618643306189133""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 4.618643306189133 +""", +) + +entry( + index = 3014, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0003343,'m^3/(mol*s)'), n=2.203, w0=(301,'kJ/mol'), E0=(70.1447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3015, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(1.502e-06,'m^3/(mol*s)'), n=3.105, w0=(301,'kJ/mol'), E0=(59.4773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3016, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(9.3e-06,'m^3/(mol*s)'), n=3, w0=(301,'kJ/mol'), E0=(93.0683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_Sp-5R!H-4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3017, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1.27172e-23,'m^3/(mol*s)'), n=8.47256, w0=(301,'kJ/mol'), E0=(21.9165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06758157966142324, var=0.795238664090759, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 1.9575486262142197"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.9575486262142197""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 1.9575486262142197 +""", +) + +entry( + index = 3018, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.02833e-10,'m^3/(mol*s)'), n=4.64908, w0=(301,'kJ/mol'), E0=(81.9753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24368554126510997, var=4.000885130961903, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 4.622188972831168"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.622188972831168""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 4.622188972831168 +""", +) + +entry( + index = 3019, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000256209,'m^3/(mol*s)'), n=2.7943, w0=(301,'kJ/mol'), E0=(65.9876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1821713369163943, var=2.5439995845547596, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 3.6552534031555157"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 3.6552534031555157""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 3.6552534031555157 +""", +) + +entry( + index = 3020, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000171408,'m^3/(mol*s)'), n=2.85749, w0=(301,'kJ/mol'), E0=(64.2307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10368984309354483, var=6.01023703256878, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 5.175292613284295"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.175292613284295""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 5.175292613284295 +""", +) + +entry( + index = 3021, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(6.1e-06,'m^3/(mol*s)'), n=3.06, w0=(301,'kJ/mol'), E0=(64.2768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3022, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.00992195,'m^3/(mol*s)'), n=2.45877, w0=(301,'kJ/mol'), E0=(66.7957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.019258970306772018, var=0.09562759493521725, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 0.6683278696241649"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.6683278696241649""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.6683278696241649 +""", +) + +entry( + index = 3023, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.4996,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3024, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.9571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H-6R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3025, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(2.2887e-05,'m^3/(mol*s)'), n=3.26024, w0=(301,'kJ/mol'), E0=(97.9078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12446425761033114, var=0.019419750030583455, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 0.5920936473707541"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 0.5920936473707541""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 0.5920936473707541 +""", +) + +entry( + index = 3026, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(3.68353e-19,'m^3/(mol*s)'), n=7.08753, w0=(301,'kJ/mol'), E0=(23.851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4042597921425502, var=0.1555464868272268, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.8063832502205788"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8063832502205788""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.8063832502205788 +""", +) + +entry( + index = 3027, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000883916,'m^3/(mol*s)'), n=2.64544, w0=(301,'kJ/mol'), E0=(62.4237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.034099638498222416, var=0.23512015445380158, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 1.0577572838589702"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.0577572838589702""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 1.0577572838589702 +""", +) + +entry( + index = 3028, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00309152,'m^3/(mol*s)'), n=2.50313, w0=(301,'kJ/mol'), E0=(61.9576,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04957292246095895, var=0.023868299244836192, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.43427399461886285"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.43427399461886285""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.43427399461886285 +""", +) + +entry( + index = 3029, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00524457,'m^3/(mol*s)'), n=2.43123, w0=(301,'kJ/mol'), E0=(61.0862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14860085079761493, var=0.06943975624489494, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.9016452181162137"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.9016452181162137""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.9016452181162137 +""", +) + +entry( + index = 3030, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00647,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.6482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3031, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00598,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.9007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3032, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00561551,'m^3/(mol*s)'), n=2.43499, w0=(301,'kJ/mol'), E0=(64.094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0339787434370462, var=0.060736091449951436, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.5794345412341687"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.5794345412341687""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.5794345412341687 +""", +) + +entry( + index = 3033, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00714,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.7545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3034, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0066,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3035, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00491,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.1584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3036, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00454,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.8802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3037, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0178027,'m^3/(mol*s)'), n=2.41366, w0=(301,'kJ/mol'), E0=(107.882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1095494798724154, var=0.0011901964591773582, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H + Total Standard Deviation in ln(k): 0.34441175399867835"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 0.34441175399867835""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H +Total Standard Deviation in ln(k): 0.34441175399867835 +""", +) + +entry( + index = 3038, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0191,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(108.067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3039, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(107.77,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_3R->C_N-Sp-5R!H-4R!H_N-Sp-5R!H=4R!H_N-Sp-6R!H-1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3040, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C", + kinetics = ArrheniusBM(A=(923336,'m^3/(mol*s)'), n=-0.0686357, w0=(264,'kJ/mol'), E0=(2.64,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Ext-1R!H-R_N-6R!H-inRing_N-3R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3041, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.271684,'m^3/(mol*s)'), n=1.70839, w0=(306.139,'kJ/mol'), E0=(74.49,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13595440915660162, var=1.1273855772228434, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 2.470189919235586"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.470189919235586""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.470189919235586 +""", +) + +entry( + index = 3042, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(38.5209,'m^3/(mol*s)'), n=1.06896, w0=(301,'kJ/mol'), E0=(79.2962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13314445810060432, var=1.9998909681625445, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.169580069003595"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.169580069003595""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.169580069003595 +""", +) + +entry( + index = 3043, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.000236006,'m^3/(mol*s)'), n=2.7878, w0=(301,'kJ/mol'), E0=(63.2195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3044, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(2.58852e-05,'m^3/(mol*s)'), n=2.79317, w0=(301,'kJ/mol'), E0=(62.3754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19819195500983788, var=1.241030170390826, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.7312753584323626"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.7312753584323626""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.7312753584323626 +""", +) + +entry( + index = 3045, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.67655e-06,'m^3/(mol*s)'), n=3.00658, w0=(301,'kJ/mol'), E0=(63.0366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14586455040765395, var=0.12795621269019108, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0836069813279599"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0836069813279599""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0836069813279599 +""", +) + +entry( + index = 3046, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(5.65433e-06,'m^3/(mol*s)'), n=2.98647, w0=(301,'kJ/mol'), E0=(62.9898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14523606490054802, var=0.13780372676278832, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.1091109748279986"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1091109748279986""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.1091109748279986 +""", +) + +entry( + index = 3047, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(6.57034e-06,'m^3/(mol*s)'), n=2.98159, w0=(301,'kJ/mol'), E0=(62.9359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14846209426158977, var=0.024589088356887598, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.687381005497733"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.687381005497733""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.687381005497733 +""", +) + +entry( + index = 3048, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6.79847e-06,'m^3/(mol*s)'), n=2.98132, w0=(301,'kJ/mol'), E0=(63.1798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1430198235599818, var=0.045410211867023216, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.7865487588362012"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7865487588362012""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.7865487588362012 +""", +) + +entry( + index = 3049, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(6.1228e-06,'m^3/(mol*s)'), n=2.98587, w0=(301,'kJ/mol'), E0=(63.1082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1300334534544153, var=0.029235385222970697, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 0.6694940036975952"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.6694940036975952""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.6694940036975952 +""", +) + +entry( + index = 3050, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(5.836e-06,'m^3/(mol*s)'), n=2.984, w0=(301,'kJ/mol'), E0=(63.1016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-5R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-6R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3051, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(9.25e-06,'m^3/(mol*s)'), n=2.89, w0=(301,'kJ/mol'), E0=(57.3951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3052, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.773e-06,'m^3/(mol*s)'), n=2.984, w0=(301,'kJ/mol'), E0=(64.3417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_Ext-2R!H-R_N-6R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3053, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C", + kinetics = ArrheniusBM(A=(1.00013e-05,'m^3/(mol*s)'), n=3.01576, w0=(301,'kJ/mol'), E0=(64.1821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21936872062107401, var=0.03347950747651984, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C + Total Standard Deviation in ln(k): 0.917992210959521"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C +Total Standard Deviation in ln(k): 0.917992210959521""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C +Total Standard Deviation in ln(k): 0.917992210959521 +""", +) + +entry( + index = 3054, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.0922e-05,'m^3/(mol*s)'), n=3.00679, w0=(301,'kJ/mol'), E0=(64.1488,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21734375394617522, var=0.0331049030649123, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9108464263212644"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9108464263212644""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9108464263212644 +""", +) + +entry( + index = 3055, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.02426e-05,'m^3/(mol*s)'), n=3.0118, w0=(301,'kJ/mol'), E0=(63.9333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21628374191027905, var=0.04430163574392541, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.965382199291294"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.965382199291294""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.965382199291294 +""", +) + +entry( + index = 3056, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9.66863e-06,'m^3/(mol*s)'), n=3.01125, w0=(301,'kJ/mol'), E0=(63.9239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21626240036326572, var=0.02384804983390962, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.8529603705998002"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8529603705998002""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.8529603705998002 +""", +) + +entry( + index = 3057, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(9.66652e-06,'m^3/(mol*s)'), n=3.012, w0=(301,'kJ/mol'), E0=(63.9275,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21612481080470297, var=0.045021710997629666, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.968398269701245"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.968398269701245""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.968398269701245 +""", +) + +entry( + index = 3058, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(9.08401e-06,'m^3/(mol*s)'), n=3.0105, w0=(301,'kJ/mol'), E0=(64.0146,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2163102094994133, var=0.0003407875247783822, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.5805012629170284"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.5805012629170284""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.5805012629170284 +""", +) + +entry( + index = 3059, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(8.95e-06,'m^3/(mol*s)'), n=3.012, w0=(301,'kJ/mol'), E0=(64.0339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_2R!H->C_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3060, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->C", + kinetics = ArrheniusBM(A=(5.43214e-05,'m^3/(mol*s)'), n=3.00879, w0=(393.5,'kJ/mol'), E0=(42.2778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_Sp-5R!H-4R!H_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3061, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.000143139,'m^3/(mol*s)'), n=2.92454, w0=(303.402,'kJ/mol'), E0=(61.5764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14539520899919478, var=1.2761130170677788, Tref=1000.0, N=41, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 2.629967031401304"""), + rank = 11, + shortDesc = """BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.629967031401304""", + longDesc = +""" +BM rule fitted to 41 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 2.629967031401304 +""", +) + +entry( + index = 3062, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.000714281,'m^3/(mol*s)'), n=2.73765, w0=(301,'kJ/mol'), E0=(61.0482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1052942655183678, var=1.0163605836497198, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.285626318982562"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.285626318982562""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.285626318982562 +""", +) + +entry( + index = 3063, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.71351,'m^3/(mol*s)'), n=1.71934, w0=(301,'kJ/mol'), E0=(77.4674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04126092840161993, var=1.1709703749063525, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.273022258446294"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.273022258446294""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.273022258446294 +""", +) + +entry( + index = 3064, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0126688,'m^3/(mol*s)'), n=2.33442, w0=(301,'kJ/mol'), E0=(74.885,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.025078527954717683, var=0.07607532151641004, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 0.6159524965002969"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 0.6159524965002969""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 0.6159524965002969 +""", +) + +entry( + index = 3065, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00659405,'m^3/(mol*s)'), n=2.4624, w0=(301,'kJ/mol'), E0=(75.3962,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.030429681604114273, var=0.024415036180537118, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.3897025885319403"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.3897025885319403""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.3897025885319403 +""", +) + +entry( + index = 3066, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0172,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(80.1135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3067, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00598757,'m^3/(mol*s)'), n=2.44096, w0=(301,'kJ/mol'), E0=(73.4057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010285756862783709, var=0.031441833079223616, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.3813201288770745"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3813201288770745""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.3813201288770745 +""", +) + +entry( + index = 3068, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00799,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.3627,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3069, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00738,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.0594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3070, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00812,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.4745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3071, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00280995,'m^3/(mol*s)'), n=2.44159, w0=(301,'kJ/mol'), E0=(70.086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012392974980070326, var=0.0357818912158746, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.41035585872125036"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.41035585872125036""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.41035585872125036 +""", +) + +entry( + index = 3072, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00377,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.0084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3073, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00348,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.7751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_6R!H-inRing_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3074, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.333838,'m^3/(mol*s)'), n=2.05352, w0=(301,'kJ/mol'), E0=(72.927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.014250301362172688, var=0.9550223043992359, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.9949369954460587"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9949369954460587""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.9949369954460587 +""", +) + +entry( + index = 3075, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.000655,'m^3/(mol*s)'), n=2.62, w0=(301,'kJ/mol'), E0=(84.2584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3076, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H", + kinetics = ArrheniusBM(A=(0.0349685,'m^3/(mol*s)'), n=2.34821, w0=(301,'kJ/mol'), E0=(68.8104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0021130993778993874, var=0.05025627031744208, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H + Total Standard Deviation in ln(k): 0.4547290067494619"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.4547290067494619""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H +Total Standard Deviation in ln(k): 0.4547290067494619 +""", +) + +entry( + index = 3077, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0701104,'m^3/(mol*s)'), n=2.28256, w0=(301,'kJ/mol'), E0=(71.2617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0017317040149824325, var=0.06636181780687954, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5207865604585824"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5207865604585824""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5207865604585824 +""", +) + +entry( + index = 3078, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.0510923,'m^3/(mol*s)'), n=2.40789, w0=(301,'kJ/mol'), E0=(75.8354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14107922038266094, var=0.004763106592233421, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.4928277225312251"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4928277225312251""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.4928277225312251 +""", +) + +entry( + index = 3079, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0861,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.2873,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3080, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0298442,'m^3/(mol*s)'), n=2.44127, w0=(301,'kJ/mol'), E0=(72.5188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12444916472664835, var=0.013906372223190073, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5490952936227791"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5490952936227791""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5490952936227791 +""", +) + +entry( + index = 3081, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0399,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.7419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3082, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0369,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Ext-8R!H-R_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3083, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00739063,'m^3/(mol*s)'), n=2.58641, w0=(301,'kJ/mol'), E0=(70.184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.021719761579223576, var=0.1946379774700549, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9390171631616637"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9390171631616637""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9390171631616637 +""", +) + +entry( + index = 3084, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0282,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.3143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3085, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.4873,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3086, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00177519,'m^3/(mol*s)'), n=2.66357, w0=(301,'kJ/mol'), E0=(62.3518,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05056890404265682, var=0.03182678028562013, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.48470352335911043"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.48470352335911043""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.48470352335911043 +""", +) + +entry( + index = 3087, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00932881,'m^3/(mol*s)'), n=2.4473, w0=(301,'kJ/mol'), E0=(62.1652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.15104389570443805, var=0.02460061482390144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.6939416155665544"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.6939416155665544""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.6939416155665544 +""", +) + +entry( + index = 3088, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0131,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.2519,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3089, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0121,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8388,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3090, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0112551,'m^3/(mol*s)'), n=2.44356, w0=(301,'kJ/mol'), E0=(67.0966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0048154816201026384, var=0.02141635782588796, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.3054787220455417"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.3054787220455417""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.3054787220455417 +""", +) + +entry( + index = 3091, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0153,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.1766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3092, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0142,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.7117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3093, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0321356,'m^3/(mol*s)'), n=2.39445, w0=(301,'kJ/mol'), E0=(70.0127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02543814565126786, var=0.05768340139336178, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.5453995599374116"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5453995599374116""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.5453995599374116 +""", +) + +entry( + index = 3094, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0249,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.0862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3095, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0323,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.6563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3096, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0126233,'m^3/(mol*s)'), n=2.4101, w0=(301,'kJ/mol'), E0=(63.5059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.002488321684549671, var=0.03964331596612052, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.40540743451250316"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.40540743451250316""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.40540743451250316 +""", +) + +entry( + index = 3097, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0083912,'m^3/(mol*s)'), n=2.44473, w0=(301,'kJ/mol'), E0=(62.7395,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.044806118477597204, var=0.024844451597337273, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.42856699235898155"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.42856699235898155""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.42856699235898155 +""", +) + +entry( + index = 3098, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0115,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.7657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3099, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0107,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.4093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3100, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0105409,'m^3/(mol*s)'), n=2.44871, w0=(301,'kJ/mol'), E0=(63.545,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04080280052790753, var=0.031331768214229117, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.45737338432467084"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.45737338432467084""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.45737338432467084 +""", +) + +entry( + index = 3101, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.61,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3102, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0138,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.2644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H-6R!H_N-Sp-5R!H=4R!H_N-Sp-7R!H=6R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3103, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0014145,'m^3/(mol*s)'), n=2.61489, w0=(301,'kJ/mol'), E0=(63.0634,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4622630802209839, var=1.4932365737855162, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 3.6112123877398514"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.6112123877398514""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 3.6112123877398514 +""", +) + +entry( + index = 3104, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0279,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.1222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3105, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00416124,'m^3/(mol*s)'), n=2.47, w0=(301,'kJ/mol'), E0=(63.9503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22786403166386748, var=9.784973719629, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 6.843522987507813"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 6.843522987507813""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 6.843522987507813 +""", +) + +entry( + index = 3106, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00109222,'m^3/(mol*s)'), n=2.64258, w0=(301,'kJ/mol'), E0=(62.8987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9307439865744616, var=2.327244688598, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 5.3968381432404415"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 5.3968381432404415""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 5.3968381432404415 +""", +) + +entry( + index = 3107, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.000657249,'m^3/(mol*s)'), n=2.75642, w0=(301,'kJ/mol'), E0=(56.6534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14647579260671717, var=0.07953593392714967, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.9334073389811706"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9334073389811706""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.9334073389811706 +""", +) + +entry( + index = 3108, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00984353,'m^3/(mol*s)'), n=2.43915, w0=(301,'kJ/mol'), E0=(58.0097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.048972476900724586, var=0.0504245616026168, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5732179847642227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5732179847642227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5732179847642227 +""", +) + +entry( + index = 3109, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0129,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.7447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3110, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.012,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.8053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3111, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00943339,'m^3/(mol*s)'), n=2.41591, w0=(301,'kJ/mol'), E0=(61.2985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0710627857629072, var=0.00036328318912821753, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 0.21675994193946158"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 0.21675994193946158""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 0.21675994193946158 +""", +) + +entry( + index = 3112, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.3507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3113, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0095,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.3529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3114, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000490043,'m^3/(mol*s)'), n=2.79232, w0=(301,'kJ/mol'), E0=(56.3305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3471474869146459, var=0.19219814911895866, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 1.7511139307526344"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 1.7511139307526344""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 1.7511139307526344 +""", +) + +entry( + index = 3115, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0111,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.5192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3116, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000468857,'m^3/(mol*s)'), n=2.79764, w0=(301,'kJ/mol'), E0=(56.1673,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23337177807481047, var=0.01786652072769457, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 0.854325579161438"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.854325579161438""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_Ext-2R!H-R_N-Sp-5R!H=4R!H_N-Sp-6R!H-2R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 0.854325579161438 +""", +) + +entry( + index = 3117, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C", + kinetics = ArrheniusBM(A=(4.36383e-08,'m^3/(mol*s)'), n=3.90753, w0=(301,'kJ/mol'), E0=(59.1432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5254498724420893, var=1.9662453127812372, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C + Total Standard Deviation in ln(k): 4.131322861336534"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C +Total Standard Deviation in ln(k): 4.131322861336534""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C +Total Standard Deviation in ln(k): 4.131322861336534 +""", +) + +entry( + index = 3118, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(0.00946,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.2116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_Sp-5R!H#4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3119, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H", + kinetics = ArrheniusBM(A=(2.86346e-08,'m^3/(mol*s)'), n=3.95907, w0=(301,'kJ/mol'), E0=(58.9445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4508085727723713, var=1.6982126477327748, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H + Total Standard Deviation in ln(k): 3.745165160398084"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 3.745165160398084""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H +Total Standard Deviation in ln(k): 3.745165160398084 +""", +) + +entry( + index = 3120, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(7.07456e-06,'m^3/(mol*s)'), n=3.26956, w0=(301,'kJ/mol'), E0=(64.1066,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9422881499681324, var=3.7336783181845954, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 6.241253301996698"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 6.241253301996698""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 6.241253301996698 +""", +) + +entry( + index = 3121, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00386232,'m^3/(mol*s)'), n=2.555, w0=(301,'kJ/mol'), E0=(91.5837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14521142239414866, var=2.7489915839050134, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.6887202546064914"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.6887202546064914""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_2R!H->C_N-Sp-5R!H#4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.6887202546064914 +""", +) + +entry( + index = 3122, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->C", + kinetics = ArrheniusBM(A=(130000,'m^3/(mol*s)'), n=2.06216e-09, w0=(399.5,'kJ/mol'), E0=(62.3897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_Sp-4R!H-3R_N-Sp-5R!H-4R!H_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3123, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R", + kinetics = ArrheniusBM(A=(2.40258e+17,'m^3/(mol*s)'), n=-3.08137, w0=(280,'kJ/mol'), E0=(105.515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2182269765482571, var=280.02273246586066, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R + Total Standard Deviation in ln(k): 34.095304760629205"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 34.095304760629205""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R +Total Standard Deviation in ln(k): 34.095304760629205 +""", +) + +entry( + index = 3124, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(54.2568,'m^3/(mol*s)'), n=1.59012, w0=(259,'kJ/mol'), E0=(17.7058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3125, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing", + kinetics = ArrheniusBM(A=(5.205e-05,'m^3/(mol*s)'), n=2.973, w0=(259,'kJ/mol'), E0=(72.6969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3126, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(5.83914e-29,'m^3/(mol*s)'), n=9.42513, w0=(301,'kJ/mol'), E0=(12.0861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6214031667429821, var=41.177789915106175, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing + Total Standard Deviation in ln(k): 14.425684003376151"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing +Total Standard Deviation in ln(k): 14.425684003376151""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing +Total Standard Deviation in ln(k): 14.425684003376151 +""", +) + +entry( + index = 3127, + label = "Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.04e-06,'m^3/(mol*s)'), n=3.05, w0=(301,'kJ/mol'), E0=(123.386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Ext-4R!H-R_N-Sp-2R!H#1R!H_N-Sp-4R!H-3R_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3128, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R", + kinetics = ArrheniusBM(A=(4.19389,'m^3/(mol*s)'), n=1.76036, w0=(299.869,'kJ/mol'), E0=(71.8362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10151511122778119, var=2.139043046412222, Tref=1000.0, N=264, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R',), comment="""BM rule fitted to 264 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R + Total Standard Deviation in ln(k): 3.1870819001854898"""), + rank = 11, + shortDesc = """BM rule fitted to 264 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R +Total Standard Deviation in ln(k): 3.1870819001854898""", + longDesc = +""" +BM rule fitted to 264 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R +Total Standard Deviation in ln(k): 3.1870819001854898 +""", +) + +entry( + index = 3129, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(153.031,'m^3/(mol*s)'), n=1.16366, w0=(301.402,'kJ/mol'), E0=(71.0975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022037706214473284, var=2.3701416358838845, Tref=1000.0, N=230, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H',), comment="""BM rule fitted to 230 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.1417137626360803"""), + rank = 11, + shortDesc = """BM rule fitted to 230 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.1417137626360803""", + longDesc = +""" +BM rule fitted to 230 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.1417137626360803 +""", +) + +entry( + index = 3130, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C", + kinetics = ArrheniusBM(A=(77.3792,'m^3/(mol*s)'), n=1.24899, w0=(301,'kJ/mol'), E0=(69.9113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02821839893876885, var=2.360387306148194, Tref=1000.0, N=229, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C',), comment="""BM rule fitted to 229 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C + Total Standard Deviation in ln(k): 3.150885664264357"""), + rank = 11, + shortDesc = """BM rule fitted to 229 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C +Total Standard Deviation in ln(k): 3.150885664264357""", + longDesc = +""" +BM rule fitted to 229 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C +Total Standard Deviation in ln(k): 3.150885664264357 +""", +) + +entry( + index = 3131, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.58648,'m^3/(mol*s)'), n=1.61024, w0=(301,'kJ/mol'), E0=(65.312,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08782435231735669, var=2.6909761355607165, Tref=1000.0, N=206, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R',), comment="""BM rule fitted to 206 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.509270714837397"""), + rank = 11, + shortDesc = """BM rule fitted to 206 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.509270714837397""", + longDesc = +""" +BM rule fitted to 206 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.509270714837397 +""", +) + +entry( + index = 3132, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00512641,'m^3/(mol*s)'), n=2.42326, w0=(301,'kJ/mol'), E0=(48.2272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7837337452902932, var=8.455757054931007, Tref=1000.0, N=46, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing',), comment="""BM rule fitted to 46 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 7.798706185429314"""), + rank = 11, + shortDesc = """BM rule fitted to 46 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 7.798706185429314""", + longDesc = +""" +BM rule fitted to 46 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 7.798706185429314 +""", +) + +entry( + index = 3133, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.176332,'m^3/(mol*s)'), n=2.07309, w0=(301,'kJ/mol'), E0=(18.3615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2914906513791331, var=4.947132804392673, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 5.19135059893574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 5.19135059893574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 5.19135059893574 +""", +) + +entry( + index = 3134, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(8.57964,'m^3/(mol*s)'), n=1.44852, w0=(301,'kJ/mol'), E0=(41.1419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3135, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(11.2765,'m^3/(mol*s)'), n=1.69686, w0=(301,'kJ/mol'), E0=(51.6526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_1R!H-inRing_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3136, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(405.834,'m^3/(mol*s)'), n=0.891389, w0=(301,'kJ/mol'), E0=(83.3328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.028186312541823407, var=0.6208766388864387, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.6504654333884654"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.6504654333884654""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.6504654333884654 +""", +) + +entry( + index = 3137, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(493.255,'m^3/(mol*s)'), n=0.868904, w0=(301,'kJ/mol'), E0=(83.5489,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03847710442901085, var=0.6722325266855699, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.7403541732104368"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.7403541732104368""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.7403541732104368 +""", +) + +entry( + index = 3138, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(6465.57,'m^3/(mol*s)'), n=0.551514, w0=(301,'kJ/mol'), E0=(87.2764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04907024260836319, var=0.8682689335481933, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.9913232453988117"""), + rank = 11, + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.9913232453988117""", + longDesc = +""" +BM rule fitted to 28 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.9913232453988117 +""", +) + +entry( + index = 3139, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.234847,'m^3/(mol*s)'), n=1.72351, w0=(301,'kJ/mol'), E0=(79.5745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0656278722316068, var=0.17239673095893648, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 0.9972738943556365"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 0.9972738943556365""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 0.9972738943556365 +""", +) + +entry( + index = 3140, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0521009,'m^3/(mol*s)'), n=1.95765, w0=(301,'kJ/mol'), E0=(77.7393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08517686858905284, var=0.09057885520215694, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 0.8173637414861218"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.8173637414861218""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.8173637414861218 +""", +) + +entry( + index = 3141, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00391727,'m^3/(mol*s)'), n=2.27246, w0=(301,'kJ/mol'), E0=(75.5385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17297058972267024, var=0.03932606049792658, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.8321544634333224"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8321544634333224""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8321544634333224 +""", +) + +entry( + index = 3142, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000945,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3143, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00106,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.2887,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3144, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00168165,'m^3/(mol*s)'), n=2.2841, w0=(301,'kJ/mol'), E0=(73.5536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17584233543496425, var=0.03184019619088033, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.7995362597681829"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7995362597681829""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.7995362597681829 +""", +) + +entry( + index = 3145, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000445,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.5474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3146, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0005,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.7557,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3147, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(356.438,'m^3/(mol*s)'), n=0.952156, w0=(301,'kJ/mol'), E0=(80.1173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.026811834092290224, var=0.1449223641090426, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 0.8305423997585756"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.8305423997585756""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.8305423997585756 +""", +) + +entry( + index = 3148, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(684.46,'m^3/(mol*s)'), n=0.891895, w0=(301,'kJ/mol'), E0=(81.3889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017319500063313446, var=0.14601421278767682, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 0.8095618130533099"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.8095618130533099""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.8095618130533099 +""", +) + +entry( + index = 3149, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.99987,'m^3/(mol*s)'), n=1.65351, w0=(301,'kJ/mol'), E0=(75.8652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0642007320759994, var=0.27485227188806594, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.212317904414663"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.212317904414663""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.212317904414663 +""", +) + +entry( + index = 3150, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0931748,'m^3/(mol*s)'), n=2.07832, w0=(301,'kJ/mol'), E0=(72.6605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12972144079613362, var=0.2762928628373814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.3796935439431532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3796935439431532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3796935439431532 +""", +) + +entry( + index = 3151, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00472,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8367,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3152, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00403069,'m^3/(mol*s)'), n=2.44407, w0=(301,'kJ/mol'), E0=(51.2528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3153, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.017827,'m^3/(mol*s)'), n=2.15523, w0=(301,'kJ/mol'), E0=(65.2298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10767123584611277, var=0.04053212050943695, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.6741358494901253"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6741358494901253""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.6741358494901253 +""", +) + +entry( + index = 3154, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00143467,'m^3/(mol*s)'), n=2.42927, w0=(301,'kJ/mol'), E0=(59.2772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15014329694343054, var=0.03906142370498526, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.7734595654441243"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.7734595654441243""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.7734595654441243 +""", +) + +entry( + index = 3155, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00155,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3156, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00181,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.9105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3157, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00292,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.0745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3158, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00342,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.9101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3159, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00197887,'m^3/(mol*s)'), n=2.40358, w0=(301,'kJ/mol'), E0=(53.5802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.045129087603795005, var=0.006361083762908292, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.27328012537588453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.27328012537588453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.27328012537588453 +""", +) + +entry( + index = 3160, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00174,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.2276,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3161, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00203,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.6874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3162, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00328,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.4218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3163, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00383,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.7338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3164, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.0103955,'m^3/(mol*s)'), n=2.21286, w0=(301,'kJ/mol'), E0=(65.4536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06950699591108783, var=0.11974993686542096, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.8683773386980929"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8683773386980929""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.8683773386980929 +""", +) + +entry( + index = 3165, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000521566,'m^3/(mol*s)'), n=2.54565, w0=(301,'kJ/mol'), E0=(58.7833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10701596485383652, var=0.3238158102616349, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.4096751441625157"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.4096751441625157""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.4096751441625157 +""", +) + +entry( + index = 3166, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.6423,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3167, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00177,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.6973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3168, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00257,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.5221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3169, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00334,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.536,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3170, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00597277,'m^3/(mol*s)'), n=2.25689, w0=(301,'kJ/mol'), E0=(58.2021,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07032555203710192, var=0.12850711953007626, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 0.8953525860691678"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.8953525860691678""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.8953525860691678 +""", +) + +entry( + index = 3171, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.6811,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3172, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00199,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.6288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3173, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00289,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.6621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3174, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00375,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.6505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3175, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.73611e-05,'m^3/(mol*s)'), n=2.842, w0=(301,'kJ/mol'), E0=(63.8138,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.150865430254735, var=0.39351156991891667, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.6366392187272534"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.6366392187272534""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.6366392187272534 +""", +) + +entry( + index = 3176, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00364884,'m^3/(mol*s)'), n=2.3412, w0=(301,'kJ/mol'), E0=(65.1653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10509012146951954, var=0.006857302509653645, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R + Total Standard Deviation in ln(k): 0.4300552997728487"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.4300552997728487""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.4300552997728487 +""", +) + +entry( + index = 3177, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.8024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3178, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.1165e-05,'m^3/(mol*s)'), n=2.99849, w0=(301,'kJ/mol'), E0=(61.8591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2004761614413025, var=1.348464378182205, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 2.831675459995785"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.831675459995785""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 2.831675459995785 +""", +) + +entry( + index = 3179, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.9324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3180, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.4734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3181, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00229,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.3102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3182, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00246,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.5255,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-1R!H-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3183, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00842691,'m^3/(mol*s)'), n=2.25166, w0=(301,'kJ/mol'), E0=(64.8855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009499019047812245, var=0.11772956381248846, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 0.7117264092912196"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.7117264092912196""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 0.7117264092912196 +""", +) + +entry( + index = 3184, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.1113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3185, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000862339,'m^3/(mol*s)'), n=2.47153, w0=(301,'kJ/mol'), E0=(64.9487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06338008512604527, var=0.3469698489144568, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.3401185343905442"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3401185343905442""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3401185343905442 +""", +) + +entry( + index = 3186, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8848,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3187, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00147,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.3592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3188, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00257,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.8851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3189, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00277,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.392,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-2C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3190, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.00255163,'m^3/(mol*s)'), n=2.35658, w0=(301,'kJ/mol'), E0=(70.4429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17539336956324836, var=0.00294034211751518, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 0.5493934605069538"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.5493934605069538""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 0.5493934605069538 +""", +) + +entry( + index = 3191, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.2056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3192, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_5R!H-inRing_N-1R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3193, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(161.758,'m^3/(mol*s)'), n=1.13767, w0=(301,'kJ/mol'), E0=(73.752,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011839139166081196, var=0.8671401158115553, Tref=1000.0, N=160, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 160 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 1.8965630708894885"""), + rank = 11, + shortDesc = """BM rule fitted to 160 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.8965630708894885""", + longDesc = +""" +BM rule fitted to 160 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 1.8965630708894885 +""", +) + +entry( + index = 3194, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1107.8,'m^3/(mol*s)'), n=0.867872, w0=(301,'kJ/mol'), E0=(77.0311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.042098679164349666, var=0.7527123938779839, Tref=1000.0, N=88, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.8450636651548356"""), + rank = 11, + shortDesc = """BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8450636651548356""", + longDesc = +""" +BM rule fitted to 88 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8450636651548356 +""", +) + +entry( + index = 3195, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(1256.55,'m^3/(mol*s)'), n=0.85398, w0=(301,'kJ/mol'), E0=(77.0643,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03938838252749272, var=0.8044325964401412, Tref=1000.0, N=80, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R',), comment="""BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R + Total Standard Deviation in ln(k): 1.89701601377585"""), + rank = 11, + shortDesc = """BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 1.89701601377585""", + longDesc = +""" +BM rule fitted to 80 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 1.89701601377585 +""", +) + +entry( + index = 3196, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(9595.88,'m^3/(mol*s)'), n=0.603839, w0=(301,'kJ/mol'), E0=(79.4791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.017987738064253266, var=0.9392752924190874, Tref=1000.0, N=56, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.9881086996492492"""), + rank = 11, + shortDesc = """BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.9881086996492492""", + longDesc = +""" +BM rule fitted to 56 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.9881086996492492 +""", +) + +entry( + index = 3197, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(0.0287424,'m^3/(mol*s)'), n=2.08635, w0=(301,'kJ/mol'), E0=(67.5054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14892760294009807, var=0.28269139530450477, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 1.4400821571128222"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.4400821571128222""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 1.4400821571128222 +""", +) + +entry( + index = 3198, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00423194,'m^3/(mol*s)'), n=2.37153, w0=(301,'kJ/mol'), E0=(64.4233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15983312413816494, var=0.1862878077239907, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.2668559006392721"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.2668559006392721""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.2668559006392721 +""", +) + +entry( + index = 3199, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00066668,'m^3/(mol*s)'), n=2.56207, w0=(301,'kJ/mol'), E0=(59.4226,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1971351327458057, var=0.24650546929225087, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.4906516803678724"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.4906516803678724""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.4906516803678724 +""", +) + +entry( + index = 3200, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00916343,'m^3/(mol*s)'), n=2.24616, w0=(301,'kJ/mol'), E0=(63.2739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1921986870268596, var=0.26597515291618756, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.516808864038659"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.516808864038659""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.516808864038659 +""", +) + +entry( + index = 3201, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00398,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3202, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00188,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.9096,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3203, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00198,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.8658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3204, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00403323,'m^3/(mol*s)'), n=2.42719, w0=(301,'kJ/mol'), E0=(65.5114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12140898808155513, var=0.3388319226448772, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.471989382107995"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.471989382107995""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.471989382107995 +""", +) + +entry( + index = 3205, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0075,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.3742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3206, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00354,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9203,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3207, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00374,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.9339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3208, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.69648e-05,'m^3/(mol*s)'), n=2.7745, w0=(301,'kJ/mol'), E0=(55.2051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18308383934102826, var=0.295592784806887, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.5499529412360835"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.5499529412360835""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.5499529412360835 +""", +) + +entry( + index = 3209, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00412184,'m^3/(mol*s)'), n=2.25197, w0=(301,'kJ/mol'), E0=(61.6121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1999189155600206, var=0.26011577347026704, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.5247547236635792"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5247547236635792""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5247547236635792 +""", +) + +entry( + index = 3210, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00187,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.9067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3211, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000886,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.3739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3212, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000936,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.3939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3213, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00190045,'m^3/(mol*s)'), n=2.42725, w0=(301,'kJ/mol'), E0=(64.0236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12463923684441565, var=0.34122556683551714, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.4842202022965447"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4842202022965447""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.4842202022965447 +""", +) + +entry( + index = 3214, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00354,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8522,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3215, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.4107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3216, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.4818,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3217, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(313.862,'m^3/(mol*s)'), n=1.06944, w0=(301,'kJ/mol'), E0=(71.0767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.029376671369700492, var=0.2728129673802953, Tref=1000.0, N=40, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 1.1209139496845069"""), + rank = 11, + shortDesc = """BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.1209139496845069""", + longDesc = +""" +BM rule fitted to 40 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 1.1209139496845069 +""", +) + +entry( + index = 3218, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(3896.69,'m^3/(mol*s)'), n=0.776944, w0=(301,'kJ/mol'), E0=(75.0139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02701987051240469, var=0.19293923234211988, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 0.9484659692132342"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.9484659692132342""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.9484659692132342 +""", +) + +entry( + index = 3219, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(0.0169379,'m^3/(mol*s)'), n=2.42133, w0=(301,'kJ/mol'), E0=(54.3857,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18121720272291275, var=0.19136635378373457, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.3322997891771873"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.3322997891771873""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.3322997891771873 +""", +) + +entry( + index = 3220, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.342591,'m^3/(mol*s)'), n=1.98556, w0=(301,'kJ/mol'), E0=(56.1683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11685297587065127, var=0.1557883160059524, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.0848699508908275"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0848699508908275""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0848699508908275 +""", +) + +entry( + index = 3221, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0579357,'m^3/(mol*s)'), n=2.21696, w0=(301,'kJ/mol'), E0=(50.2718,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14264468400739608, var=0.2070885455102604, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2706981692490074"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2706981692490074""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2706981692490074 +""", +) + +entry( + index = 3222, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0618622,'m^3/(mol*s)'), n=2.26887, w0=(301,'kJ/mol'), E0=(52.186,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3223, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0354948,'m^3/(mol*s)'), n=2.24454, w0=(301,'kJ/mol'), E0=(48.8911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3224, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0885621,'m^3/(mol*s)'), n=2.13748, w0=(301,'kJ/mol'), E0=(49.7383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3225, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.024869,'m^3/(mol*s)'), n=2.41934, w0=(301,'kJ/mol'), E0=(55.7037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1382566095026514, var=0.20403989125189648, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2529327866406075"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2529327866406075""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2529327866406075 +""", +) + +entry( + index = 3226, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0512759,'m^3/(mol*s)'), n=2.37107, w0=(301,'kJ/mol'), E0=(55.369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3227, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0294294,'m^3/(mol*s)'), n=2.34674, w0=(301,'kJ/mol'), E0=(52.0741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3228, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0735065,'m^3/(mol*s)'), n=2.23967, w0=(301,'kJ/mol'), E0=(52.9213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3229, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0101098,'m^3/(mol*s)'), n=2.29494, w0=(301,'kJ/mol'), E0=(48.4537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10068633328727332, var=0.13944792984821283, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.0016034943113612"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0016034943113612""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.0016034943113612 +""", +) + +entry( + index = 3230, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.11163,'m^3/(mol*s)'), n=2.0063, w0=(301,'kJ/mol'), E0=(53.2966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10539946419765996, var=0.1366486017020411, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0058933765491669"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0058933765491669""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0058933765491669 +""", +) + +entry( + index = 3231, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00261729,'m^3/(mol*s)'), n=2.53327, w0=(301,'kJ/mol'), E0=(45.0644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10630723434820609, var=0.03850787368231816, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.6605012515206615"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6605012515206615""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6605012515206615 +""", +) + +entry( + index = 3232, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00652,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.4553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3233, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00762,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.2815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3234, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00375451,'m^3/(mol*s)'), n=2.39506, w0=(301,'kJ/mol'), E0=(45.7396,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04926830929546654, var=0.006656736269772967, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 0.2873537000803228"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.2873537000803228""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.2873537000803228 +""", +) + +entry( + index = 3235, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00308,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.0742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3236, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0036,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.7506,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3237, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00236627,'m^3/(mol*s)'), n=2.45921, w0=(301,'kJ/mol'), E0=(42.6515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1283637750448003, var=0.019722753748474438, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 0.6040624752477992"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.6040624752477992""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.6040624752477992 +""", +) + +entry( + index = 3238, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00325,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.0199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3239, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0038,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3240, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0029,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.4206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3241, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00339,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.2431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3242, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0522216,'m^3/(mol*s)'), n=2.17984, w0=(301,'kJ/mol'), E0=(54.945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.057214642643189526, var=0.16247188145302907, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.951820007376651"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.951820007376651""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.951820007376651 +""", +) + +entry( + index = 3243, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00571239,'m^3/(mol*s)'), n=2.51524, w0=(301,'kJ/mol'), E0=(50.0117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.068826488419521, var=0.045038475806725, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.5983811730016959"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5983811730016959""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.5983811730016959 +""", +) + +entry( + index = 3244, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0123,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.8725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3245, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0144,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.4578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3246, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00683342,'m^3/(mol*s)'), n=2.39951, w0=(301,'kJ/mol'), E0=(50.8801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.009879530616289631, var=0.007136515315582828, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.19417874740433802"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.19417874740433802""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.19417874740433802 +""", +) + +entry( + index = 3247, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00581,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.3871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3248, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00679,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.9447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3249, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00775431,'m^3/(mol*s)'), n=2.3905, w0=(301,'kJ/mol'), E0=(49.4264,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10323962075888708, var=0.007234287479714554, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.4299080016166681"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.4299080016166681""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.4299080016166681 +""", +) + +entry( + index = 3250, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00613,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3251, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00717,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.1595,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3252, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00546,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.8451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3253, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00639,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.5048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3254, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000139946,'m^3/(mol*s)'), n=2.81818, w0=(301,'kJ/mol'), E0=(32.2254,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0009886249457081505, var=0.2311644296818544, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 0.9663518298131769"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.9663518298131769""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.9663518298131769 +""", +) + +entry( + index = 3255, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(9.11853e-05,'m^3/(mol*s)'), n=2.85529, w0=(301,'kJ/mol'), E0=(34.91,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0546188979542258, var=0.35559960078935543, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.3327004932843605"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.3327004932843605""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.3327004932843605 +""", +) + +entry( + index = 3256, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.129219,'m^3/(mol*s)'), n=1.96264, w0=(301,'kJ/mol'), E0=(56.205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11120563967896245, var=0.19045478735841279, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1543001149239447"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1543001149239447""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1543001149239447 +""", +) + +entry( + index = 3257, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00574,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.22,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3258, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00271,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.7765,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3259, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00287,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.4331,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3260, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00104712,'m^3/(mol*s)'), n=2.58395, w0=(301,'kJ/mol'), E0=(43.5416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03291175599499852, var=0.23987097675210964, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0645444294490671"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0645444294490671""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0645444294490671 +""", +) + +entry( + index = 3261, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.114644,'m^3/(mol*s)'), n=2.00989, w0=(301,'kJ/mol'), E0=(53.9427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08523833371844786, var=0.24017637782816273, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1966430852882468"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1966430852882468""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1966430852882468 +""", +) + +entry( + index = 3262, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00744,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.0628,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3263, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00352,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.7045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3264, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00372,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.1371,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3R-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3265, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(7.48896e-05,'m^3/(mol*s)'), n=2.9587, w0=(301,'kJ/mol'), E0=(37.3969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08332750163601149, var=0.3626652759789928, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.4166510610059548"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4166510610059548""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4166510610059548 +""", +) + +entry( + index = 3266, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.165804,'m^3/(mol*s)'), n=2.01051, w0=(301,'kJ/mol'), E0=(59.5646,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04129610388161478, var=0.21707176069171533, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0377843844382029"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0377843844382029""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0377843844382029 +""", +) + +entry( + index = 3267, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.3771,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3268, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00512,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.2078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3269, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00541,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.6222,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3270, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000176294,'m^3/(mol*s)'), n=2.88448, w0=(301,'kJ/mol'), E0=(38.9456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012870074589714321, var=0.2777807603822429, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.0889307016053065"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0889307016053065""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.0889307016053065 +""", +) + +entry( + index = 3271, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0427349,'m^3/(mol*s)'), n=2.21151, w0=(301,'kJ/mol'), E0=(55.3421,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03862742342757242, var=0.2915696123020599, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.179554361286257"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.179554361286257""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.179554361286257 +""", +) + +entry( + index = 3272, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.1911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3273, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00664,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.9482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3274, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00701,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.2652,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3275, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(2.02556e-06,'m^3/(mol*s)'), n=3.38259, w0=(301,'kJ/mol'), E0=(44.343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1450127237852547, var=0.2737247641297551, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 1.4132051519121893"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 1.4132051519121893""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 1.4132051519121893 +""", +) + +entry( + index = 3276, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.28149e-08,'m^3/(mol*s)'), n=3.81675, w0=(301,'kJ/mol'), E0=(32.8381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03919135823034912, var=0.3788131245803078, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.3323410137853118"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3323410137853118""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.3323410137853118 +""", +) + +entry( + index = 3277, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0210392,'m^3/(mol*s)'), n=2.20261, w0=(301,'kJ/mol'), E0=(55.5889,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15444755870146495, var=0.1861157557949739, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2529246655540671"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2529246655540671""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2529246655540671 +""", +) + +entry( + index = 3278, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00643,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.2294,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3279, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00304,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.6169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3280, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00321,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.8605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3281, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0178642,'m^3/(mol*s)'), n=2.30184, w0=(301,'kJ/mol'), E0=(59.2696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.058844114215650424, var=0.2719329094933127, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.193262479585397"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.193262479585397""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.193262479585397 +""", +) + +entry( + index = 3282, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0121,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3283, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00573,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.8259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3284, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00606,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.0427,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3285, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(2.73465e-10,'m^3/(mol*s)'), n=4.42778, w0=(301,'kJ/mol'), E0=(24.8505,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2578683872542414, var=0.37147626576093673, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.8697735520858256"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.8697735520858256""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.8697735520858256 +""", +) + +entry( + index = 3286, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(1.46696e-09,'m^3/(mol*s)'), n=4.21426, w0=(301,'kJ/mol'), E0=(20.4812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17096449226398258, var=0.2099828301071321, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.348206492585993"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.348206492585993""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.348206492585993 +""", +) + +entry( + index = 3287, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.53723e-09,'m^3/(mol*s)'), n=4.21872, w0=(301,'kJ/mol'), E0=(17.1754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08312484867659377, var=0.8831901062406716, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.0928702361852722"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.0928702361852722""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.0928702361852722 +""", +) + +entry( + index = 3288, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00511,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.5496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3289, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00242,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.4859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3290, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00255,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.1527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3291, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(0.00140775,'m^3/(mol*s)'), n=2.5093, w0=(301,'kJ/mol'), E0=(62.9585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2092696379271157, var=0.18502164341411972, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.3881227084442636"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.3881227084442636""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.3881227084442636 +""", +) + +entry( + index = 3292, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.011653,'m^3/(mol*s)'), n=2.2566, w0=(301,'kJ/mol'), E0=(65.1487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18259558216116814, var=0.10691115201134214, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1142765275486775"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1142765275486775""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1142765275486775 +""", +) + +entry( + index = 3293, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0055,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3294, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.783,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3295, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00274,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.7957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Ext-3R-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3296, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(1.19413e-09,'m^3/(mol*s)'), n=4.31889, w0=(301,'kJ/mol'), E0=(20.4775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18087899280574846, var=0.21215196411901463, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.377849946292919"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.377849946292919""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.377849946292919 +""", +) + +entry( + index = 3297, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.25893e-09,'m^3/(mol*s)'), n=4.32254, w0=(301,'kJ/mol'), E0=(14.7097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0894385521219881, var=0.9943696872053421, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.2238034485112843"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2238034485112843""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.2238034485112843 +""", +) + +entry( + index = 3298, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00965,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.5113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3299, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00456,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.6059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3300, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00481,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.4225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3301, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C", + kinetics = ArrheniusBM(A=(0.000638227,'m^3/(mol*s)'), n=2.68687, w0=(301,'kJ/mol'), E0=(65.2311,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11842675213522165, var=0.2561228550010365, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C + Total Standard Deviation in ln(k): 1.312122644766484"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.312122644766484""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C +Total Standard Deviation in ln(k): 1.312122644766484 +""", +) + +entry( + index = 3302, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0213301,'m^3/(mol*s)'), n=2.2605, w0=(301,'kJ/mol'), E0=(69.1316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07970679596745919, var=0.11350582140619699, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.8756761090933479"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8756761090933479""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.8756761090933479 +""", +) + +entry( + index = 3303, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0104,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.9002,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3304, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0049,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.7753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3305, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00518,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.8156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2C-R_N-Sp-7R!H-2C_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3306, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000171259,'m^3/(mol*s)'), n=2.76192, w0=(301,'kJ/mol'), E0=(55.1177,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25819595221234665, var=0.30005510705567917, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.7468730168113125"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7468730168113125""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.7468730168113125 +""", +) + +entry( + index = 3307, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000363838,'m^3/(mol*s)'), n=2.67845, w0=(301,'kJ/mol'), E0=(55.7429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2261396032223126, var=0.4446472635809378, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.9049849236366658"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9049849236366658""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9049849236366658 +""", +) + +entry( + index = 3308, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00509,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.6102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3309, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00241,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.9604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3310, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00254,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.8952,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3311, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.50991e-05,'m^3/(mol*s)'), n=2.97151, w0=(301,'kJ/mol'), E0=(57.0036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14813401167964074, var=0.5617222323457767, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.8747074789886702"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8747074789886702""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8747074789886702 +""", +) + +entry( + index = 3312, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00961,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.5824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3313, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00454,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.2631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3314, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00479,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3315, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.83791,'m^3/(mol*s)'), n=1.55078, w0=(301,'kJ/mol'), E0=(66.7214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02826995672780915, var=0.9216519624597657, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.9956299712746424"""), + rank = 11, + shortDesc = """BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.9956299712746424""", + longDesc = +""" +BM rule fitted to 64 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.9956299712746424 +""", +) + +entry( + index = 3316, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3837.78,'m^3/(mol*s)'), n=0.773242, w0=(301,'kJ/mol'), E0=(74.412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05708233406426164, var=1.248264718963173, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.3832286074068705"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3832286074068705""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3832286074068705 +""", +) + +entry( + index = 3317, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0530477,'m^3/(mol*s)'), n=2.06549, w0=(301,'kJ/mol'), E0=(64.7238,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.046906358609242874, var=0.2714694927565187, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.1623769643384336"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.1623769643384336""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.1623769643384336 +""", +) + +entry( + index = 3318, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0140179,'m^3/(mol*s)'), n=2.2778, w0=(301,'kJ/mol'), E0=(61.6884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07787536127976766, var=0.15234571485626297, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 0.9781446919496354"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.9781446919496354""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 0.9781446919496354 +""", +) + +entry( + index = 3319, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00285064,'m^3/(mol*s)'), n=2.43648, w0=(301,'kJ/mol'), E0=(56.817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2346701402443105, var=0.2622143727708079, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.616185590559944"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.616185590559944""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.616185590559944 +""", +) + +entry( + index = 3320, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0011671,'m^3/(mol*s)'), n=2.56108, w0=(301,'kJ/mol'), E0=(53.6394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09786087928998519, var=0.01517701916463507, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.4928550347526629"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.4928550347526629""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.4928550347526629 +""", +) + +entry( + index = 3321, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00374,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.1762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3322, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00413,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.4417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3323, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00151377,'m^3/(mol*s)'), n=2.60773, w0=(301,'kJ/mol'), E0=(56.9361,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05052122379877684, var=0.017393040879770998, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.3913275798626905"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3913275798626905""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3913275798626905 +""", +) + +entry( + index = 3324, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00706,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1305,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3325, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00779,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.6199,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3326, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.000705427,'m^3/(mol*s)'), n=2.51694, w0=(301,'kJ/mol'), E0=(55.0612,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2563847523674595, var=0.28633030383622987, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 1.7169133387578899"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.7169133387578899""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 1.7169133387578899 +""", +) + +entry( + index = 3327, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000208879,'m^3/(mol*s)'), n=2.68193, w0=(301,'kJ/mol'), E0=(51.1799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1332233926675964, var=0.05436370938017881, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.802156705163539"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.802156705163539""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.802156705163539 +""", +) + +entry( + index = 3328, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00177,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.5346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3329, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00195,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.7645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3330, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000266537,'m^3/(mol*s)'), n=2.73026, w0=(301,'kJ/mol'), E0=(54.4754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08044266677738746, var=0.054649449183328654, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6707686156443595"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6707686156443595""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6707686156443595 +""", +) + +entry( + index = 3331, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00333,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.4632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3332, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00367,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3333, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(600.292,'m^3/(mol*s)'), n=1.04411, w0=(301,'kJ/mol'), E0=(67.0485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07504237286858541, var=0.4100280333555591, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.472249335567087"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.472249335567087""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.472249335567087 +""", +) + +entry( + index = 3334, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(788.892,'m^3/(mol*s)'), n=1.03104, w0=(301,'kJ/mol'), E0=(67.2356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0610694067403332, var=0.5374018042101886, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.6230657823116417"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.6230657823116417""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.6230657823116417 +""", +) + +entry( + index = 3335, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(7.64961,'m^3/(mol*s)'), n=1.69381, w0=(301,'kJ/mol'), E0=(47.4736,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06786319861105816, var=0.25603854617961797, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.1849115423118337"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1849115423118337""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.1849115423118337 +""", +) + +entry( + index = 3336, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(8.39475,'m^3/(mol*s)'), n=1.64271, w0=(301,'kJ/mol'), E0=(45.8821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07270508884164352, var=0.2682974084263032, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 1.2210774148102677"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2210774148102677""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 1.2210774148102677 +""", +) + +entry( + index = 3337, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(14.2847,'m^3/(mol*s)'), n=1.58999, w0=(301,'kJ/mol'), E0=(43.8128,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07770068078020063, var=0.31481257822687847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.3200478351985696"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3200478351985696""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3200478351985696 +""", +) + +entry( + index = 3338, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(4.46455,'m^3/(mol*s)'), n=1.72869, w0=(301,'kJ/mol'), E0=(44.4874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3339, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(45.7049,'m^3/(mol*s)'), n=1.4513, w0=(301,'kJ/mol'), E0=(43.1381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3R-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3340, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(11.8628,'m^3/(mol*s)'), n=1.69219, w0=(301,'kJ/mol'), E0=(46.9957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06801691492645141, var=0.3153583138653672, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2966912951367753"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2966912951367753""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2966912951367753 +""", +) + +entry( + index = 3341, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(3.70698,'m^3/(mol*s)'), n=1.83089, w0=(301,'kJ/mol'), E0=(47.6704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3342, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(37.9625,'m^3/(mol*s)'), n=1.55349, w0=(301,'kJ/mol'), E0=(46.3211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3343, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0677918,'m^3/(mol*s)'), n=2.11352, w0=(301,'kJ/mol'), E0=(39.7485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01818871926469625, var=0.18100999884187727, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.8986202485412892"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.8986202485412892""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.8986202485412892 +""", +) + +entry( + index = 3344, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.879961,'m^3/(mol*s)'), n=1.80802, w0=(301,'kJ/mol'), E0=(49.1121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003511945240470662, var=0.011581481720358677, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.22456814492681273"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.22456814492681273""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.22456814492681273 +""", +) + +entry( + index = 3345, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0330021,'m^3/(mol*s)'), n=2.21047, w0=(301,'kJ/mol'), E0=(37.861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01890639770862926, var=0.007624900823813959, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.22255833819929574"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.22255833819929574""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.22255833819929574 +""", +) + +entry( + index = 3346, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0433941,'m^3/(mol*s)'), n=2.16667, w0=(301,'kJ/mol'), E0=(37.0504,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3347, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0250988,'m^3/(mol*s)'), n=2.25427, w0=(301,'kJ/mol'), E0=(38.6717,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3348, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.33823,'m^3/(mol*s)'), n=1.93308, w0=(301,'kJ/mol'), E0=(44.1161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04519090569017067, var=0.0077278587994235905, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.28977772308220046"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.28977772308220046""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.28977772308220046 +""", +) + +entry( + index = 3349, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.444643,'m^3/(mol*s)'), n=1.88928, w0=(301,'kJ/mol'), E0=(43.3054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3350, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.257284,'m^3/(mol*s)'), n=1.97688, w0=(301,'kJ/mol'), E0=(44.9267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3351, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0281649,'m^3/(mol*s)'), n=2.18614, w0=(301,'kJ/mol'), E0=(48.8691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3352, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0162923,'m^3/(mol*s)'), n=2.27374, w0=(301,'kJ/mol'), E0=(41.977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3353, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.882714,'m^3/(mol*s)'), n=1.88653, w0=(301,'kJ/mol'), E0=(51.7954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04576587104028227, var=0.007726366815053673, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.291205346572128"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.291205346572128""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.291205346572128 +""", +) + +entry( + index = 3354, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.027359,'m^3/(mol*s)'), n=2.31267, w0=(301,'kJ/mol'), E0=(41.044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009222632427246302, var=0.006487741516160248, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.18464687271158176"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.18464687271158176""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.18464687271158176 +""", +) + +entry( + index = 3355, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0360604,'m^3/(mol*s)'), n=2.26887, w0=(301,'kJ/mol'), E0=(40.2333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3356, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0207573,'m^3/(mol*s)'), n=2.35647, w0=(301,'kJ/mol'), E0=(41.8546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3357, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.280584,'m^3/(mol*s)'), n=2.03528, w0=(301,'kJ/mol'), E0=(47.2991,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03550713560619091, var=0.006540578666846667, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.25134454076016177"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.25134454076016177""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.25134454076016177 +""", +) + +entry( + index = 3358, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.369779,'m^3/(mol*s)'), n=1.99148, w0=(301,'kJ/mol'), E0=(46.4884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3359, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.212904,'m^3/(mol*s)'), n=2.07908, w0=(301,'kJ/mol'), E0=(48.1097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3360, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0224717,'m^3/(mol*s)'), n=2.2932, w0=(301,'kJ/mol'), E0=(52.6588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3361, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0135436,'m^3/(mol*s)'), n=2.37593, w0=(301,'kJ/mol'), E0=(46.206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3362, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0252123,'m^3/(mol*s)'), n=2.22711, w0=(301,'kJ/mol'), E0=(39.1528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.020660600784764997, var=0.21413075052561614, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 0.979587458707102"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.979587458707102""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 0.979587458707102 +""", +) + +entry( + index = 3363, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.459444,'m^3/(mol*s)'), n=1.87953, w0=(301,'kJ/mol'), E0=(49.3981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03025319632284307, var=0.09777958710048432, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7028882560786561"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7028882560786561""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7028882560786561 +""", +) + +entry( + index = 3364, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0115139,'m^3/(mol*s)'), n=2.33214, w0=(301,'kJ/mol'), E0=(37.9447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02057645707838901, var=0.19887627578081343, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.9457222023331174"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.9457222023331174""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.9457222023331174 +""", +) + +entry( + index = 3365, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0073974,'m^3/(mol*s)'), n=2.37107, w0=(301,'kJ/mol'), E0=(37.7407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3366, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0179211,'m^3/(mol*s)'), n=2.2932, w0=(301,'kJ/mol'), E0=(38.1487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3367, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.118032,'m^3/(mol*s)'), n=2.05474, w0=(301,'kJ/mol'), E0=(44.0346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0336626076791806, var=0.23470296134540733, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.0557964128322623"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0557964128322623""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0557964128322623 +""", +) + +entry( + index = 3368, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0758605,'m^3/(mol*s)'), n=2.09368, w0=(301,'kJ/mol'), E0=(43.9958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3369, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.183648,'m^3/(mol*s)'), n=2.01581, w0=(301,'kJ/mol'), E0=(44.0734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3370, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00480599,'m^3/(mol*s)'), n=2.39053, w0=(301,'kJ/mol'), E0=(42.5832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3371, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0111849,'m^3/(mol*s)'), n=2.31754, w0=(301,'kJ/mol'), E0=(43.2563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3R-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3372, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.499211,'m^3/(mol*s)'), n=1.94824, w0=(301,'kJ/mol'), E0=(52.2954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0519675115052048, var=0.10134620565902351, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.7687774214911819"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7687774214911819""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.7687774214911819 +""", +) + +entry( + index = 3373, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.011615,'m^3/(mol*s)'), n=2.41013, w0=(301,'kJ/mol'), E0=(41.4571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0008806132156228314, var=0.14801703484354636, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 0.7734939626555016"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.7734939626555016""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.7734939626555016 +""", +) + +entry( + index = 3374, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.6884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3375, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0148433,'m^3/(mol*s)'), n=2.3954, w0=(301,'kJ/mol'), E0=(41.3316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3376, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0981633,'m^3/(mol*s)'), n=2.15694, w0=(301,'kJ/mol'), E0=(47.2176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023978847332313567, var=0.2317754921556005, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.0253893160672265"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.0253893160672265""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.0253893160672265 +""", +) + +entry( + index = 3377, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0631582,'m^3/(mol*s)'), n=2.19587, w0=(301,'kJ/mol'), E0=(47.1788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3378, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.15257,'m^3/(mol*s)'), n=2.11801, w0=(301,'kJ/mol'), E0=(47.2563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3379, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00774,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.4024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3380, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00924761,'m^3/(mol*s)'), n=2.41973, w0=(301,'kJ/mol'), E0=(44.4044,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3381, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00744751,'m^3/(mol*s)'), n=2.40042, w0=(301,'kJ/mol'), E0=(58.0527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05069699100495157, var=0.12771676496067777, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 0.8438212202038994"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.8438212202038994""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 0.8438212202038994 +""", +) + +entry( + index = 3382, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.35633,'m^3/(mol*s)'), n=1.93512, w0=(301,'kJ/mol'), E0=(63.6314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010171143894373924, var=0.04672696416796955, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 0.4589076051555372"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 0.4589076051555372""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 0.4589076051555372 +""", +) + +entry( + index = 3383, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.069109,'m^3/(mol*s)'), n=2.09981, w0=(301,'kJ/mol'), E0=(59.3828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0654282198396021, var=0.04633365693741335, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.5959168340709033"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.5959168340709033""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.5959168340709033 +""", +) + +entry( + index = 3384, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0267362,'m^3/(mol*s)'), n=2.23146, w0=(301,'kJ/mol'), E0=(58.0877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04658093552021593, var=0.08449543300499854, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6997758863743334"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6997758863743334""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6997758863743334 +""", +) + +entry( + index = 3385, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00606,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.2639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3386, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00669,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.8659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3387, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0459581,'m^3/(mol*s)'), n=2.24275, w0=(301,'kJ/mol'), E0=(61.8882,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01783185134624925, var=0.08572064374966917, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6317517469169854"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6317517469169854""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6317517469169854 +""", +) + +entry( + index = 3388, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0114,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.2194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3389, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0126,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.8582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3390, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(5.91956e-06,'m^3/(mol*s)'), n=3.24105, w0=(301,'kJ/mol'), E0=(44.6976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2137645942027438, var=0.2590902721341298, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 1.5575253840904046"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.5575253840904046""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.5575253840904046 +""", +) + +entry( + index = 3391, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.01196e-05,'m^3/(mol*s)'), n=2.98869, w0=(301,'kJ/mol'), E0=(47.093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027552161212976115, var=0.09215713860547504, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6778118669572414"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6778118669572414""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6778118669572414 +""", +) + +entry( + index = 3392, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00674843,'m^3/(mol*s)'), n=2.37261, w0=(301,'kJ/mol'), E0=(54.197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016052106482810996, var=0.21459238339713713, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 0.9690077525538296"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.9690077525538296""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.9690077525538296 +""", +) + +entry( + index = 3393, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00482,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.3629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3394, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00518,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.0593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3395, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(4.9911e-06,'m^3/(mol*s)'), n=3.28177, w0=(301,'kJ/mol'), E0=(42.6036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14979537610479843, var=0.425418064494752, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.6839403074752106"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.6839403074752106""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.6839403074752106 +""", +) + +entry( + index = 3396, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00531,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3397, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00571,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.0266,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3398, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00366,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.3694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3399, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00393,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-3R-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3400, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.96773e-05,'m^3/(mol*s)'), n=2.99529, w0=(301,'kJ/mol'), E0=(50.972,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.033531852151446016, var=0.08833406730867893, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.6800791523009934"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6800791523009934""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.6800791523009934 +""", +) + +entry( + index = 3401, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0125036,'m^3/(mol*s)'), n=2.37481, w0=(301,'kJ/mol'), E0=(58.1017,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09887539677418547, var=0.2110887925515664, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 1.1694941555112712"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.1694941555112712""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.1694941555112712 +""", +) + +entry( + index = 3402, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00909,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.2793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3403, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00977,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.0045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3404, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(6.64991e-06,'m^3/(mol*s)'), n=3.3251, w0=(301,'kJ/mol'), E0=(46.0419,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07119826692939435, var=0.39683646431742636, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 1.4417721235686891"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.4417721235686891""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.4417721235686891 +""", +) + +entry( + index = 3405, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.01,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.66,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3406, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.9447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3407, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0069,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.5069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3408, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00742,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.7971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3409, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(3.09106e-06,'m^3/(mol*s)'), n=3.54229, w0=(301,'kJ/mol'), E0=(67.3739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13159922714560035, var=1.089943264098092, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 2.4236017196958644"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.4236017196958644""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.4236017196958644 +""", +) + +entry( + index = 3410, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.336563,'m^3/(mol*s)'), n=2.10303, w0=(301,'kJ/mol'), E0=(89.1253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10876722972564416, var=0.2518430392798771, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 1.2793400563028199"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.2793400563028199""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.2793400563028199 +""", +) + +entry( + index = 3411, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0208,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.4552,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3412, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0162,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(88.0922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3413, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000157915,'m^3/(mol*s)'), n=2.86689, w0=(301,'kJ/mol'), E0=(52.877,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19286017313391585, var=0.167178048265849, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.3042575954747477"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.3042575954747477""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.3042575954747477 +""", +) + +entry( + index = 3414, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(4.87073e-05,'m^3/(mol*s)'), n=2.97377, w0=(301,'kJ/mol'), E0=(49.1908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3332996181030606, var=0.2941468161410362, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 1.924710382881971"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.924710382881971""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 1.924710382881971 +""", +) + +entry( + index = 3415, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.77273e-06,'m^3/(mol*s)'), n=3.30555, w0=(301,'kJ/mol'), E0=(43.2006,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1752864106585127, var=0.30538081964432534, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.5482602236585403"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5482602236585403""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5482602236585403 +""", +) + +entry( + index = 3416, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0048,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.6437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3417, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00529,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.2851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-3R-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3418, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.46081e-06,'m^3/(mol*s)'), n=3.39524, w0=(301,'kJ/mol'), E0=(45.5487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1628838464685925, var=0.4461754236973374, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.748346034184109"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.748346034184109""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.748346034184109 +""", +) + +entry( + index = 3419, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00905,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.1463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3420, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00998,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.2345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3421, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.0964493,'m^3/(mol*s)'), n=2.2109, w0=(301,'kJ/mol'), E0=(98.5477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21531005028850583, var=0.15067215852034196, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.3191482529212677"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.3191482529212677""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.3191482529212677 +""", +) + +entry( + index = 3422, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0142,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(93.4503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-1R!H-R_N-5R!H-inRing_N-Sp-5R!H-1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3423, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.024894,'m^3/(mol*s)'), n=2.39813, w0=(301,'kJ/mol'), E0=(56.6106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3034033367420285, var=0.7726965170871078, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 2.5245453823583794"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.5245453823583794""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.5245453823583794 +""", +) + +entry( + index = 3424, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0158633,'m^3/(mol*s)'), n=2.46617, w0=(301,'kJ/mol'), E0=(56.6106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0533967031965331, var=0.8930144082604597, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.028625984223891"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.028625984223891""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.028625984223891 +""", +) + +entry( + index = 3425, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.00558652,'m^3/(mol*s)'), n=2.40997, w0=(301,'kJ/mol'), E0=(48.5161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033434711924108296, var=0.4132379020003198, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 1.3727223476510046"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.3727223476510046""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.3727223476510046 +""", +) + +entry( + index = 3426, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00813525,'m^3/(mol*s)'), n=2.40988, w0=(301,'kJ/mol'), E0=(48.5161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05734629327146448, var=0.4469866104507087, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.4843930424594511"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.4843930424594511""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.4843930424594511 +""", +) + +entry( + index = 3427, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0045022,'m^3/(mol*s)'), n=2.44407, w0=(301,'kJ/mol'), E0=(44.4298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3428, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00279,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.0289,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_5R!H-inRing_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3429, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0217745,'m^3/(mol*s)'), n=2.3919, w0=(301,'kJ/mol'), E0=(43.2846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5999870202516084, var=1.7833843885607656, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 4.184696774756601"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 4.184696774756601""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 4.184696774756601 +""", +) + +entry( + index = 3430, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(68.1702,'m^3/(mol*s)'), n=1.4002, w0=(301,'kJ/mol'), E0=(42.4462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09568484779261693, var=1.0326820829089325, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 2.277645351520175"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.277645351520175""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.277645351520175 +""", +) + +entry( + index = 3431, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(1796.53,'m^3/(mol*s)'), n=1.07901, w0=(301,'kJ/mol'), E0=(46.3195,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12611961444591083, var=0.5480502608193617, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.8009971864536178"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8009971864536178""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.8009971864536178 +""", +) + +entry( + index = 3432, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(1972.97,'m^3/(mol*s)'), n=1.02791, w0=(301,'kJ/mol'), E0=(44.728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-7R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3433, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(14.5994,'m^3/(mol*s)'), n=1.5097, w0=(301,'kJ/mol'), E0=(38.9181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08530934875463655, var=0.00864020209230481, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.40069061031449765"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.40069061031449765""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.40069061031449765 +""", +) + +entry( + index = 3434, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(19.1584,'m^3/(mol*s)'), n=1.4659, w0=(301,'kJ/mol'), E0=(37.038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3435, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(11.1253,'m^3/(mol*s)'), n=1.55349, w0=(301,'kJ/mol'), E0=(40.7982,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Ext-3R-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3436, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(15.8818,'m^3/(mol*s)'), n=1.56809, w0=(301,'kJ/mol'), E0=(40.221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3437, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(9.18604,'m^3/(mol*s)'), n=1.65569, w0=(301,'kJ/mol'), E0=(43.9812,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Ext-2C-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3438, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00362391,'m^3/(mol*s)'), n=2.61483, w0=(301,'kJ/mol'), E0=(36.1695,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010720895226100058, var=0.05505313077911756, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 0.49731600469708653"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.49731600469708653""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.49731600469708653 +""", +) + +entry( + index = 3439, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(3.26381,'m^3/(mol*s)'), n=1.67029, w0=(301,'kJ/mol'), E0=(37.3715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3440, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(6.93309,'m^3/(mol*s)'), n=1.64839, w0=(301,'kJ/mol'), E0=(39.827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07216709232924944, var=0.5455657097681434, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.6620701966172808"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6620701966172808""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6620701966172808 +""", +) + +entry( + index = 3441, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(7.61835,'m^3/(mol*s)'), n=1.59729, w0=(301,'kJ/mol'), E0=(38.2355,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-5R!H-R_N-5R!H-inRing_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3442, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.000268837,'m^3/(mol*s)'), n=2.89422, w0=(301,'kJ/mol'), E0=(29.8159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0497808037163187, var=0.7372045884048005, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 1.8463553417469414"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 1.8463553417469414""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 1.8463553417469414 +""", +) + +entry( + index = 3443, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00958,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.9385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3444, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0290397,'m^3/(mol*s)'), n=2.24801, w0=(301,'kJ/mol'), E0=(51.7679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10761453973713908, var=0.10405332335006993, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R + Total Standard Deviation in ln(k): 0.9170616461565394"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9170616461565394""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R +Total Standard Deviation in ln(k): 0.9170616461565394 +""", +) + +entry( + index = 3445, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.00762,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.9123,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3446, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.00819,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.7791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-3R-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3447, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.0144,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.7851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3448, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-2C", + kinetics = ArrheniusBM(A=(0.0154,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3449, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00759,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.746,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_2R!H->C_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3450, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->C", + kinetics = ArrheniusBM(A=(520000,'m^3/(mol*s)'), n=-1.07934e-11, w0=(393.5,'kJ/mol'), E0=(98.6126,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_Sp-2R!H=1R!H_N-2R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3451, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.100811,'m^3/(mol*s)'), n=2.45643, w0=(289.5,'kJ/mol'), E0=(75.8031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17813889912811182, var=0.789831941087029, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.229243147210707"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.229243147210707""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.229243147210707 +""", +) + +entry( + index = 3452, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.53385e-05,'m^3/(mol*s)'), n=3.33453, w0=(289.5,'kJ/mol'), E0=(47.5073,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14772084104982133, var=2.263138290241905, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.3870273260173738"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.3870273260173738""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.3870273260173738 +""", +) + +entry( + index = 3453, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000615568,'m^3/(mol*s)'), n=2.94501, w0=(289.5,'kJ/mol'), E0=(41.3209,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05069565780152767, var=3.0016950604029473, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.600659856419116"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.600659856419116""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.600659856419116 +""", +) + +entry( + index = 3454, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(60.3973,'m^3/(mol*s)'), n=1.35395, w0=(289.5,'kJ/mol'), E0=(82.1173,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08945873197357497, var=0.3794359539602697, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.4596548712772814"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.4596548712772814""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.4596548712772814 +""", +) + +entry( + index = 3455, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(20.5794,'m^3/(mol*s)'), n=1.49365, w0=(289.5,'kJ/mol'), E0=(82.5666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10344408648386147, var=0.44225484210763466, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.5931035723370475"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.5931035723370475""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.5931035723370475 +""", +) + +entry( + index = 3456, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(26.2905,'m^3/(mol*s)'), n=1.42958, w0=(289.5,'kJ/mol'), E0=(82.1706,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06550240015446705, var=0.6145167596544258, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.7361131624919277"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7361131624919277""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7361131624919277 +""", +) + +entry( + index = 3457, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.0699164,'m^3/(mol*s)'), n=2.10396, w0=(289.5,'kJ/mol'), E0=(72.0202,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10171665849673554, var=0.21253655698259147, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.1797861898315707"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1797861898315707""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1797861898315707 +""", +) + +entry( + index = 3458, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.00435,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(65.1025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3459, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.237489,'m^3/(mol*s)'), n=2.07872, w0=(289.5,'kJ/mol'), E0=(73.2526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13756271876362866, var=0.22537532310884292, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.297357107665045"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.297357107665045""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.297357107665045 +""", +) + +entry( + index = 3460, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0121,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(65.5224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3461, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0163,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.4696,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3462, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0112187,'m^3/(mol*s)'), n=2.3662, w0=(289.5,'kJ/mol'), E0=(52.2205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3463, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(8.0958,'m^3/(mol*s)'), n=1.92573, w0=(289.5,'kJ/mol'), E0=(65.451,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06440761307027171, var=0.5850042149285627, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.6951611892328995"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6951611892328995""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.6951611892328995 +""", +) + +entry( + index = 3464, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.252674,'m^3/(mol*s)'), n=2.36288, w0=(289.5,'kJ/mol'), E0=(60.9513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16546640991771472, var=0.8061806444874386, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.2157475163885296"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2157475163885296""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.2157475163885296 +""", +) + +entry( + index = 3465, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(3663.26,'m^3/(mol*s)'), n=1.13702, w0=(289.5,'kJ/mol'), E0=(80.7039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009796121285810597, var=0.35472622389727126, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.218611474496494"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.218611474496494""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.218611474496494 +""", +) + +entry( + index = 3466, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(1.46383,'m^3/(mol*s)'), n=2.04733, w0=(289.5,'kJ/mol'), E0=(65.4336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.043394651328292504, var=0.2512673353144381, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.1139367857665436"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1139367857665436""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1139367857665436 +""", +) + +entry( + index = 3467, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0578,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(57.2465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3468, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.42335,'m^3/(mol*s)'), n=2.01111, w0=(289.5,'kJ/mol'), E0=(70.1592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10122181290304737, var=0.28242472037789407, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.3197154934965492"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.3197154934965492""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.3197154934965492 +""", +) + +entry( + index = 3469, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.16,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(60.4418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-7R!H-R_N-Sp-8R!H=7R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3470, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.216,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(56.6233,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3471, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(1.33423,'m^3/(mol*s)'), n=2.09368, w0=(289.5,'kJ/mol'), E0=(46.5313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3472, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.47364e-10,'m^3/(mol*s)'), n=4.88381, w0=(289.5,'kJ/mol'), E0=(7.16623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2570014417564409, var=1.0342398269042592, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.6844993732537206"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.6844993732537206""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.6844993732537206 +""", +) + +entry( + index = 3473, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000360928,'m^3/(mol*s)'), n=3.08416, w0=(289.5,'kJ/mol'), E0=(65.7781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21383017736783672, var=1.3181340597617344, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.8388984872085263"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.8388984872085263""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.8388984872085263 +""", +) + +entry( + index = 3474, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.129735,'m^3/(mol*s)'), n=2.28853, w0=(289.5,'kJ/mol'), E0=(77.3409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12672229092932946, var=0.0646288414834845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 0.8280455406207933"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.8280455406207933""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 0.8280455406207933 +""", +) + +entry( + index = 3475, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0356,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(73.7592,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3476, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.384027,'m^3/(mol*s)'), n=2.2803, w0=(289.5,'kJ/mol'), E0=(73.1268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21797170257205098, var=0.06273034598830371, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.049774079722259"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.049774079722259""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.049774079722259 +""", +) + +entry( + index = 3477, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0986,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(69.487,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3478, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.133,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(76.1076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3479, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0645,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(59.4048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3480, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.548187,'m^3/(mol*s)'), n=2.0847, w0=(289.5,'kJ/mol'), E0=(77.625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16956921746188625, var=0.5085907533366874, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.8557411372346357"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8557411372346357""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.8557411372346357 +""", +) + +entry( + index = 3481, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.07477,'m^3/(mol*s)'), n=1.80146, w0=(289.5,'kJ/mol'), E0=(80.6906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1285078855441832, var=0.4955053947710293, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.7340601385678909"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7340601385678909""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7340601385678909 +""", +) + +entry( + index = 3482, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0541451,'m^3/(mol*s)'), n=2.27578, w0=(289.5,'kJ/mol'), E0=(74.3834,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14426915938814427, var=0.07085345526971144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 0.8961119699127577"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.8961119699127577""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 0.8961119699127577 +""", +) + +entry( + index = 3483, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0134,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(70.6476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3484, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.173351,'m^3/(mol*s)'), n=2.25766, w0=(289.5,'kJ/mol'), E0=(76.3514,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2023610012745846, var=0.08560243588084201, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 1.0949879898865296"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.0949879898865296""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 1.0949879898865296 +""", +) + +entry( + index = 3485, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0371,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.3874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3486, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0502,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.0039,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-1R!H-R_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3487, + label = "Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R", + kinetics = ArrheniusBM(A=(0.0243,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(62.6283,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_Sp-4R!H=3R_N-Sp-2R!H=1R!H_Ext-3R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3488, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R", + kinetics = ArrheniusBM(A=(2.73143e+11,'m^3/(mol*s)'), n=-1.42825, w0=(300.815,'kJ/mol'), E0=(88.7356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06344465439251444, var=20.655083752737447, Tref=1000.0, N=454, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R',), comment="""BM rule fitted to 454 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R + Total Standard Deviation in ln(k): 9.270501467749929"""), + rank = 11, + shortDesc = """BM rule fitted to 454 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R +Total Standard Deviation in ln(k): 9.270501467749929""", + longDesc = +""" +BM rule fitted to 454 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R +Total Standard Deviation in ln(k): 9.270501467749929 +""", +) + +entry( + index = 3489, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C", + kinetics = ArrheniusBM(A=(8.90647e+06,'m^3/(mol*s)'), n=-0.198276, w0=(300.302,'kJ/mol'), E0=(67.0273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3273107057168037, var=7.214547064829838, Tref=1000.0, N=427, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C',), comment="""BM rule fitted to 427 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C + Total Standard Deviation in ln(k): 6.20708886394366"""), + rank = 11, + shortDesc = """BM rule fitted to 427 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C +Total Standard Deviation in ln(k): 6.20708886394366""", + longDesc = +""" +BM rule fitted to 427 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C +Total Standard Deviation in ln(k): 6.20708886394366 +""", +) + +entry( + index = 3490, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.43165,'m^3/(mol*s)'), n=1.58832, w0=(300.379,'kJ/mol'), E0=(66.1997,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2743586997156029, var=2.1590031255329776, Tref=1000.0, N=359, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R',), comment="""BM rule fitted to 359 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.635010300570665"""), + rank = 11, + shortDesc = """BM rule fitted to 359 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.635010300570665""", + longDesc = +""" +BM rule fitted to 359 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.635010300570665 +""", +) + +entry( + index = 3491, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(1.05133e-12,'m^3/(mol*s)'), n=5.04048, w0=(298.042,'kJ/mol'), E0=(37.5194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5477765617574784, var=1.0081445727216138, Tref=1000.0, N=71, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing',), comment="""BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 3.389205396769754"""), + rank = 11, + shortDesc = """BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.389205396769754""", + longDesc = +""" +BM rule fitted to 71 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 3.389205396769754 +""", +) + +entry( + index = 3492, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(8.11691e-13,'m^3/(mol*s)'), n=5.07866, w0=(297.769,'kJ/mol'), E0=(37.1933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5409729183411925, var=0.9632361741555565, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.326767582414609"""), + rank = 11, + shortDesc = """BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.326767582414609""", + longDesc = +""" +BM rule fitted to 65 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.326767582414609 +""", +) + +entry( + index = 3493, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(3.99047e-13,'m^3/(mol*s)'), n=5.18595, w0=(296.532,'kJ/mol'), E0=(36.4942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5288094948466131, var=0.8336606690150312, Tref=1000.0, N=47, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 47 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.1590908372623283"""), + rank = 11, + shortDesc = """BM rule fitted to 47 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.1590908372623283""", + longDesc = +""" +BM rule fitted to 47 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.1590908372623283 +""", +) + +entry( + index = 3494, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(7.46578e-19,'m^3/(mol*s)'), n=6.8323, w0=(295,'kJ/mol'), E0=(20.1667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2845079828164615, var=1.9505940381669367, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.514730736667722"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.514730736667722""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.514730736667722 +""", +) + +entry( + index = 3495, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.98154e-21,'m^3/(mol*s)'), n=7.50181, w0=(295,'kJ/mol'), E0=(14.0014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.9319416876206983, var=6.296840016357915, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 12.397270659921784"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 12.397270659921784""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 12.397270659921784 +""", +) + +entry( + index = 3496, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.63447e-07,'m^3/(mol*s)'), n=3.12438, w0=(301,'kJ/mol'), E0=(60.0341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45216352659369075, var=1.2966650829230155, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.418905208566291"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.418905208566291""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.418905208566291 +""", +) + +entry( + index = 3497, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.02457e-05,'m^3/(mol*s)'), n=2.76831, w0=(301,'kJ/mol'), E0=(59.4999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48233384448541783, var=1.4023185431896095, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.5858919673444736"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5858919673444736""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5858919673444736 +""", +) + +entry( + index = 3498, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000157,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.2473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3499, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(5.1757e-05,'m^3/(mol*s)'), n=2.90893, w0=(259,'kJ/mol'), E0=(60.6814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3500, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(3.53813e-07,'m^3/(mol*s)'), n=3.10913, w0=(301,'kJ/mol'), E0=(59.0523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.45750832974097666, var=1.3327605732189596, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 3.4638898370351945"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 3.4638898370351945""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 3.4638898370351945 +""", +) + +entry( + index = 3501, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.0789e-06,'m^3/(mol*s)'), n=2.76217, w0=(301,'kJ/mol'), E0=(58.3969,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4905346340508092, var=1.4429262463665933, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 3.640624244855091"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 3.640624244855091""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 3.640624244855091 +""", +) + +entry( + index = 3502, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.41e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.0551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_Ext-1R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3503, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00056591,'m^3/(mol*s)'), n=2.65082, w0=(259,'kJ/mol'), E0=(64.5559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3504, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(3.26396e-05,'m^3/(mol*s)'), n=2.60711, w0=(301,'kJ/mol'), E0=(63.3211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28057223025121864, var=0.677463966299315, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing + Total Standard Deviation in ln(k): 2.3550166942306574"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.3550166942306574""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.3550166942306574 +""", +) + +entry( + index = 3505, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.51339e-06,'m^3/(mol*s)'), n=2.97291, w0=(301,'kJ/mol'), E0=(60.3135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3016761379050245, var=0.9838267050846605, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.7464376533914785"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7464376533914785""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.7464376533914785 +""", +) + +entry( + index = 3506, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.81237e-05,'m^3/(mol*s)'), n=2.61911, w0=(301,'kJ/mol'), E0=(60.0071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3274540565072326, var=0.9034581127671863, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.7282578685697296"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.7282578685697296""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.7282578685697296 +""", +) + +entry( + index = 3507, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000176,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.6953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3508, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.81359e-05,'m^3/(mol*s)'), n=2.61805, w0=(301,'kJ/mol'), E0=(57.9791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33699234761902, var=0.9452745225410046, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 2.795822718445227"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 2.795822718445227""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 2.795822718445227 +""", +) + +entry( + index = 3509, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(8.32e-05,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.6779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-5R!H-R_Ext-7R!H-R_N-1R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3510, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(4.69932e-11,'m^3/(mol*s)'), n=4.57253, w0=(298.789,'kJ/mol'), E0=(36.6324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2584861094598412, var=2.050037241350398, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 6.032395284342935"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 6.032395284342935""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 6.032395284342935 +""", +) + +entry( + index = 3511, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00199437,'m^3/(mol*s)'), n=2.33516, w0=(301,'kJ/mol'), E0=(67.4738,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30417279232127337, var=0.4542548037085481, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 2.1154131658751147"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1154131658751147""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 2.1154131658751147 +""", +) + +entry( + index = 3512, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5.04015e-07,'m^3/(mol*s)'), n=3.35869, w0=(301,'kJ/mol'), E0=(55.0131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3538452164102155, var=0.8670496559069744, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.755777447235374"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.755777447235374""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.755777447235374 +""", +) + +entry( + index = 3513, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(9.07934e-05,'m^3/(mol*s)'), n=2.6971, w0=(301,'kJ/mol'), E0=(59.6346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40660482135943893, var=0.8143325703441459, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.8307006527856498"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.8307006527856498""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.8307006527856498 +""", +) + +entry( + index = 3514, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000785,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3515, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000386016,'m^3/(mol*s)'), n=2.53138, w0=(301,'kJ/mol'), E0=(57.3619,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2521946754652212, var=0.5864495364749054, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.168880950243269"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.168880950243269""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.168880950243269 +""", +) + +entry( + index = 3516, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000881,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.0412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3517, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(7.00917e-08,'m^3/(mol*s)'), n=3.47535, w0=(301,'kJ/mol'), E0=(45.2515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3622579052160943, var=0.5754636394872243, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.4309741345060827"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.4309741345060827""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.4309741345060827 +""", +) + +entry( + index = 3518, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.32673e-05,'m^3/(mol*s)'), n=2.80755, w0=(301,'kJ/mol'), E0=(48.7035,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43418218329756214, var=0.35800216464574697, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.2904088024330878"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.2904088024330878""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.2904088024330878 +""", +) + +entry( + index = 3519, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000262735,'m^3/(mol*s)'), n=2.41733, w0=(301,'kJ/mol'), E0=(48.1784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4837109331423385, var=0.033100805386238025, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.580088120428927"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.580088120428927""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.580088120428927 +""", +) + +entry( + index = 3520, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000258,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.9081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3521, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000301,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.6121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3522, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000348,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.2095,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3523, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000407,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.9074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3524, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000434,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3525, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000507,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.7912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-1R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3526, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.95244e-05,'m^3/(mol*s)'), n=2.68609, w0=(301,'kJ/mol'), E0=(48.3566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2769156148538913, var=0.251880161590948, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.7018975808770551"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7018975808770551""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7018975808770551 +""", +) + +entry( + index = 3527, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000125415,'m^3/(mol*s)'), n=2.52362, w0=(301,'kJ/mol'), E0=(45.3769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.304305433261835, var=0.09362819064277403, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.3780098676857895"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.3780098676857895""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.3780098676857895 +""", +) + +entry( + index = 3528, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000289,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.0709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3529, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000338,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.8132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3530, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000391,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.3502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3531, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000457,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.9064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3532, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(0.000569,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.1836,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3533, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(7.97531e-07,'m^3/(mol*s)'), n=3.43258, w0=(280,'kJ/mol'), E0=(51.8461,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3947901493145163, var=9.829063841440151, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 12.302173345094278"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 12.302173345094278""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 12.302173345094278 +""", +) + +entry( + index = 3534, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00052405,'m^3/(mol*s)'), n=2.63245, w0=(259,'kJ/mol'), E0=(59.3603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3535, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000487,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.7332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3536, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.66695e-08,'m^3/(mol*s)'), n=3.84523, w0=(295,'kJ/mol'), E0=(54.2284,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9608656737034457, var=1.1572460619392593, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 4.570836574314001"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.570836574314001""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 4.570836574314001 +""", +) + +entry( + index = 3537, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.0218e-05,'m^3/(mol*s)'), n=2.83066, w0=(301,'kJ/mol'), E0=(50.2761,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3856190520884223, var=0.4244185129320529, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.274925086284715"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.274925086284715""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.274925086284715 +""", +) + +entry( + index = 3538, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(9.64847e-05,'m^3/(mol*s)'), n=2.53255, w0=(301,'kJ/mol'), E0=(48.7262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4342290992238145, var=0.3631552840414363, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.299128691221276"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.299128691221276""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.299128691221276 +""", +) + +entry( + index = 3539, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000227,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.0596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3540, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.1801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3541, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000307,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3542, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000397,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.2974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3543, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(0.000495,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.1687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3544, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H", + kinetics = ArrheniusBM(A=(9.33191e-07,'m^3/(mol*s)'), n=3.37584, w0=(280,'kJ/mol'), E0=(60.2372,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.1333730626303242, var=6.517422650576413, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H + Total Standard Deviation in ln(k): 10.47817078621955"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 10.47817078621955""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H +Total Standard Deviation in ln(k): 10.47817078621955 +""", +) + +entry( + index = 3545, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(2.20765e-05,'m^3/(mol*s)'), n=2.98911, w0=(259,'kJ/mol'), E0=(63.8314,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3546, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.1127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-1R!H-R_N-Sp-7R!H#6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3547, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000114379,'m^3/(mol*s)'), n=2.54449, w0=(301,'kJ/mol'), E0=(52.2357,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26509185141956276, var=0.2708960166856412, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.7094778669420299"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7094778669420299""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7094778669420299 +""", +) + +entry( + index = 3548, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00019209,'m^3/(mol*s)'), n=2.46129, w0=(301,'kJ/mol'), E0=(48.6048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30140888419869144, var=0.25593658512126016, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.7715077470612022"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7715077470612022""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7715077470612022 +""", +) + +entry( + index = 3549, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000255,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.9636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3550, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.5999,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3551, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000344,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.9272,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3552, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000446,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.6551,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3553, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000429,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.1259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3554, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(9.40203e-07,'m^3/(mol*s)'), n=3.43094, w0=(280,'kJ/mol'), E0=(53.4808,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3994560510828316, var=10.276541726196356, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 12.45537242720104"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 12.45537242720104""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 12.45537242720104 +""", +) + +entry( + index = 3555, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00089094,'m^3/(mol*s)'), n=2.58533, w0=(259,'kJ/mol'), E0=(61.3103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3556, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000556,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8709,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_N-1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3557, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.02492e-17,'m^3/(mol*s)'), n=6.18101, w0=(301,'kJ/mol'), E0=(10.9641,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41219213343694133, var=0.9345660641414498, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 2.9736953087851155"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.9736953087851155""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 2.9736953087851155 +""", +) + +entry( + index = 3558, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.5589e-09,'m^3/(mol*s)'), n=3.93742, w0=(301,'kJ/mol'), E0=(39.1235,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4265332183500269, var=2.1295721616474, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.9972121663928233"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.9972121663928233""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.9972121663928233 +""", +) + +entry( + index = 3559, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(4.43448e-06,'m^3/(mol*s)'), n=2.93238, w0=(301,'kJ/mol'), E0=(44.0798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4632960925375503, var=2.2585471247133118, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 4.1768693097875715"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.1768693097875715""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.1768693097875715 +""", +) + +entry( + index = 3560, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000254,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.6045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3561, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.44442e-07,'m^3/(mol*s)'), n=3.33455, w0=(301,'kJ/mol'), E0=(48.5702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5652492553268711, var=1.0861332050764536, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.5095133424370193"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5095133424370193""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5095133424370193 +""", +) + +entry( + index = 3562, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.25152e-07,'m^3/(mol*s)'), n=3.33357, w0=(301,'kJ/mol'), E0=(43.9904,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6367842958567248, var=2.397224743441969, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 4.703886588606666"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.703886588606666""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 4.703886588606666 +""", +) + +entry( + index = 3563, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000202,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.9137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3564, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000217,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.7879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3565, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000273,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.5908,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3566, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3567, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00034,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.0262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3568, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000366,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.6778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-1R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3569, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(2.38904e-14,'m^3/(mol*s)'), n=5.33153, w0=(301,'kJ/mol'), E0=(13.9819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3311615195758827, var=1.5262999791214977, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.3087842756520947"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.3087842756520947""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.3087842756520947 +""", +) + +entry( + index = 3570, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.05802e-06,'m^3/(mol*s)'), n=3.12542, w0=(301,'kJ/mol'), E0=(42.9744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3001154165706074, var=1.9196358956114195, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.5316378390999312"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5316378390999312""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5316378390999312 +""", +) + +entry( + index = 3571, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000286,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.7285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3572, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.88589e-06,'m^3/(mol*s)'), n=2.97633, w0=(301,'kJ/mol'), E0=(52.103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33030748103996876, var=0.6183945718930767, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.406403224922164"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.406403224922164""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.406403224922164 +""", +) + +entry( + index = 3573, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.11936e-06,'m^3/(mol*s)'), n=3.0755, w0=(301,'kJ/mol'), E0=(46.9864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3998201030593097, var=1.3475568624765653, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.331756143048231"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.331756143048231""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.331756143048231 +""", +) + +entry( + index = 3574, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000227,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.5395,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3575, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000244,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.9436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3576, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000306,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.0964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3577, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.3252,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3578, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000382,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3579, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000411,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.6927,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-2R!H-R_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3580, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(3.32998e-06,'m^3/(mol*s)'), n=2.95444, w0=(301,'kJ/mol'), E0=(56.3515,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47599943047256693, var=1.5671373404034938, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.7056132157951507"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.7056132157951507""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.7056132157951507 +""", +) + +entry( + index = 3581, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.47543e-05,'m^3/(mol*s)'), n=2.68942, w0=(301,'kJ/mol'), E0=(54.7531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5315216239348307, var=1.6684324977447595, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.9249540055190644"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.9249540055190644""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.9249540055190644 +""", +) + +entry( + index = 3582, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000201,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.5792,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-1R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3583, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(6.77568e-05,'m^3/(mol*s)'), n=2.57854, w0=(301,'kJ/mol'), E0=(54.1866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3941296926221986, var=1.1072170357919462, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 3.099745685584843"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 3.099745685584843""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 3.099745685584843 +""", +) + +entry( + index = 3584, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000226,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.5346,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_5R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3585, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(0.310487,'m^3/(mol*s)'), n=1.79149, w0=(300.955,'kJ/mol'), E0=(60.7496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27712170538623165, var=2.20453978455454, Tref=1000.0, N=288, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 288 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 3.672854728938318"""), + rank = 11, + shortDesc = """BM rule fitted to 288 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 3.672854728938318""", + longDesc = +""" +BM rule fitted to 288 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 3.672854728938318 +""", +) + +entry( + index = 3586, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(9.4589e-08,'m^3/(mol*s)'), n=3.53001, w0=(303.056,'kJ/mol'), E0=(38.0148,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4944253016374622, var=1.7828810760479818, Tref=1000.0, N=135, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R',), comment="""BM rule fitted to 135 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.9190885164667875"""), + rank = 11, + shortDesc = """BM rule fitted to 135 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9190885164667875""", + longDesc = +""" +BM rule fitted to 135 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.9190885164667875 +""", +) + +entry( + index = 3587, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00781142,'m^3/(mol*s)'), n=2.1171, w0=(301,'kJ/mol'), E0=(57.1131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3700065605304284, var=1.2130620758961872, Tref=1000.0, N=120, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.1376618428953993"""), + rank = 11, + shortDesc = """BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1376618428953993""", + longDesc = +""" +BM rule fitted to 120 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.1376618428953993 +""", +) + +entry( + index = 3588, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.459333,'m^3/(mol*s)'), n=1.61295, w0=(301,'kJ/mol'), E0=(63.0502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32675467592067564, var=1.244026414639668, Tref=1000.0, N=84, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 3.056991602477775"""), + rank = 11, + shortDesc = """BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.056991602477775""", + longDesc = +""" +BM rule fitted to 84 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 3.056991602477775 +""", +) + +entry( + index = 3589, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing", + kinetics = ArrheniusBM(A=(1.34242e-06,'m^3/(mol*s)'), n=3.09857, w0=(301,'kJ/mol'), E0=(51.8785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4428870291852531, var=0.6499725202501216, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing + Total Standard Deviation in ln(k): 2.729016405973483"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 2.729016405973483""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing +Total Standard Deviation in ln(k): 2.729016405973483 +""", +) + +entry( + index = 3590, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.06636e-07,'m^3/(mol*s)'), n=3.4605, w0=(301,'kJ/mol'), E0=(48.0594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42630670581225866, var=0.5616364040387668, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.573519053706427"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.573519053706427""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.573519053706427 +""", +) + +entry( + index = 3591, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.58411e-05,'m^3/(mol*s)'), n=2.72129, w0=(301,'kJ/mol'), E0=(52.1383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4759342566595599, var=0.33534284519786167, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.3567326265355506"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.3567326265355506""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.3567326265355506 +""", +) + +entry( + index = 3592, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000882207,'m^3/(mol*s)'), n=2.30401, w0=(301,'kJ/mol'), E0=(51.7795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5376079227897113, var=0.11199006545839899, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.021656600508188"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.021656600508188""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.021656600508188 +""", +) + +entry( + index = 3593, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00241047,'m^3/(mol*s)'), n=2.18919, w0=(301,'kJ/mol'), E0=(52.8332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5344765413829925, var=0.06809569151960683, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.8660445321105215"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8660445321105215""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8660445321105215 +""", +) + +entry( + index = 3594, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000661,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.6194,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3595, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000313,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.0351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3596, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.6158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3597, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00207359,'m^3/(mol*s)'), n=2.24529, w0=(301,'kJ/mol'), E0=(62.047,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3770484301067873, var=0.11123517877512498, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.6159758704958056"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6159758704958056""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6159758704958056 +""", +) + +entry( + index = 3598, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000893,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3599, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000422,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.2449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3600, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000446,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.8541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3601, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00194566,'m^3/(mol*s)'), n=2.28051, w0=(301,'kJ/mol'), E0=(69.5483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2739006019470605, var=0.1040753842514692, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.3349343712679633"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3349343712679633""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.3349343712679633 +""", +) + +entry( + index = 3602, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00111,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.8116,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3603, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000526,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.0773,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3604, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000556,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.7873,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3605, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.36693e-06,'m^3/(mol*s)'), n=2.96588, w0=(301,'kJ/mol'), E0=(48.3943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4901648054520996, var=0.3929698589602808, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 2.4882843163450903"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 2.4882843163450903""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 2.4882843163450903 +""", +) + +entry( + index = 3606, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000106353,'m^3/(mol*s)'), n=2.47379, w0=(301,'kJ/mol'), E0=(48.8859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5493608777372117, var=0.1945787605131786, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.2646140581235756"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.2646140581235756""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.2646140581235756 +""", +) + +entry( + index = 3607, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00106411,'m^3/(mol*s)'), n=2.19737, w0=(301,'kJ/mol'), E0=(51.3523,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5501552708924233, var=0.10688302890271621, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.0377071135335254"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.0377071135335254""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.0377071135335254 +""", +) + +entry( + index = 3608, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000312,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.6088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3609, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000147,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.9898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3610, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000156,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.6115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3611, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000772818,'m^3/(mol*s)'), n=2.27449, w0=(301,'kJ/mol'), E0=(60.2483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38471613498249785, var=0.1676891529108135, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.7875597834810673"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7875597834810673""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7875597834810673 +""", +) + +entry( + index = 3612, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000421,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.6819,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3613, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000199,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.1023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3614, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00021,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.7441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3615, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000782824,'m^3/(mol*s)'), n=2.30035, w0=(301,'kJ/mol'), E0=(67.7837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2766723140248714, var=0.16298026159592569, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.5044844354354712"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5044844354354712""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5044844354354712 +""", +) + +entry( + index = 3616, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000525,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.5454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3617, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000248,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3618, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000262,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_7R!H-inRing_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3619, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing", + kinetics = ArrheniusBM(A=(0.00359513,'m^3/(mol*s)'), n=2.25647, w0=(301,'kJ/mol'), E0=(53.4528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3210981730826559, var=0.563966089878652, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing',), comment="""BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing + Total Standard Deviation in ln(k): 2.3122887768520113"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.3122887768520113""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing +Total Standard Deviation in ln(k): 2.3122887768520113 +""", +) + +entry( + index = 3620, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0314082,'m^3/(mol*s)'), n=2.00768, w0=(301,'kJ/mol'), E0=(56.5332,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32806965043614883, var=0.4637725766840322, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.189537231493077"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.189537231493077""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.189537231493077 +""", +) + +entry( + index = 3621, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.18048e-06,'m^3/(mol*s)'), n=3.28516, w0=(301,'kJ/mol'), E0=(32.051,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10040232866613995, var=0.2709734796626103, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 1.2958342687239817"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2958342687239817""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 1.2958342687239817 +""", +) + +entry( + index = 3622, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.29401e-05,'m^3/(mol*s)'), n=2.97695, w0=(301,'kJ/mol'), E0=(36.4124,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09296126092627849, var=0.22372883296406665, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.1818103449822335"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.1818103449822335""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.1818103449822335 +""", +) + +entry( + index = 3623, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0110833,'m^3/(mol*s)'), n=2.18922, w0=(301,'kJ/mol'), E0=(49.0363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2839127154330012, var=0.1496897791060885, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.4889757892494668"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.4889757892494668""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.4889757892494668 +""", +) + +entry( + index = 3624, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0658953,'m^3/(mol*s)'), n=1.97761, w0=(301,'kJ/mol'), E0=(52.5907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32575407875131274, var=0.21232031739133175, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.7422240015915607"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7422240015915607""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7422240015915607 +""", +) + +entry( + index = 3625, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0033,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.3635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3626, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-13R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00156,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.2154,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-13R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-13R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3627, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-13R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.8277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-13R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-13R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-13R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3628, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00984528,'m^3/(mol*s)'), n=2.25168, w0=(301,'kJ/mol'), E0=(60.0575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30474416871857285, var=0.2773827792797347, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.8215255258511562"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8215255258511562""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8215255258511562 +""", +) + +entry( + index = 3629, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00446,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.9899,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3630, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00211,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.7052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3631, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00223,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.4942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3632, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00303249,'m^3/(mol*s)'), n=2.42563, w0=(301,'kJ/mol'), E0=(66.8054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2728117374939251, var=0.34435975205652414, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.861878748988281"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.861878748988281""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.861878748988281 +""", +) + +entry( + index = 3633, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00556,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.5871,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3634, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00263,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.2108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3635, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00278,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-9R!H-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3636, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(4.72879e-05,'m^3/(mol*s)'), n=2.75796, w0=(301,'kJ/mol'), E0=(39.9403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3696202108720488, var=0.23877551194014868, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.9083010017610316"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.9083010017610316""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.9083010017610316 +""", +) + +entry( + index = 3637, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00505664,'m^3/(mol*s)'), n=2.15791, w0=(301,'kJ/mol'), E0=(42.4632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4338945476949561, var=0.08598205388516644, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.6780296911547623"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.6780296911547623""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.6780296911547623 +""", +) + +entry( + index = 3638, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0191601,'m^3/(mol*s)'), n=2.00239, w0=(301,'kJ/mol'), E0=(44.2446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4371411975484547, var=0.06603141684867868, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.613493048873008"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.613493048873008""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.613493048873008 +""", +) + +entry( + index = 3639, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00123763,'m^3/(mol*s)'), n=2.40313, w0=(301,'kJ/mol'), E0=(41.9591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39166307334109557, var=0.008712616227560838, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.171202844673822"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.171202844673822""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.171202844673822 +""", +) + +entry( + index = 3640, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.1064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3641, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00127,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.6135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3642, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000444683,'m^3/(mol*s)'), n=2.4373, w0=(301,'kJ/mol'), E0=(37.6301,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33645359402028757, var=0.03795822143324196, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 1.235940713284663"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 1.235940713284663""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 1.235940713284663 +""", +) + +entry( + index = 3643, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000512,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(37.6436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3644, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000599,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(38.3509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3645, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000519792,'m^3/(mol*s)'), n=2.42475, w0=(301,'kJ/mol'), E0=(36.8839,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4925649665521158, var=0.028539473506180888, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H + Total Standard Deviation in ln(k): 1.5762729452155475"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 1.5762729452155475""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H +Total Standard Deviation in ln(k): 1.5762729452155475 +""", +) + +entry( + index = 3646, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000541,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(36.6307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3647, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000633,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(37.5469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-12R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3648, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000482,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(39.0165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3649, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000563,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.1508,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3650, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00739288,'m^3/(mol*s)'), n=2.15824, w0=(301,'kJ/mol'), E0=(52.359,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30672607855726647, var=0.06671976858297653, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2884950190265"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2884950190265""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2884950190265 +""", +) + +entry( + index = 3651, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00147449,'m^3/(mol*s)'), n=2.4186, w0=(301,'kJ/mol'), E0=(51.6672,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25840720628124997, var=0.006058058069132416, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.8052999410171218"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8052999410171218""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.8052999410171218 +""", +) + +entry( + index = 3652, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00146,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.74,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3653, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00171,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.8076,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3654, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000763648,'m^3/(mol*s)'), n=2.40746, w0=(301,'kJ/mol'), E0=(48.6663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24176599492537593, var=0.005925664064027238, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 0.7617734169907323"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.7617734169907323""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 0.7617734169907323 +""", +) + +entry( + index = 3655, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000692,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.8805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3656, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000809,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.3931,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3657, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000787562,'m^3/(mol*s)'), n=2.4104, w0=(301,'kJ/mol'), E0=(47.9511,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4298747808095236, var=0.0014569122674131484, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 1.15660716487261"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 1.15660716487261""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 1.15660716487261 +""", +) + +entry( + index = 3658, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000731,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.0814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3659, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000854,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.8333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3660, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00065,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3661, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000761,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.4286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3662, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00550919,'m^3/(mol*s)'), n=2.22217, w0=(301,'kJ/mol'), E0=(59.8219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22396157936873992, var=0.06366309567834558, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0685432065084024"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0685432065084024""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0685432065084024 +""", +) + +entry( + index = 3663, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0018508,'m^3/(mol*s)'), n=2.4177, w0=(301,'kJ/mol'), E0=(60.0366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17884419169225863, var=0.007039532910359814, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 0.6175583963724345"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6175583963724345""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 0.6175583963724345 +""", +) + +entry( + index = 3664, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00182,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1313,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3665, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00213,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.1219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3666, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000945455,'m^3/(mol*s)'), n=2.40836, w0=(301,'kJ/mol'), E0=(56.8874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15714391392008417, var=0.006527348798007991, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.5568005299779816"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.5568005299779816""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.5568005299779816 +""", +) + +entry( + index = 3667, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000862,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.1339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3668, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.6059,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3669, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000972427,'m^3/(mol*s)'), n=2.41131, w0=(301,'kJ/mol'), E0=(56.3023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3601917754905874, var=0.0015322187808240709, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.98347694139995"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.98347694139995""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.98347694139995 +""", +) + +entry( + index = 3670, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000911,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.4895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3671, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.00106,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.1476,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3672, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000811,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.82,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3673, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000948,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.7907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-2R!H-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3674, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.82718e-08,'m^3/(mol*s)'), n=3.58222, w0=(301,'kJ/mol'), E0=(23.2769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1256316036905494, var=0.20216334277479944, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 1.2170378702083555"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 1.2170378702083555""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 1.2170378702083555 +""", +) + +entry( + index = 3675, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.94122e-07,'m^3/(mol*s)'), n=3.23852, w0=(301,'kJ/mol'), E0=(23.5878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08983628387437599, var=0.25251242160443377, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.2331109934098592"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.2331109934098592""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.2331109934098592 +""", +) + +entry( + index = 3676, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(5.15106e-07,'m^3/(mol*s)'), n=3.27624, w0=(301,'kJ/mol'), E0=(23.9014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007500123387483239, var=0.31075335724149505, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.1363892332020726"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1363892332020726""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.1363892332020726 +""", +) + +entry( + index = 3677, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00626637,'m^3/(mol*s)'), n=2.116, w0=(301,'kJ/mol'), E0=(45.3375,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41446024206196824, var=0.19479419903246764, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.9261571581845225"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9261571581845225""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9261571581845225 +""", +) + +entry( + index = 3678, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000955,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.4799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3679, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000451,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.1434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3680, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000477,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.2405,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3681, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000824866,'m^3/(mol*s)'), n=2.3904, w0=(301,'kJ/mol'), E0=(40.5723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32647056520405715, var=0.15025748013789075, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.5973744579506408"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.5973744579506408""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.5973744579506408 +""", +) + +entry( + index = 3682, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0140387,'m^3/(mol*s)'), n=2.048, w0=(301,'kJ/mol'), E0=(44.4958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.37933579759771435, var=0.15809888224979401, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.7502207669589376"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7502207669589376""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7502207669589376 +""", +) + +entry( + index = 3683, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.1886,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3684, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000585,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(39.2621,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3685, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000618,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(38.27,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3686, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(2.7476e-09,'m^3/(mol*s)'), n=3.96485, w0=(301,'kJ/mol'), E0=(22.541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010226271730760161, var=0.4820601671519304, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.4175927978454435"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4175927978454435""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.4175927978454435 +""", +) + +entry( + index = 3687, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00206278,'m^3/(mol*s)'), n=2.29171, w0=(301,'kJ/mol'), E0=(52.6229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30382678780266864, var=0.26682748420714575, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.798936743474457"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.798936743474457""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.798936743474457 +""", +) + +entry( + index = 3688, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00129,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.4244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3689, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00061,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.0694,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3690, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000644,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.3097,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3691, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000294508,'m^3/(mol*s)'), n=2.55584, w0=(301,'kJ/mol'), E0=(49.2859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2663378972221199, var=0.23911248055145248, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.6494886857953046"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.6494886857953046""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.6494886857953046 +""", +) + +entry( + index = 3692, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00546691,'m^3/(mol*s)'), n=2.20259, w0=(301,'kJ/mol'), E0=(52.8258,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25932799832120945, var=0.18839313149594722, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.5217186635925848"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5217186635925848""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5217186635925848 +""", +) + +entry( + index = 3693, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.2482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3694, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00079,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.8191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3695, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000834,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.27,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Ext-3C-R_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3696, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(3.2303e-11,'m^3/(mol*s)'), n=4.54518, w0=(301,'kJ/mol'), E0=(27.1107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0023999173677552075, var=0.5842974540295972, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.5384364464138525"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.5384364464138525""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.5384364464138525 +""", +) + +entry( + index = 3697, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00134559,'m^3/(mol*s)'), n=2.37233, w0=(301,'kJ/mol'), E0=(59.6907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20038164566474087, var=0.27516752490705615, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.5550835802624368"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5550835802624368""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.5550835802624368 +""", +) + +entry( + index = 3698, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.0655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3699, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00076,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.2229,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3700, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000803,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3701, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H", + kinetics = ArrheniusBM(A=(0.000107302,'m^3/(mol*s)'), n=2.70888, w0=(301,'kJ/mol'), E0=(56.2168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19473946889532182, var=0.301208173712128, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H + Total Standard Deviation in ln(k): 1.5895425857309007"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.5895425857309007""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H +Total Standard Deviation in ln(k): 1.5895425857309007 +""", +) + +entry( + index = 3702, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00458209,'m^3/(mol*s)'), n=2.25197, w0=(301,'kJ/mol'), E0=(60.4624,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17288669758321773, var=0.18257494114420258, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2909877091012514"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2909877091012514""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2909877091012514 +""", +) + +entry( + index = 3703, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00208,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.5526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3704, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000985,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.0596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3705, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00104,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.6089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-7R!H-R_N-7R!H-inRing_N-Sp-8R!H=7R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3706, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.27302e-13,'m^3/(mol*s)'), n=5.09996, w0=(301,'kJ/mol'), E0=(7.93114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2648325246159054, var=0.2624732350070495, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.6924770702167777"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6924770702167777""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.6924770702167777 +""", +) + +entry( + index = 3707, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.27883e-12,'m^3/(mol*s)'), n=4.79878, w0=(301,'kJ/mol'), E0=(11.0593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2165265462486235, var=0.36459706217449117, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.7545331425517432"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7545331425517432""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7545331425517432 +""", +) + +entry( + index = 3708, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.45258e-06,'m^3/(mol*s)'), n=3.16139, w0=(301,'kJ/mol'), E0=(30.6623,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5793526512795871, var=0.30141020297829385, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.5562762880530117"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.5562762880530117""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.5562762880530117 +""", +) + +entry( + index = 3709, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0014522,'m^3/(mol*s)'), n=2.31211, w0=(301,'kJ/mol'), E0=(37.9228,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.585316676430295, var=0.045141799441723564, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.8965829505200527"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8965829505200527""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8965829505200527 +""", +) + +entry( + index = 3710, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00107,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.5951,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3711, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000506,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(35.3354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3712, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000534,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(35.1849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3713, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00159538,'m^3/(mol*s)'), n=2.33791, w0=(301,'kJ/mol'), E0=(48.4786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34501119144540415, var=0.0446495592187767, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2904716790474249"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2904716790474249""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2904716790474249 +""", +) + +entry( + index = 3714, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.4108,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3715, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000683,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.0943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3716, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000721,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.9944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3717, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00223213,'m^3/(mol*s)'), n=2.32336, w0=(301,'kJ/mol'), E0=(56.9685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1984844899999809, var=0.08217532126298692, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.0733868813401526"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0733868813401526""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.0733868813401526 +""", +) + +entry( + index = 3718, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0018,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.9354,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3719, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000851,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.8569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3720, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000899,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.7159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-2R!H-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3721, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.12876e-13,'m^3/(mol*s)'), n=5.19304, w0=(301,'kJ/mol'), E0=(10.9344,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31023640381906903, var=0.4632631330079794, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.14398002964429"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.14398002964429""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.14398002964429 +""", +) + +entry( + index = 3722, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.53797e-12,'m^3/(mol*s)'), n=4.84934, w0=(301,'kJ/mol'), E0=(7.00654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4669439512127311, var=0.6228789110603946, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.7554166189619185"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.7554166189619185""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.7554166189619185 +""", +) + +entry( + index = 3723, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(5.78291e-12,'m^3/(mol*s)'), n=4.68787, w0=(301,'kJ/mol'), E0=(15.6408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18021754393815723, var=0.33665286852662046, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.6159911745554323"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.6159911745554323""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.6159911745554323 +""", +) + +entry( + index = 3724, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.97846e-12,'m^3/(mol*s)'), n=4.75147, w0=(301,'kJ/mol'), E0=(15.6408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0652770596455006, var=0.716072371322001, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.860440775610711"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.860440775610711""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.860440775610711 +""", +) + +entry( + index = 3725, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000851,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.8567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3726, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000402,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.8341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3727, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000425,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(39.4813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3728, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000369458,'m^3/(mol*s)'), n=2.4527, w0=(301,'kJ/mol'), E0=(50.5012,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6168709171542827, var=0.2007458154190213, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 2.448141796293484"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.448141796293484""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.448141796293484 +""", +) + +entry( + index = 3729, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00138653,'m^3/(mol*s)'), n=2.29836, w0=(301,'kJ/mol'), E0=(51.5048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5963915460310624, var=0.15669151147829485, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.292031140044387"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.292031140044387""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.292031140044387 +""", +) + +entry( + index = 3730, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000915,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.3937,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3731, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000432,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.6651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3732, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000457,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.2412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3733, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(4.4631e-14,'m^3/(mol*s)'), n=5.32261, w0=(301,'kJ/mol'), E0=(11.8941,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09349360413076438, var=0.49845526461184103, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 1.6502788690569559"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.6502788690569559""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 1.6502788690569559 +""", +) + +entry( + index = 3734, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.69235e-14,'m^3/(mol*s)'), n=5.32666, w0=(301,'kJ/mol'), E0=(14.5861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03453133449176192, var=1.0297052264893403, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.1210548812326273"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.1210548812326273""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.1210548812326273 +""", +) + +entry( + index = 3735, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00115,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.3821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3736, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000543,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.7213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3737, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000573,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.1712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3738, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000129325,'m^3/(mol*s)'), n=2.62075, w0=(301,'kJ/mol'), E0=(57.4055,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41408655981447134, var=0.3480992609309794, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 2.223210932032955"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.223210932032955""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.223210932032955 +""", +) + +entry( + index = 3739, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00119651,'m^3/(mol*s)'), n=2.35419, w0=(301,'kJ/mol'), E0=(59.0741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38454068936886215, var=0.25297472459333264, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.9744960749306972"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9744960749306972""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9744960749306972 +""", +) + +entry( + index = 3740, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00124,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3741, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000584,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.1852,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3742, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000616,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.7428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Ext-3C-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3743, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(1.06387e-10,'m^3/(mol*s)'), n=4.38237, w0=(301,'kJ/mol'), E0=(42.3801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40006635050826445, var=1.0015548373247076, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 3.0114848259641183"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 3.0114848259641183""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 3.0114848259641183 +""", +) + +entry( + index = 3744, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.54565e-16,'m^3/(mol*s)'), n=5.88564, w0=(301,'kJ/mol'), E0=(18.6347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04382740324869931, var=1.2356840066690238, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.338609168576363"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.338609168576363""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.338609168576363 +""", +) + +entry( + index = 3745, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.9363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3746, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000677,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.3422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3747, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000715,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.7027,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3748, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000102201,'m^3/(mol*s)'), n=2.67738, w0=(301,'kJ/mol'), E0=(64.1206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2842713942361069, var=0.4335999233689685, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H + Total Standard Deviation in ln(k): 2.0343337967297512"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.0343337967297512""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H +Total Standard Deviation in ln(k): 2.0343337967297512 +""", +) + +entry( + index = 3749, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000890713,'m^3/(mol*s)'), n=2.41825, w0=(301,'kJ/mol'), E0=(65.583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.249685735229164, var=0.3639600573591441, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.8367897674425129"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8367897674425129""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.8367897674425129 +""", +) + +entry( + index = 3750, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00154,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.0221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3751, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000728,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6704,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3752, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000769,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.2883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_Ext-2R!H-R_N-Sp-7R!H-2R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3753, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C", + kinetics = ArrheniusBM(A=(4.33737e-08,'m^3/(mol*s)'), n=3.60323, w0=(301,'kJ/mol'), E0=(42.9869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.554104847671398, var=0.7100983859654296, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C + Total Standard Deviation in ln(k): 3.081560072166609"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C +Total Standard Deviation in ln(k): 3.081560072166609""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C +Total Standard Deviation in ln(k): 3.081560072166609 +""", +) + +entry( + index = 3754, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.29157e-05,'m^3/(mol*s)'), n=2.87899, w0=(301,'kJ/mol'), E0=(46.0174,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5775231901552987, var=0.4530481602324148, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 2.8004274647494034"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.8004274647494034""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 2.8004274647494034 +""", +) + +entry( + index = 3755, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000287356,'m^3/(mol*s)'), n=2.47431, w0=(301,'kJ/mol'), E0=(45.2636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6621319610614486, var=0.1702844394542082, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.490912802204885"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.490912802204885""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.490912802204885 +""", +) + +entry( + index = 3756, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000317123,'m^3/(mol*s)'), n=2.47233, w0=(301,'kJ/mol'), E0=(45.2064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6247510222851876, var=0.2714282871750955, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.6141687030967296"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.6141687030967296""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.6141687030967296 +""", +) + +entry( + index = 3757, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000847,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.7563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3758, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0004,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.963,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3759, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000423,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.7781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3760, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000225068,'m^3/(mol*s)'), n=2.55228, w0=(301,'kJ/mol'), E0=(53.7945,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41232507566085447, var=0.3998357741024017, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.3036381369452528"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.3036381369452528""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.3036381369452528 +""", +) + +entry( + index = 3761, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00114,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.3082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3762, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000541,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.6458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3763, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000571,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.5728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3764, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000337535,'m^3/(mol*s)'), n=2.52953, w0=(301,'kJ/mol'), E0=(61.5525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2762106829004936, var=0.40885753089087334, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.9758637582077667"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9758637582077667""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9758637582077667 +""", +) + +entry( + index = 3765, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.00143,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.8071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3766, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000674,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.1778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3767, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000712,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.1166,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_2R!H->C_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3768, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C", + kinetics = ArrheniusBM(A=(1.35025e-05,'m^3/(mol*s)'), n=2.93912, w0=(393.5,'kJ/mol'), E0=(34.171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6402835718656354, var=2.8478864039190035, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C + Total Standard Deviation in ln(k): 4.991879843880399"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C +Total Standard Deviation in ln(k): 4.991879843880399""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C +Total Standard Deviation in ln(k): 4.991879843880399 +""", +) + +entry( + index = 3769, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_5R!H-u1", + kinetics = ArrheniusBM(A=(6.22703e-05,'m^3/(mol*s)'), n=2.75887, w0=(393.5,'kJ/mol'), E0=(31.0481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9926136945803586, var=8.045045425269311, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_5R!H-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_5R!H-u1 + Total Standard Deviation in ln(k): 8.180192588213195"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_5R!H-u1 +Total Standard Deviation in ln(k): 8.180192588213195""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_5R!H-u1 +Total Standard Deviation in ln(k): 8.180192588213195 +""", +) + +entry( + index = 3770, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_N-5R!H-u1", + kinetics = ArrheniusBM(A=(1.4291e-06,'m^3/(mol*s)'), n=3.20779, w0=(393.5,'kJ/mol'), E0=(36.9032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_N-5R!H-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_N-5R!H-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_N-5R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_Ext-1R!H-R_N-2R!H->C_N-5R!H-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3771, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C", + kinetics = ArrheniusBM(A=(7.88605e-06,'m^3/(mol*s)'), n=3.13003, w0=(299.14,'kJ/mol'), E0=(44.4884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2555690849168618, var=1.7103462317600493, Tref=1000.0, N=150, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C',), comment="""BM rule fitted to 150 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C + Total Standard Deviation in ln(k): 3.2639300459328107"""), + rank = 11, + shortDesc = """BM rule fitted to 150 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C +Total Standard Deviation in ln(k): 3.2639300459328107""", + longDesc = +""" +BM rule fitted to 150 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C +Total Standard Deviation in ln(k): 3.2639300459328107 +""", +) + +entry( + index = 3772, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000143481,'m^3/(mol*s)'), n=2.73966, w0=(302.184,'kJ/mol'), E0=(47.1883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24334233861756036, var=1.6451213851449848, Tref=1000.0, N=114, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H',), comment="""BM rule fitted to 114 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.182731937222553"""), + rank = 11, + shortDesc = """BM rule fitted to 114 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.182731937222553""", + longDesc = +""" +BM rule fitted to 114 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.182731937222553 +""", +) + +entry( + index = 3773, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C", + kinetics = ArrheniusBM(A=(0.000262807,'m^3/(mol*s)'), n=2.60487, w0=(301,'kJ/mol'), E0=(52.0742,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21320050026601217, var=1.043539838303467, Tref=1000.0, N=108, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C',), comment="""BM rule fitted to 108 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C + Total Standard Deviation in ln(k): 2.5835926641447458"""), + rank = 11, + shortDesc = """BM rule fitted to 108 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C +Total Standard Deviation in ln(k): 2.5835926641447458""", + longDesc = +""" +BM rule fitted to 108 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C +Total Standard Deviation in ln(k): 2.5835926641447458 +""", +) + +entry( + index = 3774, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.00495331,'m^3/(mol*s)'), n=2.2388, w0=(301,'kJ/mol'), E0=(55.9829,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18526558670131926, var=1.0311778499154631, Tref=1000.0, N=96, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R',), comment="""BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 2.501238300908927"""), + rank = 11, + shortDesc = """BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.501238300908927""", + longDesc = +""" +BM rule fitted to 96 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.501238300908927 +""", +) + +entry( + index = 3775, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(39.8744,'m^3/(mol*s)'), n=1.11291, w0=(301,'kJ/mol'), E0=(67.7052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12223005834524288, var=1.0820607129642175, Tref=1000.0, N=63, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.3924791746128395"""), + rank = 11, + shortDesc = """BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3924791746128395""", + longDesc = +""" +BM rule fitted to 63 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3924791746128395 +""", +) + +entry( + index = 3776, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(1.65246e-06,'m^3/(mol*s)'), n=3.12808, w0=(301,'kJ/mol'), E0=(48.4471,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25474937536391545, var=0.5684367463622222, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 2.151538692350422"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 2.151538692350422""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 2.151538692350422 +""", +) + +entry( + index = 3777, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.53163e-10,'m^3/(mol*s)'), n=4.1322, w0=(301,'kJ/mol'), E0=(26.3042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20526896946060713, var=0.39232403093096196, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.771432531885352"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.771432531885352""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.771432531885352 +""", +) + +entry( + index = 3778, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.17828e-05,'m^3/(mol*s)'), n=2.91503, w0=(301,'kJ/mol'), E0=(46.6793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24873613956679314, var=0.32680586837418957, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.7710108131124749"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7710108131124749""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.7710108131124749 +""", +) + +entry( + index = 3779, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000201404,'m^3/(mol*s)'), n=2.57528, w0=(301,'kJ/mol'), E0=(50.1596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2238513450803916, var=0.28126986914863866, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.6256494449736183"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6256494449736183""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6256494449736183 +""", +) + +entry( + index = 3780, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00209219,'m^3/(mol*s)'), n=2.26535, w0=(301,'kJ/mol'), E0=(48.9631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2587278244019814, var=0.02813698489311825, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.9863458294622237"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.9863458294622237""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.9863458294622237 +""", +) + +entry( + index = 3781, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000623,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.3237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3782, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000687,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.8477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3783, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000841,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.0832,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3784, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000928,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.2023,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3785, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000473,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.5949,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3786, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00151464,'m^3/(mol*s)'), n=2.37061, w0=(301,'kJ/mol'), E0=(65.8345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06350903749706711, var=0.00700765548701589, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.3273903084165874"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3273903084165874""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.3273903084165874 +""", +) + +entry( + index = 3787, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.2033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3788, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.6009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3789, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(6.63767e-07,'m^3/(mol*s)'), n=3.17943, w0=(301,'kJ/mol'), E0=(42.4861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2114657521115232, var=0.37124976073582133, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 1.752811448580254"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 1.752811448580254""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 1.752811448580254 +""", +) + +entry( + index = 3790, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.83681e-05,'m^3/(mol*s)'), n=2.63588, w0=(301,'kJ/mol'), E0=(48.5383,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26493328167883795, var=0.2971239857846808, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.7584241690682862"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7584241690682862""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.7584241690682862 +""", +) + +entry( + index = 3791, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000617486,'m^3/(mol*s)'), n=2.32371, w0=(301,'kJ/mol'), E0=(47.3676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3078850465594473, var=0.004319530327506627, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.9053379908866916"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.9053379908866916""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.9053379908866916 +""", +) + +entry( + index = 3792, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000294,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.1398,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3793, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000324,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.4444,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3794, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000397,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.7009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3795, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000437,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3796, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000223,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.2936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3797, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000476008,'m^3/(mol*s)'), n=2.42073, w0=(301,'kJ/mol'), E0=(64.1573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1030385173735584, var=0.0005606969817339716, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.30636095122146534"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.30636095122146534""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.30636095122146534 +""", +) + +entry( + index = 3798, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000494,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.7161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3799, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000545,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8622,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3800, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.160057,'m^3/(mol*s)'), n=1.83953, w0=(301,'kJ/mol'), E0=(57.0033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14794035423715243, var=0.4904395058181618, Tref=1000.0, N=45, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 1.7756531978216803"""), + rank = 11, + shortDesc = """BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.7756531978216803""", + longDesc = +""" +BM rule fitted to 45 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 1.7756531978216803 +""", +) + +entry( + index = 3801, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.290049,'m^3/(mol*s)'), n=1.78647, w0=(301,'kJ/mol'), E0=(58.3328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16788564094992772, var=0.5253233680570593, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 1.8748390606726557"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.8748390606726557""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 1.8748390606726557 +""", +) + +entry( + index = 3802, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.00245639,'m^3/(mol*s)'), n=2.46728, w0=(301,'kJ/mol'), E0=(50.0689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1673111229180471, var=0.3113181773672727, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.5389395621470854"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5389395621470854""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.5389395621470854 +""", +) + +entry( + index = 3803, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0528882,'m^3/(mol*s)'), n=2.06874, w0=(301,'kJ/mol'), E0=(51.6182,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17381545302337023, var=0.18594928086084553, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.3012008320311936"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.3012008320311936""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.3012008320311936 +""", +) + +entry( + index = 3804, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0550099,'m^3/(mol*s)'), n=2.07729, w0=(301,'kJ/mol'), E0=(50.3532,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0835371827844171, var=0.21446057190502374, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.138282986466074"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.138282986466074""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.138282986466074 +""", +) + +entry( + index = 3805, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.641958,'m^3/(mol*s)'), n=1.75289, w0=(301,'kJ/mol'), E0=(49.656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1292462505180621, var=0.10637576827877056, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.9785896484004456"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.9785896484004456""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.9785896484004456 +""", +) + +entry( + index = 3806, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0257018,'m^3/(mol*s)'), n=2.14721, w0=(301,'kJ/mol'), E0=(38.1403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3807, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.263425,'m^3/(mol*s)'), n=1.86982, w0=(301,'kJ/mol'), E0=(44.3954,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3808, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0042,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.5112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3809, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00463,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.3995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-5R!H-R_N-Sp-11R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3810, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0166792,'m^3/(mol*s)'), n=2.16667, w0=(301,'kJ/mol'), E0=(40.8181,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3811, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000420133,'m^3/(mol*s)'), n=2.73011, w0=(301,'kJ/mol'), E0=(57.0152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1619013329642295, var=0.06060839453279397, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9003284309534347"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9003284309534347""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9003284309534347 +""", +) + +entry( + index = 3812, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00524,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.81,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3813, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00578,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.9362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-8R!H-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3814, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.02259e-05,'m^3/(mol*s)'), n=2.86905, w0=(301,'kJ/mol'), E0=(29.101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0871954191431265, var=0.2228082221994976, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.1653703625453533"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.1653703625453533""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.1653703625453533 +""", +) + +entry( + index = 3815, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000173098,'m^3/(mol*s)'), n=2.6675, w0=(301,'kJ/mol'), E0=(36.0901,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1499723150707992, var=0.14468520106432808, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.1393661263209576"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1393661263209576""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.1393661263209576 +""", +) + +entry( + index = 3816, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00511276,'m^3/(mol*s)'), n=2.22543, w0=(301,'kJ/mol'), E0=(37.3594,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1415468638720706, var=0.016986328785838847, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.6169257385704672"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.6169257385704672""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.6169257385704672 +""", +) + +entry( + index = 3817, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000907334,'m^3/(mol*s)'), n=2.43415, w0=(301,'kJ/mol'), E0=(32.7866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15806566919426868, var=0.013004366714240989, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.6257632755742457"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.6257632755742457""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.6257632755742457 +""", +) + +entry( + index = 3818, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(32.4567,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3819, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(34.0959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3820, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00195276,'m^3/(mol*s)'), n=2.3516, w0=(301,'kJ/mol'), E0=(30.0475,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12133114374050509, var=0.02674035352546164, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.6326759815293755"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.6326759815293755""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.6326759815293755 +""", +) + +entry( + index = 3821, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00256903,'m^3/(mol*s)'), n=2.3078, w0=(301,'kJ/mol'), E0=(35.2115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3822, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00148433,'m^3/(mol*s)'), n=2.3954, w0=(301,'kJ/mol'), E0=(34.3433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3823, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00151734,'m^3/(mol*s)'), n=2.40778, w0=(301,'kJ/mol'), E0=(45.2764,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1363990277437354, var=0.0015078931606538903, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 0.42055819566964786"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.42055819566964786""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 0.42055819566964786 +""", +) + +entry( + index = 3824, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00138,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.3262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3825, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00161,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.1674,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3826, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000336911,'m^3/(mol*s)'), n=2.6073, w0=(301,'kJ/mol'), E0=(45.7479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1674267089265765, var=0.0924530801513326, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H + Total Standard Deviation in ln(k): 1.0302318371580659"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.0302318371580659""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H +Total Standard Deviation in ln(k): 1.0302318371580659 +""", +) + +entry( + index = 3827, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00152,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.3122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3828, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00178,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.0161,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-10R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3829, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000120905,'m^3/(mol*s)'), n=2.65089, w0=(301,'kJ/mol'), E0=(24.6326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30012888420487505, var=0.5959808753140462, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.301744096521222"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.301744096521222""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.301744096521222 +""", +) + +entry( + index = 3830, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000775,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(41.9472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3831, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000906,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(36.1791,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3832, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.7253,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3833, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00122,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.3149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3834, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.49915e-05,'m^3/(mol*s)'), n=2.95242, w0=(301,'kJ/mol'), E0=(48.5863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09659287204039518, var=0.02840084895694902, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.580544668267951"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.580544668267951""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.580544668267951 +""", +) + +entry( + index = 3835, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0017352,'m^3/(mol*s)'), n=2.4186, w0=(301,'kJ/mol'), E0=(53.934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013035085871910611, var=0.005974385598406946, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 0.18770576548755843"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.18770576548755843""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 0.18770576548755843 +""", +) + +entry( + index = 3836, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00172,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3837, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.0753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3838, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00071726,'m^3/(mol*s)'), n=2.5409, w0=(301,'kJ/mol'), E0=(56.4434,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13540066859329286, var=0.11779151193157382, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.0282431607711469"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0282431607711469""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.0282431607711469 +""", +) + +entry( + index = 3839, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0019,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3840, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00222,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.9408,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3841, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.2685,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3842, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00153,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.2813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3843, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.52526e-05,'m^3/(mol*s)'), n=2.7847, w0=(301,'kJ/mol'), E0=(36.6153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15667552554773206, var=0.2369882408946836, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 1.3695909637907218"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 1.3695909637907218""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 1.3695909637907218 +""", +) + +entry( + index = 3844, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(4.40888e-05,'m^3/(mol*s)'), n=2.82751, w0=(301,'kJ/mol'), E0=(34.5778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14028007086357144, var=0.19558735897938193, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.2390617825808532"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2390617825808532""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.2390617825808532 +""", +) + +entry( + index = 3845, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000669476,'m^3/(mol*s)'), n=2.47053, w0=(301,'kJ/mol'), E0=(34.5778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1220027757618588, var=0.1584226901597097, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.104471268387431"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.104471268387431""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.104471268387431 +""", +) + +entry( + index = 3846, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(6.6412e-05,'m^3/(mol*s)'), n=2.75066, w0=(301,'kJ/mol'), E0=(21.0524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1589848852871679, var=0.2945746631245549, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.4875241193577444"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.4875241193577444""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.4875241193577444 +""", +) + +entry( + index = 3847, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0009,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(36.1336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3848, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00117,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(33.9872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3849, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000680708,'m^3/(mol*s)'), n=2.47326, w0=(301,'kJ/mol'), E0=(24.0973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11305662287300913, var=0.31791270534498745, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.4144066432734508"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.4144066432734508""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.4144066432734508 +""", +) + +entry( + index = 3850, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000993,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(38.1029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3851, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00129452,'m^3/(mol*s)'), n=2.41047, w0=(301,'kJ/mol'), E0=(34.5778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3852, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00156271,'m^3/(mol*s)'), n=2.39437, w0=(301,'kJ/mol'), E0=(46.4013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09902319419375477, var=0.18537583392045257, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.1119465764375858"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.1119465764375858""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.1119465764375858 +""", +) + +entry( + index = 3853, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00121,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(46.6099,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3854, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00157,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.7849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3855, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(6.98948e-05,'m^3/(mol*s)'), n=2.79375, w0=(301,'kJ/mol'), E0=(44.4025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14937022872269848, var=0.3644754050937315, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 1.585596703071848"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.585596703071848""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 1.585596703071848 +""", +) + +entry( + index = 3856, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.1206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3857, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00174,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(49.814,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3858, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00260631,'m^3/(mol*s)'), n=2.25948, w0=(301,'kJ/mol'), E0=(41.6863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1855194861885447, var=0.19200693346584374, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.3445761219691192"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.3445761219691192""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.3445761219691192 +""", +) + +entry( + index = 3859, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000683,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(39.3851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3860, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000885,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(38.749,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3861, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.000922,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.0864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3862, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0012,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.7472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3863, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.62038e-06,'m^3/(mol*s)'), n=3.18326, w0=(301,'kJ/mol'), E0=(46.3136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08050591224365027, var=0.14099699624514295, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.9550454972864568"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9550454972864568""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.9550454972864568 +""", +) + +entry( + index = 3864, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00302145,'m^3/(mol*s)'), n=2.33992, w0=(301,'kJ/mol'), E0=(55.2356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.022657095950600264, var=0.09345612057468665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 0.6697867941881498"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.6697867941881498""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 0.6697867941881498 +""", +) + +entry( + index = 3865, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00151,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.3153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3866, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00196,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.5271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3867, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000374969,'m^3/(mol*s)'), n=2.61216, w0=(301,'kJ/mol'), E0=(57.0071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.103693900376312, var=0.40110448183648906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.530192495046971"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.530192495046971""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.530192495046971 +""", +) + +entry( + index = 3868, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.861,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3869, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00217,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.5737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3870, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00115,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(58.8244,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3871, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.8206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3872, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(5.13741e-12,'m^3/(mol*s)'), n=4.79657, w0=(301,'kJ/mol'), E0=(11.064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2262899857605743, var=0.32514177556826424, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 1.7116918903612603"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.7116918903612603""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 1.7116918903612603 +""", +) + +entry( + index = 3873, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(5.01626e-11,'m^3/(mol*s)'), n=4.5291, w0=(301,'kJ/mol'), E0=(13.9007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.20492463041840545, var=0.26686879241796047, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 1.5505190157234043"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.5505190157234043""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 1.5505190157234043 +""", +) + +entry( + index = 3874, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.29801e-10,'m^3/(mol*s)'), n=4.22034, w0=(301,'kJ/mol'), E0=(7.38176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2656645982159711, var=0.4040447207395289, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.9417990627365107"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.9417990627365107""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.9417990627365107 +""", +) + +entry( + index = 3875, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.08107e-10,'m^3/(mol*s)'), n=4.16681, w0=(301,'kJ/mol'), E0=(3.36534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18215188456320905, var=0.22141753415894963, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.400996635814879"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.400996635814879""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.400996635814879 +""", +) + +entry( + index = 3876, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.23195e-08,'m^3/(mol*s)'), n=3.82373, w0=(301,'kJ/mol'), E0=(14.0105,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29974757783966666, var=1.271508352781554, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.013697530192437"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.013697530192437""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.013697530192437 +""", +) + +entry( + index = 3877, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00101,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.6004,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3878, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00111,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(36.2528,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3879, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.6381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3880, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0015,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.3018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-5R!H-R_N-Sp-9R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3881, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000765,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.6037,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3882, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.61952e-06,'m^3/(mol*s)'), n=3.22167, w0=(301,'kJ/mol'), E0=(50.2679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008585424147039078, var=1.3143153725656798, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.319871767389577"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.319871767389577""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.319871767389577 +""", +) + +entry( + index = 3883, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0017,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.4744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3884, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00187,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-2C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3885, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.73334e-11,'m^3/(mol*s)'), n=4.62183, w0=(301,'kJ/mol'), E0=(9.6896,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22881454834616768, var=0.2841786380527349, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R + Total Standard Deviation in ln(k): 1.643603283071988"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 1.643603283071988""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 1.643603283071988 +""", +) + +entry( + index = 3886, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(7.28527e-11,'m^3/(mol*s)'), n=4.4566, w0=(301,'kJ/mol'), E0=(23.1474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22360519022562544, var=0.2804012507972521, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.6233879937686775"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6233879937686775""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.6233879937686775 +""", +) + +entry( + index = 3887, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.07218e-09,'m^3/(mol*s)'), n=4.10349, w0=(301,'kJ/mol'), E0=(22.851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10093155196828378, var=0.4099961369342911, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.537247593218466"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.537247593218466""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.537247593218466 +""", +) + +entry( + index = 3888, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.1969e-06,'m^3/(mol*s)'), n=3.22413, w0=(301,'kJ/mol'), E0=(35.3093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2974596844115939, var=0.9534843288374026, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.704940223173532"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.704940223173532""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.704940223173532 +""", +) + +entry( + index = 3889, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000801,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.1188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3890, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000862,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(47.8911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3891, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(1.31641e-09,'m^3/(mol*s)'), n=4.08408, w0=(301,'kJ/mol'), E0=(18.9724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4172671035327749, var=2.9118400467386745, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 4.46931270405535"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.46931270405535""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 4.46931270405535 +""", +) + +entry( + index = 3892, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000884,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.6793,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3893, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000951,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.0682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3894, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000151624,'m^3/(mol*s)'), n=2.65874, w0=(301,'kJ/mol'), E0=(49.676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10052435028442161, var=0.6522454359694898, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 1.8716321431090008"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.8716321431090008""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 1.8716321431090008 +""", +) + +entry( + index = 3895, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(48.8635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3896, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00116,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(55.432,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3897, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(6.86341e-12,'m^3/(mol*s)'), n=4.77513, w0=(301,'kJ/mol'), E0=(14.8036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23462497035875549, var=2.5814188000001415, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 3.810476592973402"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.810476592973402""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 3.810476592973402 +""", +) + +entry( + index = 3898, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.7687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3899, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00128,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.1837,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-8R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3900, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.69197e-08,'m^3/(mol*s)'), n=3.53133, w0=(301,'kJ/mol'), E0=(34.4328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.515518501059399, var=1.24206593504847, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.5295100028071724"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5295100028071724""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.5295100028071724 +""", +) + +entry( + index = 3901, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000608,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.8572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3902, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000654,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(51.0403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3903, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000821,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.7661,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3904, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.000883,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7747,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-3C-R_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3905, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(5.84423e-11,'m^3/(mol*s)'), n=4.53035, w0=(301,'kJ/mol'), E0=(38.9966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06337766652846252, var=0.5759204127566196, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.680622198808987"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.680622198808987""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.680622198808987 +""", +) + +entry( + index = 3906, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000747363,'m^3/(mol*s)'), n=2.48802, w0=(301,'kJ/mol'), E0=(58.3722,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03218803835454562, var=0.3968384519517559, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 1.3437596365769833"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.3437596365769833""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 1.3437596365769833 +""", +) + +entry( + index = 3907, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00135,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(56.4506,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3908, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00145,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.8013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3909, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(8.17661e-14,'m^3/(mol*s)'), n=5.35424, w0=(301,'kJ/mol'), E0=(17.6693,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10700619257311168, var=2.1952547155155955, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 3.239153854275147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.239153854275147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.239153854275147 +""", +) + +entry( + index = 3910, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.5333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3911, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0016,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.9171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-7R!H=5R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3912, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.9636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3913, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.0011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_Sp-5R!H-1R!H_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3914, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000146244,'m^3/(mol*s)'), n=2.82222, w0=(301,'kJ/mol'), E0=(78.9415,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2909862030085737, var=0.6545908395514047, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 2.3530878784388474"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.3530878784388474""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.3530878784388474 +""", +) + +entry( + index = 3915, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.01248e-06,'m^3/(mol*s)'), n=3.21565, w0=(301,'kJ/mol'), E0=(70.7401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27902401140588334, var=0.8530722784205537, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R + Total Standard Deviation in ln(k): 2.552677002863172"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 2.552677002863172""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R +Total Standard Deviation in ln(k): 2.552677002863172 +""", +) + +entry( + index = 3916, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000679049,'m^3/(mol*s)'), n=2.63127, w0=(301,'kJ/mol'), E0=(73.9637,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3138449015002836, var=0.7555410581015873, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 2.5311081425473496"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.5311081425473496""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 2.5311081425473496 +""", +) + +entry( + index = 3917, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00346,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.5125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3918, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000695432,'m^3/(mol*s)'), n=2.59737, w0=(301,'kJ/mol'), E0=(79.4631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35058835417882517, var=0.7834016009495383, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.6552658155114766"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.6552658155114766""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.6552658155114766 +""", +) + +entry( + index = 3919, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0027,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.7082,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Ext-2C-R_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3920, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(7.21095e-07,'m^3/(mol*s)'), n=3.30885, w0=(301,'kJ/mol'), E0=(42.6701,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.36364063820091574, var=0.5592183572573589, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 2.4128289548228214"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.4128289548228214""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.4128289548228214 +""", +) + +entry( + index = 3921, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(7.52457e-05,'m^3/(mol*s)'), n=2.71522, w0=(301,'kJ/mol'), E0=(44.9117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40035990857512976, var=0.29917316523165177, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.1024538373383925"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.1024538373383925""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.1024538373383925 +""", +) + +entry( + index = 3922, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(9.12005e-05,'m^3/(mol*s)'), n=2.70478, w0=(301,'kJ/mol'), E0=(44.2849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3357559869517013, var=0.34340861795415467, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.018404345894667"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.018404345894667""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.018404345894667 +""", +) + +entry( + index = 3923, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000569664,'m^3/(mol*s)'), n=2.45803, w0=(301,'kJ/mol'), E0=(42.4137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.40591218227201875, var=0.00012982626569226174, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.0427220729570568"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.0427220729570568""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.0427220729570568 +""", +) + +entry( + index = 3924, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000798,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.2234,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3925, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00088,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.6577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Ext-3C-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3926, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00108,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(50.8826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3927, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00119,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.5788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3928, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000606,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(45.2032,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3929, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.000612595,'m^3/(mol*s)'), n=2.51358, w0=(301,'kJ/mol'), E0=(57.3916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1408271477085967, var=0.01140860962994545, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.5679649997311206"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5679649997311206""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.5679649997311206 +""", +) + +entry( + index = 3930, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00134,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.2585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3931, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00148,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.6061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_Sp-5R!H-1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3932, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000172045,'m^3/(mol*s)'), n=2.7695, w0=(301,'kJ/mol'), E0=(86.5788,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3114822640866611, var=0.842343287310946, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 2.6225498065042"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.6225498065042""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.6225498065042 +""", +) + +entry( + index = 3933, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000540176,'m^3/(mol*s)'), n=2.61177, w0=(301,'kJ/mol'), E0=(84.1527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3239176270169629, var=1.0004663235346576, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.8190658349521183"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.8190658349521183""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.8190658349521183 +""", +) + +entry( + index = 3934, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00235,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.5205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_2R!H->C_N-Sp-5R!H-1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3935, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C", + kinetics = ArrheniusBM(A=(334.357,'m^3/(mol*s)'), n=0.994609, w0=(323.5,'kJ/mol'), E0=(63.6101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10449989757920747, var=0.611668834673572, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C + Total Standard Deviation in ln(k): 1.8304510253360393"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C +Total Standard Deviation in ln(k): 1.8304510253360393""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C +Total Standard Deviation in ln(k): 1.8304510253360393 +""", +) + +entry( + index = 3936, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(1498.41,'m^3/(mol*s)'), n=0.75172, w0=(323.5,'kJ/mol'), E0=(61.3482,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11206808899627381, var=0.8859295685586019, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 2.1685115824489634"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.1685115824489634""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 2.1685115824489634 +""", +) + +entry( + index = 3937, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O", + kinetics = ArrheniusBM(A=(0.00165,'m^3/(mol*s)'), n=2.54, w0=(323.5,'kJ/mol'), E0=(52.0961,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_5R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3938, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O", + kinetics = ArrheniusBM(A=(3657.31,'m^3/(mol*s)'), n=0.614179, w0=(323.5,'kJ/mol'), E0=(59.5447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.032397345587547, var=1.7296803273627592, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O + Total Standard Deviation in ln(k): 2.7179740460521336"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O +Total Standard Deviation in ln(k): 2.7179740460521336""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O +Total Standard Deviation in ln(k): 2.7179740460521336 +""", +) + +entry( + index = 3939, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R", + kinetics = ArrheniusBM(A=(1248.82,'m^3/(mol*s)'), n=0.665667, w0=(323.5,'kJ/mol'), E0=(55.4654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18275496253498835, var=4.0604455165586115, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R + Total Standard Deviation in ln(k): 4.4988341990075895"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R +Total Standard Deviation in ln(k): 4.4988341990075895""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R +Total Standard Deviation in ln(k): 4.4988341990075895 +""", +) + +entry( + index = 3940, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C", + kinetics = ArrheniusBM(A=(0.0528646,'m^3/(mol*s)'), n=2.02644, w0=(323.5,'kJ/mol'), E0=(39.2636,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5464761416420968, var=0.8701831235742388, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C + Total Standard Deviation in ln(k): 3.2431448125959332"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 3.2431448125959332""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C +Total Standard Deviation in ln(k): 3.2431448125959332 +""", +) + +entry( + index = 3941, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_5CS->C", + kinetics = ArrheniusBM(A=(0.00599881,'m^3/(mol*s)'), n=2.30629, w0=(323.5,'kJ/mol'), E0=(27.4491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_5CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_5CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_5CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_5CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3942, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_N-5CS->C", + kinetics = ArrheniusBM(A=(195000,'m^3/(mol*s)'), n=-3.75122e-08, w0=(323.5,'kJ/mol'), E0=(59.7075,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_N-5CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_N-5CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_N-5CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_6R!H->C_N-5CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3943, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_N-6R!H->C", + kinetics = ArrheniusBM(A=(0.00119294,'m^3/(mol*s)'), n=2.27596, w0=(323.5,'kJ/mol'), E0=(19.8562,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_N-6R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_N-6R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_Sp-5R!H-1R!H_N-5R!H->O_Ext-3C-R_N-6R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3944, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H", + kinetics = ArrheniusBM(A=(0.971,'m^3/(mol*s)'), n=1.95, w0=(323.5,'kJ/mol'), E0=(71.8529,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_Sp-2R!H=1R!H_N-2R!H->C_N-Sp-5R!H-1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3945, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(5.2051e-11,'m^3/(mol*s)'), n=4.76854, w0=(289.5,'kJ/mol'), E0=(33.1879,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33509913794438045, var=2.2453092352100663, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 3.845924033443053"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.845924033443053""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 3.845924033443053 +""", +) + +entry( + index = 3946, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(1.27234e-10,'m^3/(mol*s)'), n=4.67095, w0=(289.5,'kJ/mol'), E0=(29.2394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2744685665047444, var=2.336241832575324, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.7538109005814855"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.7538109005814855""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.7538109005814855 +""", +) + +entry( + index = 3947, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(4.77859e-09,'m^3/(mol*s)'), n=4.18628, w0=(289.5,'kJ/mol'), E0=(3.85243,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1757869431159998, var=2.995982177883617, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 3.9116527845606814"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9116527845606814""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 3.9116527845606814 +""", +) + +entry( + index = 3948, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.34916e-10,'m^3/(mol*s)'), n=4.32362, w0=(289.5,'kJ/mol'), E0=(24.4237,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25007344113249386, var=0.8046364492494024, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.4266032667564064"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.4266032667564064""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.4266032667564064 +""", +) + +entry( + index = 3949, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.0662e-06,'m^3/(mol*s)'), n=3.10258, w0=(289.5,'kJ/mol'), E0=(58.8756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3131373511342165, var=0.9197435257289809, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.709383555510624"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.709383555510624""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.709383555510624 +""", +) + +entry( + index = 3950, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(2.0875e-05,'m^3/(mol*s)'), n=2.88534, w0=(289.5,'kJ/mol'), E0=(62.9384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3793003245240076, var=0.8097237444877187, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.7569697568937213"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.7569697568937213""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.7569697568937213 +""", +) + +entry( + index = 3951, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000118401,'m^3/(mol*s)'), n=2.65396, w0=(289.5,'kJ/mol'), E0=(61.4011,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4032432781678361, var=0.8250804251095092, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.8341538784339777"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.8341538784339777""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.8341538784339777 +""", +) + +entry( + index = 3952, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000724,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(59.3958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3953, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(3.90773e-05,'m^3/(mol*s)'), n=2.93425, w0=(289.5,'kJ/mol'), E0=(59.9828,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21557640144555004, var=0.7532710437964814, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.281582654051079"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.281582654051079""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.281582654051079 +""", +) + +entry( + index = 3954, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000268832,'m^3/(mol*s)'), n=2.67892, w0=(289.5,'kJ/mol'), E0=(58.7538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23508765204423815, var=0.7755716373150359, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.356173414473172"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.356173414473172""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.356173414473172 +""", +) + +entry( + index = 3955, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00201,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(57.0242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3956, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000450501,'m^3/(mol*s)'), n=2.65197, w0=(289.5,'kJ/mol'), E0=(59.9113,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.43267315578217624, var=0.8641525057805896, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.95071626954057"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.95071626954057""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.95071626954057 +""", +) + +entry( + index = 3957, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00271,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(57.8798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3958, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(5.25043e-08,'m^3/(mol*s)'), n=4.04893, w0=(289.5,'kJ/mol'), E0=(25.4279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.155298859350896, var=0.6131930394119081, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.960038886415979"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.960038886415979""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.960038886415979 +""", +) + +entry( + index = 3959, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.282712,'m^3/(mol*s)'), n=2.08674, w0=(289.5,'kJ/mol'), E0=(66.6745,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18681770696104327, var=0.678732651659244, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.1209968759128537"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.1209968759128537""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.1209968759128537 +""", +) + +entry( + index = 3960, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000100549,'m^3/(mol*s)'), n=3.01159, w0=(289.5,'kJ/mol'), E0=(54.1259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26179635843444277, var=0.785268684682428, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.4342835460269163"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.4342835460269163""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.4342835460269163 +""", +) + +entry( + index = 3961, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00099567,'m^3/(mol*s)'), n=2.7109, w0=(289.5,'kJ/mol'), E0=(53.5102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3073027028377275, var=0.802622461590667, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.5681434460242416"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.5681434460242416""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.5681434460242416 +""", +) + +entry( + index = 3962, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00961,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(52.2114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3963, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000166171,'m^3/(mol*s)'), n=3.07574, w0=(289.5,'kJ/mol'), E0=(54.3849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18263052776271546, var=0.7062016220422485, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H + Total Standard Deviation in ln(k): 2.1435658972046587"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.1435658972046587""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H +Total Standard Deviation in ln(k): 2.1435658972046587 +""", +) + +entry( + index = 3964, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0023929,'m^3/(mol*s)'), n=2.72851, w0=(289.5,'kJ/mol'), E0=(54.4677,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1919099601979051, var=0.71286965894568, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.1748159106209513"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.1748159106209513""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.1748159106209513 +""", +) + +entry( + index = 3965, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0266,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(53.4438,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-5R!H-R_N-Sp-8R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3966, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00344982,'m^3/(mol*s)'), n=2.72049, w0=(289.5,'kJ/mol'), E0=(47.1824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3603117145822957, var=0.8677200777398637, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.7727464847309524"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.7727464847309524""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.7727464847309524 +""", +) + +entry( + index = 3967, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.036,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(46.0478,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3968, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.23683e-14,'m^3/(mol*s)'), n=5.85387, w0=(289.5,'kJ/mol'), E0=(9.38626,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32632759086044405, var=0.7871482779989978, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 2.598547140749475"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.598547140749475""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 2.598547140749475 +""", +) + +entry( + index = 3969, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000818837,'m^3/(mol*s)'), n=2.69017, w0=(289.5,'kJ/mol'), E0=(69.1381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47106713840468967, var=1.0134016600636415, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 3.201709532948958"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.201709532948958""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 3.201709532948958 +""", +) + +entry( + index = 3970, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00211165,'m^3/(mol*s)'), n=2.55693, w0=(289.5,'kJ/mol'), E0=(66.7169,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5259951238821423, var=1.0234940513381217, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 3.3497438225089575"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 3.3497438225089575""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 3.3497438225089575 +""", +) + +entry( + index = 3971, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00592,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(63.8688,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3972, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00205739,'m^3/(mol*s)'), n=2.70226, w0=(289.5,'kJ/mol'), E0=(59.8775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26096105936870295, var=1.029232448113807, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H + Total Standard Deviation in ln(k): 2.68950672223364"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 2.68950672223364""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H +Total Standard Deviation in ln(k): 2.68950672223364 +""", +) + +entry( + index = 3973, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00542626,'m^3/(mol*s)'), n=2.56618, w0=(289.5,'kJ/mol'), E0=(57.5242,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.31802616237583503, var=1.0584851092825938, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.861586395395551"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.861586395395551""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.861586395395551 +""", +) + +entry( + index = 3974, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0164,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(54.7756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-7R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3975, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00800815,'m^3/(mol*s)'), n=2.5554, w0=(289.5,'kJ/mol'), E0=(61.7447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5019078588121434, var=1.0913435283712734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 3.3553694061124597"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.3553694061124597""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 3.3553694061124597 +""", +) + +entry( + index = 3976, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0222,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(58.891,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-2R!H-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3977, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.52146e-14,'m^3/(mol*s)'), n=5.6438, w0=(289.5,'kJ/mol'), E0=(16.6391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08631635984438892, var=2.8551537994819673, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.6043163027930025"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.6043163027930025""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.6043163027930025 +""", +) + +entry( + index = 3978, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(8.36881e-15,'m^3/(mol*s)'), n=5.7176, w0=(289.5,'kJ/mol'), E0=(17.3273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4790484016528268, var=3.7275923645052322, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 5.074175957169326"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 5.074175957169326""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 5.074175957169326 +""", +) + +entry( + index = 3979, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000736384,'m^3/(mol*s)'), n=2.56653, w0=(289.5,'kJ/mol'), E0=(63.7029,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.548679451709492, var=1.0241359259936054, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 3.407375488360836"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 3.407375488360836""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 3.407375488360836 +""", +) + +entry( + index = 3980, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00223,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(60.9452,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3981, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.000655798,'m^3/(mol*s)'), n=2.72315, w0=(289.5,'kJ/mol'), E0=(63.7025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.24679470073900794, var=0.961768633780469, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 2.5861269367642685"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.5861269367642685""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 2.5861269367642685 +""", +) + +entry( + index = 3982, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00189284,'m^3/(mol*s)'), n=2.57588, w0=(289.5,'kJ/mol'), E0=(61.4203,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2954629117013536, var=0.9835772014335004, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R + Total Standard Deviation in ln(k): 2.7305743746356113"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.7305743746356113""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R +Total Standard Deviation in ln(k): 2.7305743746356113 +""", +) + +entry( + index = 3983, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00618,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(58.7282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-5R!H-R_N-Sp-6R!H=5R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3984, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00205635,'m^3/(mol*s)'), n=2.60319, w0=(289.5,'kJ/mol'), E0=(58.7069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39655521203258803, var=1.3615091655633467, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R + Total Standard Deviation in ln(k): 3.335569442081459"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 3.335569442081459""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R +Total Standard Deviation in ln(k): 3.335569442081459 +""", +) + +entry( + index = 3985, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00835,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(56.1687,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_4R!H->C_N-Sp-2R!H=1R!H_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3986, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.590053,'m^3/(mol*s)'), n=2.1307, w0=(297.167,'kJ/mol'), E0=(71.7319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19352425127231598, var=0.3297817591235643, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C + Total Standard Deviation in ln(k): 1.6374935905162167"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C +Total Standard Deviation in ln(k): 1.6374935905162167""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C +Total Standard Deviation in ln(k): 1.6374935905162167 +""", +) + +entry( + index = 3987, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.0232352,'m^3/(mol*s)'), n=2.43467, w0=(301,'kJ/mol'), E0=(60.7596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18407561553017068, var=1.0305054756127947, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 2.497584616140272"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.497584616140272""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 2.497584616140272 +""", +) + +entry( + index = 3988, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.88073e-05,'m^3/(mol*s)'), n=3.19085, w0=(301,'kJ/mol'), E0=(49.0762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3989, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(2.02591e-05,'m^3/(mol*s)'), n=3.6068, w0=(289.5,'kJ/mol'), E0=(68.6416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-1R!H-R_N-5R!H-inRing_N-4R!H->C_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3990, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(59.332,'m^3/(mol*s)'), n=1.2975, w0=(298.462,'kJ/mol'), E0=(37.7033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2890935075667379, var=2.146502499593098, Tref=1000.0, N=39, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R',), comment="""BM rule fitted to 39 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R + Total Standard Deviation in ln(k): 3.6634923471223444"""), + rank = 11, + shortDesc = """BM rule fitted to 39 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R +Total Standard Deviation in ln(k): 3.6634923471223444""", + longDesc = +""" +BM rule fitted to 39 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R +Total Standard Deviation in ln(k): 3.6634923471223444 +""", +) + +entry( + index = 3991, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C", + kinetics = ArrheniusBM(A=(61.188,'m^3/(mol*s)'), n=1.29312, w0=(297.108,'kJ/mol'), E0=(37.7031,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28976280499384915, var=2.1569028208455543, Tref=1000.0, N=37, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C',), comment="""BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C + Total Standard Deviation in ln(k): 3.672280943658566"""), + rank = 11, + shortDesc = """BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C +Total Standard Deviation in ln(k): 3.672280943658566""", + longDesc = +""" +BM rule fitted to 37 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C +Total Standard Deviation in ln(k): 3.672280943658566 +""", +) + +entry( + index = 3992, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C", + kinetics = ArrheniusBM(A=(3.28874e+09,'m^3/(mol*s)'), n=-1.05171, w0=(297.714,'kJ/mol'), E0=(85.6831,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16102747788987357, var=2.0689115253231805, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C + Total Standard Deviation in ln(k): 3.2881447239503645"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C +Total Standard Deviation in ln(k): 3.2881447239503645""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C +Total Standard Deviation in ln(k): 3.2881447239503645 +""", +) + +entry( + index = 3993, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C", + kinetics = ArrheniusBM(A=(222.624,'m^3/(mol*s)'), n=0.8872, w0=(297.956,'kJ/mol'), E0=(60.6769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17004189573934728, var=0.9525905062723533, Tref=1000.0, N=34, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C',), comment="""BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C + Total Standard Deviation in ln(k): 2.383877277721326"""), + rank = 11, + shortDesc = """BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C +Total Standard Deviation in ln(k): 2.383877277721326""", + longDesc = +""" +BM rule fitted to 34 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C +Total Standard Deviation in ln(k): 2.383877277721326 +""", +) + +entry( + index = 3994, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(316.455,'m^3/(mol*s)'), n=0.84151, w0=(298.621,'kJ/mol'), E0=(61.0282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16315440948723495, var=1.0059390746046974, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 2.4206151023387106"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.4206151023387106""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 2.4206151023387106 +""", +) + +entry( + index = 3995, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(304.341,'m^3/(mol*s)'), n=0.940764, w0=(298.444,'kJ/mol'), E0=(62.6093,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14021476709507139, var=1.5735831954819617, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.867089100090147"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.867089100090147""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.867089100090147 +""", +) + +entry( + index = 3996, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0139535,'m^3/(mol*s)'), n=2.05203, w0=(301,'kJ/mol'), E0=(53.6966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21789444811188552, var=0.43593320171465433, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.8711045884007267"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.8711045884007267""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.8711045884007267 +""", +) + +entry( + index = 3997, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.83895e-06,'m^3/(mol*s)'), n=3.21054, w0=(301,'kJ/mol'), E0=(31.7271,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2311446929606832, var=0.7326016462169496, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 2.296661452287703"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.296661452287703""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.296661452287703 +""", +) + +entry( + index = 3998, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000985,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(43.6675,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 3999, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.000464,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_6R!H-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4000, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.00228802,'m^3/(mol*s)'), n=2.4465, w0=(297.714,'kJ/mol'), E0=(29.2943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1270491930665675, var=1.2224330191389559, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 2.535728212821138"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.535728212821138""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 2.535728212821138 +""", +) + +entry( + index = 4001, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C", + kinetics = ArrheniusBM(A=(0.00470427,'m^3/(mol*s)'), n=2.39001, w0=(301,'kJ/mol'), E0=(45.5774,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26111166422243826, var=0.34463868647208096, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C + Total Standard Deviation in ln(k): 1.83295793963194"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C +Total Standard Deviation in ln(k): 1.83295793963194""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C +Total Standard Deviation in ln(k): 1.83295793963194 +""", +) + +entry( + index = 4002, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R", + kinetics = ArrheniusBM(A=(5414.9,'m^3/(mol*s)'), n=0.611689, w0=(301,'kJ/mol'), E0=(63.8616,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23361487054062383, var=0.39825995309109574, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R + Total Standard Deviation in ln(k): 1.8521170513596132"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R +Total Standard Deviation in ln(k): 1.8521170513596132""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R +Total Standard Deviation in ln(k): 1.8521170513596132 +""", +) + +entry( + index = 4003, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.820718,'m^3/(mol*s)'), n=1.79195, w0=(301,'kJ/mol'), E0=(40.509,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006478539545794651, var=0.5254152127329803, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.4694205928936233"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4694205928936233""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.4694205928936233 +""", +) + +entry( + index = 4004, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(11.3513,'m^3/(mol*s)'), n=1.44643, w0=(301,'kJ/mol'), E0=(37.293,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-8R!H-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4005, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0821659,'m^3/(mol*s)'), n=1.93065, w0=(301,'kJ/mol'), E0=(30.1809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02169951723464017, var=0.004446969477257304, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 0.18820836501975235"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.18820836501975235""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 0.18820836501975235 +""", +) + +entry( + index = 4006, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.105742,'m^3/(mol*s)'), n=1.88928, w0=(301,'kJ/mol'), E0=(28.9859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4007, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0638462,'m^3/(mol*s)'), n=1.97201, w0=(301,'kJ/mol'), E0=(31.3758,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4008, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00218,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(38.3342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4009, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00255,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(42.7826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-2C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4010, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0286398,'m^3/(mol*s)'), n=2.05231, w0=(301,'kJ/mol'), E0=(29.4428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009914379083727706, var=0.2621297457444299, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R + Total Standard Deviation in ln(k): 1.0513069532008026"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 1.0513069532008026""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 1.0513069532008026 +""", +) + +entry( + index = 4011, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0187636,'m^3/(mol*s)'), n=2.08881, w0=(301,'kJ/mol'), E0=(29.9365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4012, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0437143,'m^3/(mol*s)'), n=2.01581, w0=(301,'kJ/mol'), E0=(28.9491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Ext-3C-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4013, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00192,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.8935,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4014, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00249,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.8517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_Sp-2C=1C_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4015, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C", + kinetics = ArrheniusBM(A=(5.03197e-05,'m^3/(mol*s)'), n=2.9952, w0=(289.5,'kJ/mol'), E0=(22.6878,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.05545107895876097, var=5.013552631918247, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C + Total Standard Deviation in ln(k): 4.628119388412208"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C +Total Standard Deviation in ln(k): 4.628119388412208""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C +Total Standard Deviation in ln(k): 4.628119388412208 +""", +) + +entry( + index = 4016, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(4.57416e-06,'m^3/(mol*s)'), n=3.13268, w0=(289.5,'kJ/mol'), E0=(34.9103,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26213555973502944, var=0.7222939905424312, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.362413920226786"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.362413920226786""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.362413920226786 +""", +) + +entry( + index = 4017, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00131,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(45.27,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4018, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00055356,'m^3/(mol*s)'), n=2.85772, w0=(289.5,'kJ/mol'), E0=(29.9653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17411830944950482, var=0.6713803981039312, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 2.080119119408506"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.080119119408506""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 2.080119119408506 +""", +) + +entry( + index = 4019, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0174,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(35.6259,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-2C=1C_N-Sp-7R!H=6R!H_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4020, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C", + kinetics = ArrheniusBM(A=(4.49539e-09,'m^3/(mol*s)'), n=3.90667, w0=(301,'kJ/mol'), E0=(8.32446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04269009198435879, var=0.32973110870144534, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C + Total Standard Deviation in ln(k): 1.258424878347984"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C +Total Standard Deviation in ln(k): 1.258424878347984""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C +Total Standard Deviation in ln(k): 1.258424878347984 +""", +) + +entry( + index = 4021, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(4.81715e-09,'m^3/(mol*s)'), n=3.89451, w0=(301,'kJ/mol'), E0=(18.0048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.035592513155183435, var=0.3336027984533208, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C + Total Standard Deviation in ln(k): 1.2473304993638283"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C +Total Standard Deviation in ln(k): 1.2473304993638283""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C +Total Standard Deviation in ln(k): 1.2473304993638283 +""", +) + +entry( + index = 4022, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R", + kinetics = ArrheniusBM(A=(3.71348e-09,'m^3/(mol*s)'), n=3.9298, w0=(301,'kJ/mol'), E0=(3.21823,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10617128763426804, var=0.8847949246473625, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R + Total Standard Deviation in ln(k): 2.152486777524591"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R +Total Standard Deviation in ln(k): 2.152486777524591""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R +Total Standard Deviation in ln(k): 2.152486777524591 +""", +) + +entry( + index = 4023, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00125636,'m^3/(mol*s)'), n=2.31588, w0=(301,'kJ/mol'), E0=(37.7393,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.839582969852511, var=3.6214684827826398, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 5.9245471329075485"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.9245471329075485""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 5.9245471329075485 +""", +) + +entry( + index = 4024, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00012572,'m^3/(mol*s)'), n=2.61706, w0=(301,'kJ/mol'), E0=(40.0703,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6476598712873045, var=2.46891668004239, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-3C-R + Total Standard Deviation in ln(k): 4.777283588425388"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-3C-R +Total Standard Deviation in ln(k): 4.777283588425388""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_Sp-6R!H-2C_Ext-3C-R +Total Standard Deviation in ln(k): 4.777283588425388 +""", +) + +entry( + index = 4025, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C", + kinetics = ArrheniusBM(A=(0.00163741,'m^3/(mol*s)'), n=2.40571, w0=(301,'kJ/mol'), E0=(48.772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.364733402239832, var=0.3924412485862794, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C + Total Standard Deviation in ln(k): 2.172284506610921"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 2.172284506610921""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C +Total Standard Deviation in ln(k): 2.172284506610921 +""", +) + +entry( + index = 4026, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00136,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(44.9806,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_Sp-2C=1C_N-Sp-6R!H-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4027, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C", + kinetics = ArrheniusBM(A=(0.0139091,'m^3/(mol*s)'), n=2.39627, w0=(289.5,'kJ/mol'), E0=(55.4807,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2432695615676698, var=0.561256507104386, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C + Total Standard Deviation in ln(k): 2.1131185268546164"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C +Total Standard Deviation in ln(k): 2.1131185268546164""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C +Total Standard Deviation in ln(k): 2.1131185268546164 +""", +) + +entry( + index = 4028, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.0107,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(51.7729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Ext-2C-R_N-Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4029, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C", + kinetics = ArrheniusBM(A=(0.000437115,'m^3/(mol*s)'), n=2.56037, w0=(301,'kJ/mol'), E0=(43.565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41224918353199186, var=0.8254873812312096, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C + Total Standard Deviation in ln(k): 2.8572308088136156"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C +Total Standard Deviation in ln(k): 2.8572308088136156""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C +Total Standard Deviation in ln(k): 2.8572308088136156 +""", +) + +entry( + index = 4030, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C_Ext-3C-R", + kinetics = ArrheniusBM(A=(0.00126,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(40.8719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4031, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C", + kinetics = ArrheniusBM(A=(1.24422,'m^3/(mol*s)'), n=1.5548, w0=(289.5,'kJ/mol'), E0=(56.5712,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14114724153342867, var=2.1689839201733827, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C + Total Standard Deviation in ln(k): 3.307109013562854"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C +Total Standard Deviation in ln(k): 3.307109013562854""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C +Total Standard Deviation in ln(k): 3.307109013562854 +""", +) + +entry( + index = 4032, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C_Ext-3C-R", + kinetics = ArrheniusBM(A=(10.0599,'m^3/(mol*s)'), n=1.205, w0=(289.5,'kJ/mol'), E0=(54.8734,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11132376147492644, var=7.06869278267098, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C_Ext-3C-R + Total Standard Deviation in ln(k): 5.609699767708819"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 5.609699767708819""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_4R!H->C_N-Sp-2C=1C_Ext-3C-R +Total Standard Deviation in ln(k): 5.609699767708819 +""", +) + +entry( + index = 4033, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.000105193,'m^3/(mol*s)'), n=3.55802, w0=(289.5,'kJ/mol'), E0=(76.3558,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_1R!H->C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4034, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C", + kinetics = ArrheniusBM(A=(2.75213,'m^3/(mol*s)'), n=1.68738, w0=(286.5,'kJ/mol'), E0=(15.0441,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12911685705232112, var=0.5740378109853539, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C + Total Standard Deviation in ln(k): 1.8433074187231826"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C +Total Standard Deviation in ln(k): 1.8433074187231826""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C +Total Standard Deviation in ln(k): 1.8433074187231826 +""", +) + +entry( + index = 4035, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(9.86258,'m^3/(mol*s)'), n=1.54272, w0=(286.5,'kJ/mol'), E0=(12.9631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_2R!H->C_N-1R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4036, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C", + kinetics = ArrheniusBM(A=(9506.45,'m^3/(mol*s)'), n=0.711404, w0=(323.5,'kJ/mol'), E0=(18.2501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2121205452279223, var=1.722421321409138, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C + Total Standard Deviation in ln(k): 3.164001560016915"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C +Total Standard Deviation in ln(k): 3.164001560016915""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C +Total Standard Deviation in ln(k): 3.164001560016915 +""", +) + +entry( + index = 4037, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C_Ext-3C-R", + kinetics = ArrheniusBM(A=(81566.9,'m^3/(mol*s)'), n=0.469414, w0=(323.5,'kJ/mol'), E0=(15.4944,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_Ext-3C-R_N-2R!H->C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4038, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S", + kinetics = ArrheniusBM(A=(0.00844136,'m^3/(mol*s)'), n=2.51335, w0=(286.5,'kJ/mol'), E0=(22.16,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04607934747412323, var=0.00035231221123501627, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S + Total Standard Deviation in ln(k): 0.1534060955809106"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S +Total Standard Deviation in ln(k): 0.1534060955809106""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S +Total Standard Deviation in ln(k): 0.1534060955809106 +""", +) + +entry( + index = 4039, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00844136,'m^3/(mol*s)'), n=2.51335, w0=(286.5,'kJ/mol'), E0=(20.6418,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_1R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4040, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S", + kinetics = ArrheniusBM(A=(2.9896e+09,'m^3/(mol*s)'), n=-0.983803, w0=(302.963,'kJ/mol'), E0=(94.9715,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10231623161767021, var=16.556846572747414, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S + Total Standard Deviation in ln(k): 8.414364068930418"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S +Total Standard Deviation in ln(k): 8.414364068930418""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S +Total Standard Deviation in ln(k): 8.414364068930418 +""", +) + +entry( + index = 4041, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(1.43463,'m^3/(mol*s)'), n=1.67516, w0=(303.481,'kJ/mol'), E0=(71.5657,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3060166377195279, var=17.260466859485767, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C',), comment="""BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C + Total Standard Deviation in ln(k): 9.097701847807738"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C +Total Standard Deviation in ln(k): 9.097701847807738""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C +Total Standard Deviation in ln(k): 9.097701847807738 +""", +) + +entry( + index = 4042, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_2R!H->S", + kinetics = ArrheniusBM(A=(3.03816,'m^3/(mol*s)'), n=1.82937, w0=(323.5,'kJ/mol'), E0=(29.9106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_2R!H->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_2R!H->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_2R!H->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_2R!H->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4043, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S", + kinetics = ArrheniusBM(A=(0.39986,'m^3/(mol*s)'), n=1.83322, w0=(302.68,'kJ/mol'), E0=(70.193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32678239445321133, var=17.354577435030247, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S',), comment="""BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S + Total Standard Deviation in ln(k): 9.172552172406688"""), + rank = 11, + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S +Total Standard Deviation in ln(k): 9.172552172406688""", + longDesc = +""" +BM rule fitted to 25 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S +Total Standard Deviation in ln(k): 9.172552172406688 +""", +) + +entry( + index = 4044, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(5.14341e+17,'m^3/(mol*s)'), n=-3.51414, w0=(299.083,'kJ/mol'), E0=(131.68,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.599665927344668, var=38.10528332192646, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R + Total Standard Deviation in ln(k): 13.881823097454943"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R +Total Standard Deviation in ln(k): 13.881823097454943""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R +Total Standard Deviation in ln(k): 13.881823097454943 +""", +) + +entry( + index = 4045, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(6.23867e+07,'m^3/(mol*s)'), n=-0.674283, w0=(298.7,'kJ/mol'), E0=(97.9483,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2747426278993899, var=8.415473156278939, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 9.018494104640716"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 9.018494104640716""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 9.018494104640716 +""", +) + +entry( + index = 4046, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0260538,'m^3/(mol*s)'), n=1.94416, w0=(301,'kJ/mol'), E0=(75.0125,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1006466229999083, var=4.015931303331013, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 6.782890507388084"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.782890507388084""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 6.782890507388084 +""", +) + +entry( + index = 4047, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing", + kinetics = ArrheniusBM(A=(0.0211561,'m^3/(mol*s)'), n=2.04648, w0=(301,'kJ/mol'), E0=(67.527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12198706624662466, var=0.5973580975952855, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing + Total Standard Deviation in ln(k): 1.8559387522012136"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.8559387522012136""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing +Total Standard Deviation in ln(k): 1.8559387522012136 +""", +) + +entry( + index = 4048, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(0.00166,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.3728,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_5R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4049, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(6.816e-06,'m^3/(mol*s)'), n=2.961, w0=(301,'kJ/mol'), E0=(65.7979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Ext-6R!H-R_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4050, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(69.5996,'m^3/(mol*s)'), n=1.17866, w0=(301,'kJ/mol'), E0=(70.0491,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.074922956820422, var=0.4204517451200674, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 1.4881639761727954"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 1.4881639761727954""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 1.4881639761727954 +""", +) + +entry( + index = 4051, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(381.482,'m^3/(mol*s)'), n=0.987993, w0=(301,'kJ/mol'), E0=(73.445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1387491755807807, var=0.747858212757106, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R + Total Standard Deviation in ln(k): 2.0822867734855626"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R +Total Standard Deviation in ln(k): 2.0822867734855626""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R +Total Standard Deviation in ln(k): 2.0822867734855626 +""", +) + +entry( + index = 4052, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00828,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.2607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4053, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00272,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.6968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4054, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00318,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(54.4723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Ext-2CNO-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4055, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00239,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.8179,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4056, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0031,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(52.1898,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4057, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(4.28249e-08,'m^3/(mol*s)'), n=3.92106, w0=(289.5,'kJ/mol'), E0=(31.7319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12899230348202673, var=19.672965487258743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 9.215946691733478"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 9.215946691733478""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 9.215946691733478 +""", +) + +entry( + index = 4058, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00221,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(66.2349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4059, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0293,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(59.0026,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_Ext-5R!H-R_N-Sp-2CNO=1CCNNO_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4060, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C", + kinetics = ArrheniusBM(A=(8.78364e+23,'m^3/(mol*s)'), n=-5.41269, w0=(299.083,'kJ/mol'), E0=(158.149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.33529332423437, var=201.40057549922756, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C + Total Standard Deviation in ln(k): 34.31790344636842"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C +Total Standard Deviation in ln(k): 34.31790344636842""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C +Total Standard Deviation in ln(k): 34.31790344636842 +""", +) + +entry( + index = 4061, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(7.59337e+23,'m^3/(mol*s)'), n=-5.40781, w0=(301,'kJ/mol'), E0=(158.617,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.26215683707377, var=220.32414948302755, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 35.44073547553052"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 35.44073547553052""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 35.44073547553052 +""", +) + +entry( + index = 4062, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(0.00268,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.3565,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4063, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C", + kinetics = ArrheniusBM(A=(8.26339e+22,'m^3/(mol*s)'), n=-5.5315, w0=(301,'kJ/mol'), E0=(171.717,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=13.36284574305588, var=434.68330809773653, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C + Total Standard Deviation in ln(k): 75.3718314675373"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C +Total Standard Deviation in ln(k): 75.3718314675373""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C +Total Standard Deviation in ln(k): 75.3718314675373 +""", +) + +entry( + index = 4064, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_Sp-5C-2CNO", + kinetics = ArrheniusBM(A=(2.57758e+21,'m^3/(mol*s)'), n=-5.13644, w0=(301,'kJ/mol'), E0=(170.473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=16.903858280914015, var=662.7610855974574, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_Sp-5C-2CNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_Sp-5C-2CNO + Total Standard Deviation in ln(k): 94.08219951341593"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_Sp-5C-2CNO +Total Standard Deviation in ln(k): 94.08219951341593""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_Sp-5C-2CNO +Total Standard Deviation in ln(k): 94.08219951341593 +""", +) + +entry( + index = 4065, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_N-Sp-5C-2CNO", + kinetics = ArrheniusBM(A=(0.00229,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.8775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_N-Sp-5C-2CNO',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_N-Sp-5C-2CNO + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_N-Sp-5C-2CNO +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_5R!H->C_N-Sp-5C-2CNO +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4066, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.001071,'m^3/(mol*s)'), n=2.72, w0=(301,'kJ/mol'), E0=(72.3391,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_Sp-2CNO=1CCNNO_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4067, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_N-Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(0.0181,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(66.8719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_N-Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_N-Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_4R!H->C_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4068, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.953651,'m^3/(mol*s)'), n=1.80718, w0=(301,'kJ/mol'), E0=(71.9824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9020076267494793, var=2.8024016343505718, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_N-4R!H->C + Total Standard Deviation in ln(k): 5.622352567766549"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_N-4R!H->C +Total Standard Deviation in ln(k): 5.622352567766549""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_Ext-2CNO-R_N-4R!H->C +Total Standard Deviation in ln(k): 5.622352567766549 +""", +) + +entry( + index = 4069, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_1CN->N", + kinetics = ArrheniusBM(A=(0.00183429,'m^3/(mol*s)'), n=2.57866, w0=(288.5,'kJ/mol'), E0=(67.0412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4070, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N", + kinetics = ArrheniusBM(A=(6.3589e-14,'m^3/(mol*s)'), n=5.55444, w0=(315.833,'kJ/mol'), E0=(9.04196,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.3097935730172567, var=18.35132069485258, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N + Total Standard Deviation in ln(k): 14.391474071783614"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N +Total Standard Deviation in ln(k): 14.391474071783614""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N +Total Standard Deviation in ln(k): 14.391474071783614 +""", +) + +entry( + index = 4071, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C", + kinetics = ArrheniusBM(A=(7.2591e-16,'m^3/(mol*s)'), n=5.94388, w0=(324.125,'kJ/mol'), E0=(0.443366,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4112193387394957, var=4.9348177295362685, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C + Total Standard Deviation in ln(k): 5.486623061431474"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C +Total Standard Deviation in ln(k): 5.486623061431474""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C +Total Standard Deviation in ln(k): 5.486623061431474 +""", +) + +entry( + index = 4072, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C", + kinetics = ArrheniusBM(A=(6.85984e-05,'m^3/(mol*s)'), n=2.81051, w0=(301,'kJ/mol'), E0=(64.9446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6709678929493776, var=2.2983307732432574, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C + Total Standard Deviation in ln(k): 4.7250767936804055"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C +Total Standard Deviation in ln(k): 4.7250767936804055""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C +Total Standard Deviation in ln(k): 4.7250767936804055 +""", +) + +entry( + index = 4073, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_4R!H->C", + kinetics = ArrheniusBM(A=(2.40031e-05,'m^3/(mol*s)'), n=2.96247, w0=(301,'kJ/mol'), E0=(65.1526,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2393098382830317, var=5.270783772368371, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_4R!H->C + Total Standard Deviation in ln(k): 7.716352211498904"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_4R!H->C +Total Standard Deviation in ln(k): 7.716352211498904""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_4R!H->C +Total Standard Deviation in ln(k): 7.716352211498904 +""", +) + +entry( + index = 4074, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_N-4R!H->C", + kinetics = ArrheniusBM(A=(24100,'m^3/(mol*s)'), n=-6.19405e-08, w0=(301,'kJ/mol'), E0=(63.6731,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_2CNO->C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4075, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_N-2CNO->C", + kinetics = ArrheniusBM(A=(79400,'m^3/(mol*s)'), n=5.03468e-08, w0=(393.5,'kJ/mol'), E0=(47.7642,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_N-2CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_N-2CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_N-2CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_Sp-2CNO=1C_N-2CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4076, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C", + kinetics = ArrheniusBM(A=(0.000601745,'m^3/(mol*s)'), n=2.7322, w0=(299.25,'kJ/mol'), E0=(47.1799,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9276492916437677, var=6.4617961462493865, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C + Total Standard Deviation in ln(k): 9.93938917145949"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C +Total Standard Deviation in ln(k): 9.93938917145949""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C +Total Standard Deviation in ln(k): 9.93938917145949 +""", +) + +entry( + index = 4077, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_2CNO->C", + kinetics = ArrheniusBM(A=(0.0068,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(65.5295,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_2CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_2CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_2CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_2CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4078, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_N-2CNO->C", + kinetics = ArrheniusBM(A=(0.00333177,'m^3/(mol*s)'), n=2.51948, w0=(309,'kJ/mol'), E0=(49.0463,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_N-2CNO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_N-2CNO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_N-2CNO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_Sp-4R!H-3C_N-2R!H->S_N-1CN->N_N-Sp-2CNO=1C_N-2CNO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4079, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_N-Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(5e+06,'m^3/(mol*s)'), n=-1.69889e-09, w0=(289.5,'kJ/mol'), E0=(56.8664,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_N-Sp-4R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_N-Sp-4R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_3R->C_N-1R!H->S_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4080, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C", + kinetics = ArrheniusBM(A=(6.46924e+10,'m^3/(mol*s)'), n=-1.2115, w0=(308.926,'kJ/mol'), E0=(92.6958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08804302665828292, var=37.935619737461366, Tref=1000.0, N=27, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C',), comment="""BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C + Total Standard Deviation in ln(k): 12.56875759645788"""), + rank = 11, + shortDesc = """BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C +Total Standard Deviation in ln(k): 12.56875759645788""", + longDesc = +""" +BM rule fitted to 27 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C +Total Standard Deviation in ln(k): 12.56875759645788 +""", +) + +entry( + index = 4081, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O", + kinetics = ArrheniusBM(A=(7.43835e-08,'m^3/(mol*s)'), n=3.41621, w0=(399.5,'kJ/mol'), E0=(87.0863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8555255880796017, var=1.6131499406013914, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O + Total Standard Deviation in ln(k): 4.69577258930656"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O +Total Standard Deviation in ln(k): 4.69577258930656""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O +Total Standard Deviation in ln(k): 4.69577258930656 +""", +) + +entry( + index = 4082, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.77061e-08,'m^3/(mol*s)'), n=3.42791, w0=(399.5,'kJ/mol'), E0=(84.8525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9589805767432776, var=2.714361599831737, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R + Total Standard Deviation in ln(k): 5.712364072588335"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.712364072588335""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.712364072588335 +""", +) + +entry( + index = 4083, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(4.245e-08,'m^3/(mol*s)'), n=3.486, w0=(399.5,'kJ/mol'), E0=(80.855,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_2R!H->O_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4084, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O", + kinetics = ArrheniusBM(A=(8.01583e+10,'m^3/(mol*s)'), n=-1.23787, w0=(297.604,'kJ/mol'), E0=(92.9045,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08456738906112354, var=37.926887421795335, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O + Total Standard Deviation in ln(k): 12.55860363008771"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O +Total Standard Deviation in ln(k): 12.55860363008771""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O +Total Standard Deviation in ln(k): 12.55860363008771 +""", +) + +entry( + index = 4085, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0", + kinetics = ArrheniusBM(A=(8.20421e+10,'m^3/(mol*s)'), n=-1.2407, w0=(295.725,'kJ/mol'), E0=(92.943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08524545916686703, var=37.982834433071, Tref=1000.0, N=20, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0',), comment="""BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0 + Total Standard Deviation in ln(k): 12.569410023451903"""), + rank = 11, + shortDesc = """BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0 +Total Standard Deviation in ln(k): 12.569410023451903""", + longDesc = +""" +BM rule fitted to 20 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0 +Total Standard Deviation in ln(k): 12.569410023451903 +""", +) + +entry( + index = 4086, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S", + kinetics = ArrheniusBM(A=(1.37914e-06,'m^3/(mol*s)'), n=3.47088, w0=(271.333,'kJ/mol'), E0=(85.0022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7070112659750434, var=25.144179093264356, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S + Total Standard Deviation in ln(k): 11.828948137642927"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S +Total Standard Deviation in ln(k): 11.828948137642927""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S +Total Standard Deviation in ln(k): 11.828948137642927 +""", +) + +entry( + index = 4087, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C", + kinetics = ArrheniusBM(A=(7.46008e-06,'m^3/(mol*s)'), n=3.20481, w0=(275.25,'kJ/mol'), E0=(67.3013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6489852559896713, var=0.009479293946170066, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C + Total Standard Deviation in ln(k): 1.8258005674842979"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C +Total Standard Deviation in ln(k): 1.8258005674842979""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C +Total Standard Deviation in ln(k): 1.8258005674842979 +""", +) + +entry( + index = 4088, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_2CNS->C", + kinetics = ArrheniusBM(A=(4.21e-06,'m^3/(mol*s)'), n=3.3, w0=(264,'kJ/mol'), E0=(67.0971,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_2CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_2CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4089, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_N-2CNS->C", + kinetics = ArrheniusBM(A=(3.19e-05,'m^3/(mol*s)'), n=3, w0=(286.5,'kJ/mol'), E0=(68.4707,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_N-2CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_N-2CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4090, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_N-1R!H->C", + kinetics = ArrheniusBM(A=(1.34e-05,'m^3/(mol*s)'), n=3.3, w0=(263.5,'kJ/mol'), E0=(126.474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_4R!H->S_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4091, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S", + kinetics = ArrheniusBM(A=(574304,'m^3/(mol*s)'), n=0.320485, w0=(300.029,'kJ/mol'), E0=(47.2686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11700561403522966, var=3.7592468597984943, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S',), comment="""BM rule fitted to 17 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S + Total Standard Deviation in ln(k): 4.180920155060283"""), + rank = 11, + shortDesc = """BM rule fitted to 17 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S +Total Standard Deviation in ln(k): 4.180920155060283""", + longDesc = +""" +BM rule fitted to 17 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S +Total Standard Deviation in ln(k): 4.180920155060283 +""", +) + +entry( + index = 4092, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O", + kinetics = ArrheniusBM(A=(1.34855e-06,'m^3/(mol*s)'), n=3.52485, w0=(306.179,'kJ/mol'), E0=(38.302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.47494257134019685, var=0.6630058694076932, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O + Total Standard Deviation in ln(k): 2.8256820357251202"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O +Total Standard Deviation in ln(k): 2.8256820357251202""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O +Total Standard Deviation in ln(k): 2.8256820357251202 +""", +) + +entry( + index = 4093, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R", + kinetics = ArrheniusBM(A=(0.000211362,'m^3/(mol*s)'), n=2.88896, w0=(307,'kJ/mol'), E0=(40.352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38434251561780236, var=0.3755598567717395, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R + Total Standard Deviation in ln(k): 2.194245279877421"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.194245279877421""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.194245279877421 +""", +) + +entry( + index = 4094, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R", + kinetics = ArrheniusBM(A=(0.000765495,'m^3/(mol*s)'), n=2.73118, w0=(307,'kJ/mol'), E0=(38.916,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3493899549444556, var=0.526298277598236, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R + Total Standard Deviation in ln(k): 2.332227699010572"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.332227699010572""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R +Total Standard Deviation in ln(k): 2.332227699010572 +""", +) + +entry( + index = 4095, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.75723e-05,'m^3/(mol*s)'), n=3.19611, w0=(307,'kJ/mol'), E0=(32.1605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.42587911997274996, var=0.022940642793457193, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.3736885980318545"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3736885980318545""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3736885980318545 +""", +) + +entry( + index = 4096, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.69e-06,'m^3/(mol*s)'), n=3.44, w0=(307,'kJ/mol'), E0=(25.9008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4097, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.77367e-06,'m^3/(mol*s)'), n=3.39701, w0=(307,'kJ/mol'), E0=(38.0593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.501132329149904, var=0.004265703616344748, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 1.3900604226822253"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3900604226822253""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 1.3900604226822253 +""", +) + +entry( + index = 4098, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.72e-07,'m^3/(mol*s)'), n=3.7, w0=(307,'kJ/mol'), E0=(32.7645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Ext-2CNS-R_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4099, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H", + kinetics = ArrheniusBM(A=(3.90584e-13,'m^3/(mol*s)'), n=5.41352, w0=(307,'kJ/mol'), E0=(28.416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6928220195567159, var=0.5914258446514389, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H + Total Standard Deviation in ln(k): 3.282484638289141"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H +Total Standard Deviation in ln(k): 3.282484638289141""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H +Total Standard Deviation in ln(k): 3.282484638289141 +""", +) + +entry( + index = 4100, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(1.3457e-12,'m^3/(mol*s)'), n=5.22445, w0=(307,'kJ/mol'), E0=(27.4817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7634941508131227, var=0.7154034568621052, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R + Total Standard Deviation in ln(k): 3.613962536144453"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.613962536144453""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R +Total Standard Deviation in ln(k): 3.613962536144453 +""", +) + +entry( + index = 4101, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C", + kinetics = ArrheniusBM(A=(2.3546e-16,'m^3/(mol*s)'), n=6.3052, w0=(307,'kJ/mol'), E0=(17.729,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7421629365663993, var=0.6904401768469346, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C + Total Standard Deviation in ln(k): 3.5305201002197935"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C +Total Standard Deviation in ln(k): 3.5305201002197935""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C +Total Standard Deviation in ln(k): 3.5305201002197935 +""", +) + +entry( + index = 4102, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(2.00795e-08,'m^3/(mol*s)'), n=4.00911, w0=(307,'kJ/mol'), E0=(38.7923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.9234757888103697, var=4.3186287795532605, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 8.998956009282049"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 8.998956009282049""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 8.998956009282049 +""", +) + +entry( + index = 4103, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_4CO->C", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=1.48105e-08, w0=(307,'kJ/mol'), E0=(62.7341,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4104, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_N-4CO->C", + kinetics = ArrheniusBM(A=(3.37e-07,'m^3/(mol*s)'), n=3.67, w0=(307,'kJ/mol'), E0=(42.2458,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_N-4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_N-4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_Ext-1R!H-R_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4105, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_4CO->C", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=1.44892e-08, w0=(307,'kJ/mol'), E0=(80.1387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4106, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_N-4CO->C", + kinetics = ArrheniusBM(A=(1.06e-05,'m^3/(mol*s)'), n=3.29, w0=(307,'kJ/mol'), E0=(44.608,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_N-4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_N-4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_5R!H->C_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4107, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.000486681,'m^3/(mol*s)'), n=2.49948, w0=(307,'kJ/mol'), E0=(40.8918,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_Ext-1R!H-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4108, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_4CO->C", + kinetics = ArrheniusBM(A=(100000,'m^3/(mol*s)'), n=-5.66195e-09, w0=(307,'kJ/mol'), E0=(86.1897,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4109, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_N-4CO->C", + kinetics = ArrheniusBM(A=(3.56e-05,'m^3/(mol*s)'), n=3.22, w0=(307,'kJ/mol'), E0=(52.5992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_N-4CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_N-4CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_Sp-2CNS=1R!H_N-4CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4110, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_N-Sp-2CNS=1R!H", + kinetics = ArrheniusBM(A=(520000,'m^3/(mol*s)'), n=3.98655e-08, w0=(295.5,'kJ/mol'), E0=(76.6005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_N-Sp-2CNS=1R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_N-Sp-2CNS=1R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_N-Sp-2CNS=1R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_3OS->O_N-Sp-2CNS=1R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4111, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O", + kinetics = ArrheniusBM(A=(640.024,'m^3/(mol*s)'), n=1.18213, w0=(271.333,'kJ/mol'), E0=(35.2449,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6120302004866095, var=5.045559900045372, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O + Total Standard Deviation in ln(k): 6.040865164801857"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O +Total Standard Deviation in ln(k): 6.040865164801857""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O +Total Standard Deviation in ln(k): 6.040865164801857 +""", +) + +entry( + index = 4112, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C", + kinetics = ArrheniusBM(A=(13.4566,'m^3/(mol*s)'), n=1.6454, w0=(275.25,'kJ/mol'), E0=(34.679,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14352702100058953, var=3.8072008243302298, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C + Total Standard Deviation in ln(k): 4.272269696868198"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C +Total Standard Deviation in ln(k): 4.272269696868198""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C +Total Standard Deviation in ln(k): 4.272269696868198 +""", +) + +entry( + index = 4113, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_2CNS->C", + kinetics = ArrheniusBM(A=(7.39e-05,'m^3/(mol*s)'), n=3.1, w0=(264,'kJ/mol'), E0=(17.7967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_2CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_2CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4114, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_N-2CNS->C", + kinetics = ArrheniusBM(A=(0.0289841,'m^3/(mol*s)'), n=2.46201, w0=(286.5,'kJ/mol'), E0=(19.9577,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_N-2CNS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_N-2CNS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_1R!H->C_N-2CNS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4115, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_N-1R!H->C", + kinetics = ArrheniusBM(A=(227.536,'m^3/(mol*s)'), n=1.34539, w0=(263.5,'kJ/mol'), E0=(4.56056,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_N-1R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_N-1R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_4R!H-u0_N-4R!H->S_N-3OS->O_N-1R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4116, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0", + kinetics = ArrheniusBM(A=(1.19098e+11,'m^3/(mol*s)'), n=-1.35936, w0=(307,'kJ/mol'), E0=(73.8699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7517378635799903, var=5.325178643274514, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0 + Total Standard Deviation in ln(k): 6.514985149963151"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0 +Total Standard Deviation in ln(k): 6.514985149963151""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0 +Total Standard Deviation in ln(k): 6.514985149963151 +""", +) + +entry( + index = 4117, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R", + kinetics = ArrheniusBM(A=(3.09802e+13,'m^3/(mol*s)'), n=-2.03695, w0=(307,'kJ/mol'), E0=(84.0958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.8381518263401699, var=29.6634264973539, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R + Total Standard Deviation in ln(k): 13.024526494245539"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R +Total Standard Deviation in ln(k): 13.024526494245539""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R +Total Standard Deviation in ln(k): 13.024526494245539 +""", +) + +entry( + index = 4118, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00013,'m^3/(mol*s)'), n=3.01, w0=(307,'kJ/mol'), E0=(50.2689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-2CNS-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4119, + label = "Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(5417.03,'m^3/(mol*s)'), n=0.762578, w0=(307,'kJ/mol'), E0=(24.5766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-1R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-1R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_Ext-3R-R_N-Sp-4R!H=3R_N-3R->C_N-2R!H->O_N-4R!H-u0_Ext-1R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4120, + label = "Root_N-3R-inRing_3R->C", + kinetics = ArrheniusBM(A=(1.71091e+10,'m^3/(mol*s)'), n=-1.18225, w0=(302.036,'kJ/mol'), E0=(89.4753,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1510186602988133, var=6.986636935258025, Tref=1000.0, N=193, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C',), comment="""BM rule fitted to 193 training reactions at node Root_N-3R-inRing_3R->C + Total Standard Deviation in ln(k): 5.678409189344057"""), + rank = 11, + shortDesc = """BM rule fitted to 193 training reactions at node Root_N-3R-inRing_3R->C +Total Standard Deviation in ln(k): 5.678409189344057""", + longDesc = +""" +BM rule fitted to 193 training reactions at node Root_N-3R-inRing_3R->C +Total Standard Deviation in ln(k): 5.678409189344057 +""", +) + +entry( + index = 4121, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(0.169951,'m^3/(mol*s)'), n=1.97008, w0=(300.423,'kJ/mol'), E0=(73.8607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09341974725388082, var=5.819557917390774, Tref=1000.0, N=156, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R',), comment="""BM rule fitted to 156 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R + Total Standard Deviation in ln(k): 5.070897750175338"""), + rank = 11, + shortDesc = """BM rule fitted to 156 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.070897750175338""", + longDesc = +""" +BM rule fitted to 156 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R +Total Standard Deviation in ln(k): 5.070897750175338 +""", +) + +entry( + index = 4122, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R", + kinetics = ArrheniusBM(A=(6.97336e-14,'m^3/(mol*s)'), n=5.33869, w0=(304.851,'kJ/mol'), E0=(25.9459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.259264086083826, var=5.650144167053507, Tref=1000.0, N=67, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R',), comment="""BM rule fitted to 67 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R + Total Standard Deviation in ln(k): 7.92924179061128"""), + rank = 11, + shortDesc = """BM rule fitted to 67 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.92924179061128""", + longDesc = +""" +BM rule fitted to 67 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R +Total Standard Deviation in ln(k): 7.92924179061128 +""", +) + +entry( + index = 4123, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(16083.9,'m^3/(mol*s)'), n=0.5003, w0=(300.208,'kJ/mol'), E0=(87.8335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21573119510267683, var=3.0358975299744864, Tref=1000.0, N=53, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 53 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 4.035053928212073"""), + rank = 11, + shortDesc = """BM rule fitted to 53 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.035053928212073""", + longDesc = +""" +BM rule fitted to 53 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 4.035053928212073 +""", +) + +entry( + index = 4124, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(1.61245,'m^3/(mol*s)'), n=1.52907, w0=(297.182,'kJ/mol'), E0=(81.9358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47666349459909424, var=1.7411802413081814, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 3.842970863992343"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.842970863992343""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 3.842970863992343 +""", +) + +entry( + index = 4125, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.26752,'m^3/(mol*s)'), n=1.69332, w0=(301,'kJ/mol'), E0=(83.4184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015747091008244386, var=1.1206639437713506, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.161806499080537"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.161806499080537""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.161806499080537 +""", +) + +entry( + index = 4126, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(0.00500834,'m^3/(mol*s)'), n=2.28186, w0=(301,'kJ/mol'), E0=(82.2775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0864578302017699, var=0.7574239955333025, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.9619538617018266"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.9619538617018266""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.9619538617018266 +""", +) + +entry( + index = 4127, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0026,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(81.6533,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4128, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.0236648,'m^3/(mol*s)'), n=2.22867, w0=(301,'kJ/mol'), E0=(75.8928,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0509476312606186, var=0.054931552511296305, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 0.5978685306926147"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.5978685306926147""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 0.5978685306926147 +""", +) + +entry( + index = 4129, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00840908,'m^3/(mol*s)'), n=2.37831, w0=(301,'kJ/mol'), E0=(75.1081,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09646052821564828, var=0.024503404535984, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.5561756114364388"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5561756114364388""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.5561756114364388 +""", +) + +entry( + index = 4130, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(0.013,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(82.3666,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4131, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00427,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.4975,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4132, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00499,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Ext-2R!H-R_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4133, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00376,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.7625,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4134, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00488,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.9193,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_Ext-4R!H-R_Ext-7R!H-R_Ext-6R!H-R_N-6R!H-inRing_N-Sp-9R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4135, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00014444,'m^3/(mol*s)'), n=2.6469, w0=(259,'kJ/mol'), E0=(71.3053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4136, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000467829,'m^3/(mol*s)'), n=2.66742, w0=(301,'kJ/mol'), E0=(70.3232,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.02686835656155587, var=0.7946511516956606, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.8545935917108756"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.8545935917108756""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.8545935917108756 +""", +) + +entry( + index = 4137, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00421,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.0003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4138, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00335,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.9211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4139, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0036,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.2981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4140, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.225958,'m^3/(mol*s)'), n=1.97545, w0=(301,'kJ/mol'), E0=(70.6227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07412490221493656, var=0.8033241703979036, Tref=1000.0, N=42, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 42 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.9830545095349996"""), + rank = 11, + shortDesc = """BM rule fitted to 42 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.9830545095349996""", + longDesc = +""" +BM rule fitted to 42 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.9830545095349996 +""", +) + +entry( + index = 4141, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(1.20991,'m^3/(mol*s)'), n=1.7666, w0=(301,'kJ/mol'), E0=(72.479,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06974226883633049, var=0.7382264021060517, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.8977022654666946"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.8977022654666946""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.8977022654666946 +""", +) + +entry( + index = 4142, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(8.22762e-13,'m^3/(mol*s)'), n=5.18513, w0=(301,'kJ/mol'), E0=(34.0343,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9316829513908843, var=1.077450485667531, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 4.42183321152129"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.42183321152129""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 4.42183321152129 +""", +) + +entry( + index = 4143, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00104213,'m^3/(mol*s)'), n=2.63273, w0=(301,'kJ/mol'), E0=(72.1938,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14409942350597185, var=0.31568457211522555, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.4884355795012065"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4884355795012065""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.4884355795012065 +""", +) + +entry( + index = 4144, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0159946,'m^3/(mol*s)'), n=2.30321, w0=(301,'kJ/mol'), E0=(74.7114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11816586187163607, var=0.17191029157237925, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.1281037310398383"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.1281037310398383""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.1281037310398383 +""", +) + +entry( + index = 4145, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.011,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.4755,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4146, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00518,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.8277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4147, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00547,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.5379,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4148, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing", + kinetics = ArrheniusBM(A=(5.85083e-05,'m^3/(mol*s)'), n=2.89746, w0=(301,'kJ/mol'), E0=(68.2542,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.156773132669625, var=0.4620780151189713, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing + Total Standard Deviation in ln(k): 1.7566474851407454"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7566474851407454""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing +Total Standard Deviation in ln(k): 1.7566474851407454 +""", +) + +entry( + index = 4149, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00517956,'m^3/(mol*s)'), n=2.3498, w0=(301,'kJ/mol'), E0=(72.6681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11816631685498867, var=0.24653016085734983, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.2922874185163828"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2922874185163828""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2922874185163828 +""", +) + +entry( + index = 4150, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.00517,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(73.1874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4151, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00244,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.6217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4152, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00258,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3566,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_6R!H-inRing_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4153, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing", + kinetics = ArrheniusBM(A=(0.02446,'m^3/(mol*s)'), n=2.18, w0=(301,'kJ/mol'), E0=(63.798,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-6R!H-R_N-6R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4154, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.116055,'m^3/(mol*s)'), n=2.16043, w0=(301,'kJ/mol'), E0=(69.4149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08302565473554568, var=0.21360785482726696, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1351502140664578"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1351502140664578""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1351502140664578 +""", +) + +entry( + index = 4155, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(0.000522007,'m^3/(mol*s)'), n=2.91879, w0=(301,'kJ/mol'), E0=(66.1115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19176293960311555, var=0.342242179966867, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 1.6546158880630837"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6546158880630837""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 1.6546158880630837 +""", +) + +entry( + index = 4156, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0301843,'m^3/(mol*s)'), n=2.42422, w0=(301,'kJ/mol'), E0=(71.9349,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17495012600260662, var=0.34559237424486755, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.6180989006334041"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.6180989006334041""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.6180989006334041 +""", +) + +entry( + index = 4157, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0548,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.6682,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4158, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0259,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.3007,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4159, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0273,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.3711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-8R!H-R_Ext-4R!H-R_N-Sp-10R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4160, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0368384,'m^3/(mol*s)'), n=2.27054, w0=(301,'kJ/mol'), E0=(64.5573,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04960707156992794, var=0.1031982404497403, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.7686516613757468"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.7686516613757468""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.7686516613757468 +""", +) + +entry( + index = 4161, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0180631,'m^3/(mol*s)'), n=2.41916, w0=(301,'kJ/mol'), E0=(64.7513,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04682573242391306, var=0.005274475614679697, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.2632476520453421"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.2632476520453421""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.2632476520453421 +""", +) + +entry( + index = 4162, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.018,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4163, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.021,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8767,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4164, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0085259,'m^3/(mol*s)'), n=2.41922, w0=(301,'kJ/mol'), E0=(62.2575,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.031199258330259237, var=0.005809942433164533, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 0.23119697476963733"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.23119697476963733""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.23119697476963733 +""", +) + +entry( + index = 4165, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00849,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.3409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4166, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00993,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.3826,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4167, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00903921,'m^3/(mol*s)'), n=2.41884, w0=(301,'kJ/mol'), E0=(61.8139,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16498803479630186, var=0.005897540615698624, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 0.568497326542422"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.568497326542422""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 0.568497326542422 +""", +) + +entry( + index = 4168, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00897,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4169, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.0105,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.9368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4170, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00798,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.5667,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4171, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(0.00933,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.6111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Ext-2R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4172, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(3.45215e-11,'m^3/(mol*s)'), n=4.82136, w0=(301,'kJ/mol'), E0=(28.0632,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06607273280534595, var=0.8175165652845853, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.9786256416870447"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.9786256416870447""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.9786256416870447 +""", +) + +entry( + index = 4173, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0128388,'m^3/(mol*s)'), n=2.37606, w0=(301,'kJ/mol'), E0=(64.3481,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06175971020047332, var=0.2777488911983372, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.2117083699370297"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2117083699370297""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2117083699370297 +""", +) + +entry( + index = 4174, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0158,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.7274,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4175, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00748,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.9363,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4176, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0079,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4177, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H", + kinetics = ArrheniusBM(A=(7.16754e-05,'m^3/(mol*s)'), n=3.0436, w0=(301,'kJ/mol'), E0=(58.1351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08424568136948901, var=0.4194560003615174, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H + Total Standard Deviation in ln(k): 1.510047717184801"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.510047717184801""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H +Total Standard Deviation in ln(k): 1.510047717184801 +""", +) + +entry( + index = 4178, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0244296,'m^3/(mol*s)'), n=2.32819, w0=(301,'kJ/mol'), E0=(65.0447,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.037182140615316814, var=0.25481366693270785, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.1053941189118979"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.1053941189118979""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.1053941189118979 +""", +) + +entry( + index = 4179, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0205,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.29,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4180, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0097,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.7801,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4181, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0102,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.3939,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Ext-6R!H-R_N-Sp-7R!H=6R!H_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4182, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(1.30381e-15,'m^3/(mol*s)'), n=6.08847, w0=(301,'kJ/mol'), E0=(15.1546,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.22689114080593614, var=0.4535243344984508, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 1.9201513515254016"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 1.9201513515254016""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 1.9201513515254016 +""", +) + +entry( + index = 4183, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(3.13428e-06,'m^3/(mol*s)'), n=3.41496, w0=(301,'kJ/mol'), E0=(53.6948,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11053013797157055, var=0.6778207843756836, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.9282097401209681"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9282097401209681""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.9282097401209681 +""", +) + +entry( + index = 4184, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0209326,'m^3/(mol*s)'), n=2.32936, w0=(301,'kJ/mol'), E0=(62.3563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.010054659473331572, var=0.14919491698819198, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.7996070801316285"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.7996070801316285""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.7996070801316285 +""", +) + +entry( + index = 4185, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0177,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.5433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4186, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00838,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.7064,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4187, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00885,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.5497,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4188, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.74822e-16,'m^3/(mol*s)'), n=6.18641, w0=(301,'kJ/mol'), E0=(16.5008,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09527542986698787, var=1.5355796265318202, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.723623270347789"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.723623270347789""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.723623270347789 +""", +) + +entry( + index = 4189, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0141,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.5446,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4190, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00666,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(74.1149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4191, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00704,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(62.5454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4192, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H", + kinetics = ArrheniusBM(A=(1.54567e-05,'m^3/(mol*s)'), n=3.11579, w0=(301,'kJ/mol'), E0=(62.9291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10391018016129099, var=1.871873184506931, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H + Total Standard Deviation in ln(k): 3.0038875494366"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 3.0038875494366""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H +Total Standard Deviation in ln(k): 3.0038875494366 +""", +) + +entry( + index = 4193, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00880564,'m^3/(mol*s)'), n=2.41779, w0=(301,'kJ/mol'), E0=(70.1968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06206962222592145, var=0.36575684372663536, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.3683741822273559"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.3683741822273559""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.3683741822273559 +""", +) + +entry( + index = 4194, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0152,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.6324,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4195, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00716,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.2805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4196, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00757,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.8966,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_Ext-2R!H-R_N-4R!H-inRing_N-Sp-6R!H-2R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4197, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F", + kinetics = ArrheniusBM(A=(1.75201e-09,'m^3/(mol*s)'), n=4.228, w0=(393.5,'kJ/mol'), E0=(14.7184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.39955601619603504, var=2.0706774410553526, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F + Total Standard Deviation in ln(k): 3.888693022688612"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F +Total Standard Deviation in ln(k): 3.888693022688612""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F +Total Standard Deviation in ln(k): 3.888693022688612 +""", +) + +entry( + index = 4198, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_3C-u1", + kinetics = ArrheniusBM(A=(0.000120113,'m^3/(mol*s)'), n=2.79634, w0=(393.5,'kJ/mol'), E0=(27.7307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4199, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_N-3C-u1", + kinetics = ArrheniusBM(A=(3.92683e-05,'m^3/(mol*s)'), n=3.02759, w0=(393.5,'kJ/mol'), E0=(42.737,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_4R!H->F_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4200, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F", + kinetics = ArrheniusBM(A=(8.3965e-14,'m^3/(mol*s)'), n=5.29629, w0=(310.583,'kJ/mol'), E0=(28.0042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1691710855768949, var=5.110422151192271, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F + Total Standard Deviation in ln(k): 7.469568590866995"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F +Total Standard Deviation in ln(k): 7.469568590866995""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F +Total Standard Deviation in ln(k): 7.469568590866995 +""", +) + +entry( + index = 4201, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_2R!H->O", + kinetics = ArrheniusBM(A=(31600,'m^3/(mol*s)'), n=-1.12725e-10, w0=(393.5,'kJ/mol'), E0=(56.7658,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4202, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O", + kinetics = ArrheniusBM(A=(9.77361e-10,'m^3/(mol*s)'), n=4.13613, w0=(303.045,'kJ/mol'), E0=(52.5517,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2196011395322661, var=5.352376402773085, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O + Total Standard Deviation in ln(k): 7.702319866024454"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O +Total Standard Deviation in ln(k): 7.702319866024454""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O +Total Standard Deviation in ln(k): 7.702319866024454 +""", +) + +entry( + index = 4203, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.000263,'m^3/(mol*s)'), n=2.89, w0=(301,'kJ/mol'), E0=(61.3942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4204, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(2.58676e-05,'m^3/(mol*s)'), n=2.85738, w0=(303.25,'kJ/mol'), E0=(67.7989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3514679575617841, var=1.0560041544879377, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing + Total Standard Deviation in ln(k): 2.94319243912403"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.94319243912403""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing +Total Standard Deviation in ln(k): 2.94319243912403 +""", +) + +entry( + index = 4205, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R", + kinetics = ArrheniusBM(A=(3.98438e-05,'m^3/(mol*s)'), n=2.84746, w0=(301,'kJ/mol'), E0=(70.5445,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07373885914359489, var=1.8680868522525484, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R + Total Standard Deviation in ln(k): 2.9253047993094805"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 2.9253047993094805""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R +Total Standard Deviation in ln(k): 2.9253047993094805 +""", +) + +entry( + index = 4206, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.21291e-06,'m^3/(mol*s)'), n=3.07941, w0=(301,'kJ/mol'), E0=(68.8538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10881560455820177, var=1.0762991724738722, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 2.3532152302257807"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3532152302257807""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 2.3532152302257807 +""", +) + +entry( + index = 4207, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_4C-inRing", + kinetics = ArrheniusBM(A=(0.00334,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.5376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_4C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_4C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_4C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4208, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing", + kinetics = ArrheniusBM(A=(3.65574e-06,'m^3/(mol*s)'), n=3.11936, w0=(301,'kJ/mol'), E0=(68.4659,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13912972086612005, var=1.1444920207558684, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing + Total Standard Deviation in ln(k): 2.4942564700081404"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.4942564700081404""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing +Total Standard Deviation in ln(k): 2.4942564700081404 +""", +) + +entry( + index = 4209, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.003292,'m^3/(mol*s)'), n=2.35, w0=(301,'kJ/mol'), E0=(78.1401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-6R!H-R_N-4C-inRing_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4210, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.014,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.4158,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4211, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(0.00664,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.5681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Sp-6R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Sp-6R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_Sp-6R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4212, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_N-Sp-6R!H=4C", + kinetics = ArrheniusBM(A=(0.00701,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(72.9683,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_N-Sp-6R!H=4C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_N-Sp-6R!H=4C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_Ext-4C-R_N-Sp-6R!H=4C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4213, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_2CS->C", + kinetics = ArrheniusBM(A=(0.000330666,'m^3/(mol*s)'), n=2.71522, w0=(301,'kJ/mol'), E0=(69.6493,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.27860989426676924, var=0.36131202654261485, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_2CS->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_2CS->C + Total Standard Deviation in ln(k): 1.9050558009672973"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_2CS->C +Total Standard Deviation in ln(k): 1.9050558009672973""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_2CS->C +Total Standard Deviation in ln(k): 1.9050558009672973 +""", +) + +entry( + index = 4214, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_N-2CS->C", + kinetics = ArrheniusBM(A=(0.000195,'m^3/(mol*s)'), n=2.6, w0=(323.5,'kJ/mol'), E0=(70.5618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_N-2CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_N-2CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Ext-1R!H-R_N-4R!H->F_N-2R!H->O_N-1R!H-inRing_N-2CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4215, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H", + kinetics = ArrheniusBM(A=(1.00828e-18,'m^3/(mol*s)'), n=6.98486, w0=(259,'kJ/mol'), E0=(7.79016,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3702123844405766, var=7.995919099474142, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H + Total Standard Deviation in ln(k): 6.598982524662259"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 6.598982524662259""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 6.598982524662259 +""", +) + +entry( + index = 4216, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(0.000643,'m^3/(mol*s)'), n=2.8, w0=(259,'kJ/mol'), E0=(60.7143,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4217, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(9.44923e-19,'m^3/(mol*s)'), n=6.98481, w0=(259,'kJ/mol'), E0=(8.40534,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4352083121736619, var=9.26690939196047, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 7.1962223197579185"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 7.1962223197579185""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 7.1962223197579185 +""", +) + +entry( + index = 4218, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.0016782,'m^3/(mol*s)'), n=2.32609, w0=(259,'kJ/mol'), E0=(69.0955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4219, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00169193,'m^3/(mol*s)'), n=2.311, w0=(259,'kJ/mol'), E0=(66.495,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4220, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-6R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00394569,'m^3/(mol*s)'), n=2.31104, w0=(259,'kJ/mol'), E0=(69.7875,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-6R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-6R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-6R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_Sp-2R!H-=1R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-5R!H-2R!H_Ext-6R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4221, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H", + kinetics = ArrheniusBM(A=(680.244,'m^3/(mol*s)'), n=1.05459, w0=(300.852,'kJ/mol'), E0=(83.7629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3424634175026916, var=2.6292686492138895, Tref=1000.0, N=81, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H',), comment="""BM rule fitted to 81 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H + Total Standard Deviation in ln(k): 4.111142731810217"""), + rank = 11, + shortDesc = """BM rule fitted to 81 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 4.111142731810217""", + longDesc = +""" +BM rule fitted to 81 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H +Total Standard Deviation in ln(k): 4.111142731810217 +""", +) + +entry( + index = 4222, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(9.17398e+08,'m^3/(mol*s)'), n=-0.65244, w0=(299.331,'kJ/mol'), E0=(97.5061,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2276566304295919, var=2.9048459751567957, Tref=1000.0, N=62, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 62 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 3.988793604603077"""), + rank = 11, + shortDesc = """BM rule fitted to 62 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.988793604603077""", + longDesc = +""" +BM rule fitted to 62 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 3.988793604603077 +""", +) + +entry( + index = 4223, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.18306e+09,'m^3/(mol*s)'), n=-0.759551, w0=(299.432,'kJ/mol'), E0=(98.4322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23568346202224574, var=2.9437379926195733, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 44 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 4.031758617680377"""), + rank = 11, + shortDesc = """BM rule fitted to 44 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.031758617680377""", + longDesc = +""" +BM rule fitted to 44 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 4.031758617680377 +""", +) + +entry( + index = 4224, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H", + kinetics = ArrheniusBM(A=(0.00483896,'m^3/(mol*s)'), n=2.57281, w0=(301,'kJ/mol'), E0=(72.6414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9578138460860568, var=3.777404090792783, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H + Total Standard Deviation in ln(k): 6.302879331558132"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 6.302879331558132""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 6.302879331558132 +""", +) + +entry( + index = 4225, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00830885,'m^3/(mol*s)'), n=2.52761, w0=(301,'kJ/mol'), E0=(73.7135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.6032681125423864, var=16.25205984770021, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing + Total Standard Deviation in ln(k): 14.622732289005182"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing +Total Standard Deviation in ln(k): 14.622732289005182""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing +Total Standard Deviation in ln(k): 14.622732289005182 +""", +) + +entry( + index = 4226, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(0.005064,'m^3/(mol*s)'), n=2.608, w0=(301,'kJ/mol'), E0=(72.631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4227, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.00923216,'m^3/(mol*s)'), n=2.22014, w0=(301,'kJ/mol'), E0=(80.3417,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.013578569145673349, var=0.5504037813770144, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 1.5214139803000892"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.5214139803000892""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 1.5214139803000892 +""", +) + +entry( + index = 4228, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00292,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(79.5397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4229, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.0025119,'m^3/(mol*s)'), n=2.5317, w0=(301,'kJ/mol'), E0=(69.7435,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.016498861627174632, var=0.3900874602158559, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.2935514528930971"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.2935514528930971""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.2935514528930971 +""", +) + +entry( + index = 4230, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00110241,'m^3/(mol*s)'), n=2.68095, w0=(301,'kJ/mol'), E0=(68.5492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004373351347815931, var=0.343756204625414, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1863790527810412"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1863790527810412""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1863790527810412 +""", +) + +entry( + index = 4231, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0140923,'m^3/(mol*s)'), n=2.37731, w0=(301,'kJ/mol'), E0=(70.5019,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06837381030846111, var=0.00711482645781791, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.34089175570088676"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.34089175570088676""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.34089175570088676 +""", +) + +entry( + index = 4232, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0103,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.9134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4233, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0114,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.3835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4234, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00450602,'m^3/(mol*s)'), n=2.42575, w0=(301,'kJ/mol'), E0=(68.8231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03380106101896133, var=0.0005950725352325176, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.13383101421922436"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.13383101421922436""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.13383101421922436 +""", +) + +entry( + index = 4235, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00487,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.3995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4236, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00537,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.6152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4237, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H", + kinetics = ArrheniusBM(A=(2.62239e+09,'m^3/(mol*s)'), n=-0.781458, w0=(299.029,'kJ/mol'), E0=(97.5356,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2469258664146455, var=3.2472264464248264, Tref=1000.0, N=35, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H',), comment="""BM rule fitted to 35 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H + Total Standard Deviation in ln(k): 4.232961845114767"""), + rank = 11, + shortDesc = """BM rule fitted to 35 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 4.232961845114767""", + longDesc = +""" +BM rule fitted to 35 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H +Total Standard Deviation in ln(k): 4.232961845114767 +""", +) + +entry( + index = 4238, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_Int-5R!H-4R!H", + kinetics = ArrheniusBM(A=(1273.21,'m^3/(mol*s)'), n=1.15563, w0=(301,'kJ/mol'), E0=(41.4571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_Int-5R!H-4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_Int-5R!H-4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_Int-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_Int-5R!H-4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4239, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(4.18806e+06,'m^3/(mol*s)'), n=0.00825653, w0=(301,'kJ/mol'), E0=(90.6326,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18416601596226315, var=3.616154471392046, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing + Total Standard Deviation in ln(k): 4.27497081209376"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.27497081209376""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing +Total Standard Deviation in ln(k): 4.27497081209376 +""", +) + +entry( + index = 4240, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing", + kinetics = ArrheniusBM(A=(3.51956e+06,'m^3/(mol*s)'), n=0.03282, w0=(301,'kJ/mol'), E0=(90.2131,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19016480088184717, var=3.680831140909095, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing + Total Standard Deviation in ln(k): 4.323983942659301"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 4.323983942659301""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing +Total Standard Deviation in ln(k): 4.323983942659301 +""", +) + +entry( + index = 4241, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H", + kinetics = ArrheniusBM(A=(405.819,'m^3/(mol*s)'), n=1.12199, w0=(301,'kJ/mol'), E0=(78.5698,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12141075170272587, var=3.0517238298629072, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H + Total Standard Deviation in ln(k): 3.8071606956845496"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H +Total Standard Deviation in ln(k): 3.8071606956845496""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H +Total Standard Deviation in ln(k): 3.8071606956845496 +""", +) + +entry( + index = 4242, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_Sp-6R!H-=4R!H", + kinetics = ArrheniusBM(A=(0.003206,'m^3/(mol*s)'), n=2.611, w0=(301,'kJ/mol'), E0=(70.8586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_Sp-6R!H-=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_Sp-6R!H-=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4243, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H", + kinetics = ArrheniusBM(A=(2.82495,'m^3/(mol*s)'), n=1.73467, w0=(301,'kJ/mol'), E0=(69.2872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.051301575817858415, var=4.169636074139787, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H + Total Standard Deviation in ln(k): 4.222504663604301"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 4.222504663604301""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H +Total Standard Deviation in ln(k): 4.222504663604301 +""", +) + +entry( + index = 4244, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.001235,'m^3/(mol*s)'), n=2.88, w0=(301,'kJ/mol'), E0=(55.5654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4245, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.06427e-08,'m^3/(mol*s)'), n=4.16424, w0=(301,'kJ/mol'), E0=(40.8549,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1033928366258479, var=6.912260735606836, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 5.530465798367763"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.530465798367763""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 5.530465798367763 +""", +) + +entry( + index = 4246, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.000251737,'m^3/(mol*s)'), n=3.08727, w0=(301,'kJ/mol'), E0=(79.3262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_1R!H-inRing_Int-6R!H-4R!H_N-Sp-6R!H-=4R!H_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4247, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing", + kinetics = ArrheniusBM(A=(0.216173,'m^3/(mol*s)'), n=1.96775, w0=(301,'kJ/mol'), E0=(76.3654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.008736805507578825, var=0.10612311401265197, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing + Total Standard Deviation in ln(k): 0.6750251529387222"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.6750251529387222""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing +Total Standard Deviation in ln(k): 0.6750251529387222 +""", +) + +entry( + index = 4248, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.135809,'m^3/(mol*s)'), n=2.04652, w0=(301,'kJ/mol'), E0=(76.0868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04788953751929635, var=0.0839208794062357, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 0.7010791940412073"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.7010791940412073""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 0.7010791940412073 +""", +) + +entry( + index = 4249, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.5135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4250, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00479,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(68.4362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4251, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0056,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.9336,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4252, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00422,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.8569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4253, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.00547,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.6168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_4R!H-inRing_N-1R!H-inRing_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4254, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(162.248,'m^3/(mol*s)'), n=1.24554, w0=(297.864,'kJ/mol'), E0=(76.5917,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.427296131019013, var=1.6741246493678152, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.667494367675525"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.667494367675525""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.667494367675525 +""", +) + +entry( + index = 4255, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.03241,'m^3/(mol*s)'), n=2.171, w0=(301,'kJ/mol'), E0=(61.9631,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4256, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.00122464,'m^3/(mol*s)'), n=2.76108, w0=(301,'kJ/mol'), E0=(60.0942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.039269076431600325, var=0.5002501593482248, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.5165823608765319"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.5165823608765319""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.5165823608765319 +""", +) + +entry( + index = 4257, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.112535,'m^3/(mol*s)'), n=2.21952, w0=(301,'kJ/mol'), E0=(67.3278,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.018832728742234652, var=0.42159398008388727, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.348998287540393"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.348998287540393""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.348998287540393 +""", +) + +entry( + index = 4258, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(0.00263496,'m^3/(mol*s)'), n=2.77269, w0=(301,'kJ/mol'), E0=(63.5512,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2640968806174748, var=0.3210365640121029, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 1.7994446725913713"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7994446725913713""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 1.7994446725913713 +""", +) + +entry( + index = 4259, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00134018,'m^3/(mol*s)'), n=2.87035, w0=(301,'kJ/mol'), E0=(60.8593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09148136826413286, var=0.09248188583486909, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.8395093517387563"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8395093517387563""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8395093517387563 +""", +) + +entry( + index = 4260, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0516,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(66.2249,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4261, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0569,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.9437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-7R!H-R_Ext-4R!H-R_N-Sp-9R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4262, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000166686,'m^3/(mol*s)'), n=3.00074, w0=(301,'kJ/mol'), E0=(53.3297,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013576739217806175, var=0.03329820739963808, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.39993238567417105"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.39993238567417105""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.39993238567417105 +""", +) + +entry( + index = 4263, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0171807,'m^3/(mol*s)'), n=2.4178, w0=(301,'kJ/mol'), E0=(58.8319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10436633066760101, var=0.006629383416588797, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 0.42545454761822993"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 0.42545454761822993""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 0.42545454761822993 +""", +) + +entry( + index = 4264, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0169,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.8992,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4265, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0198,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.9544,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4266, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00806549,'m^3/(mol*s)'), n=2.52418, w0=(301,'kJ/mol'), E0=(61.8911,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.038064160956629685, var=0.1209427944075734, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H + Total Standard Deviation in ln(k): 0.7928219164904362"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 0.7928219164904362""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H +Total Standard Deviation in ln(k): 0.7928219164904362 +""", +) + +entry( + index = 4267, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0187,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.7218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4268, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0218,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.0429,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Ext-4R!H-R_N-Sp-8R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4269, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0128,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(71.2739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4270, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.015,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.1785,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-2R!H-R_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4271, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.02867e-05,'m^3/(mol*s)'), n=3.25329, w0=(301,'kJ/mol'), E0=(50.8547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01728317512303435, var=0.14570663620098237, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.8086632877848376"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8086632877848376""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.8086632877848376 +""", +) + +entry( + index = 4272, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0275287,'m^3/(mol*s)'), n=2.34971, w0=(301,'kJ/mol'), E0=(59.9416,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0994316148766104, var=0.0905821846927718, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 0.8531907758045981"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 0.8531907758045981""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 0.8531907758045981 +""", +) + +entry( + index = 4273, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0149,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.1323,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4274, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0193,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.3802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4275, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.00471093,'m^3/(mol*s)'), n=2.58148, w0=(301,'kJ/mol'), E0=(62.5965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0016986460155080053, var=0.4019416120897162, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 1.2752472460837463"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 1.2752472460837463""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 1.2752472460837463 +""", +) + +entry( + index = 4276, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0164,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.9329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4277, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0213,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.6583,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4278, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0113,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.0653,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4279, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(0.0147,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(78.4063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4280, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(4.54158e-11,'m^3/(mol*s)'), n=5.0809, w0=(289.5,'kJ/mol'), E0=(25.8086,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3811362334586967, var=4.913185093319559, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 5.4012655011733015"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.4012655011733015""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 5.4012655011733015 +""", +) + +entry( + index = 4281, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(4.14448e-12,'m^3/(mol*s)'), n=5.21798, w0=(289.5,'kJ/mol'), E0=(19.022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.32824838983044136, var=2.0836872922917387, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.7185763396462925"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.7185763396462925""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.7185763396462925 +""", +) + +entry( + index = 4282, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.0106003,'m^3/(mol*s)'), n=2.48893, w0=(289.5,'kJ/mol'), E0=(80.3813,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.040432786560467934, var=2.5238530672382375, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 3.2864402130241825"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.2864402130241825""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 3.2864402130241825 +""", +) + +entry( + index = 4283, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.012,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(82.3316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4284, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0333,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.2347,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4285, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H", + kinetics = ArrheniusBM(A=(4.97673e-10,'m^3/(mol*s)'), n=4.94383, w0=(289.5,'kJ/mol'), E0=(12.525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49980369984599704, var=1.8432113114325295, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H + Total Standard Deviation in ln(k): 3.9775151359366885"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.9775151359366885""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H +Total Standard Deviation in ln(k): 3.9775151359366885 +""", +) + +entry( + index = 4286, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(13.2856,'m^3/(mol*s)'), n=1.92279, w0=(289.5,'kJ/mol'), E0=(81.8796,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017253767741284003, var=1.2215470323964754, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.2590569311447064"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.2590569311447064""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.2590569311447064 +""", +) + +entry( + index = 4287, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.159,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.3436,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4288, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H", + kinetics = ArrheniusBM(A=(0.441,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(77.4192,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_Ext-5R!H-R_N-Sp-6R!H-=5R!H_N-4R!H-inRing_N-Sp-2R!H=1R!H_N-Sp-6R!H=5R!H_Ext-4R!H-R_N-Sp-7R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4289, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000810958,'m^3/(mol*s)'), n=2.61337, w0=(301,'kJ/mol'), E0=(69.4639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11510030105657307, var=0.6304696992705604, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing + Total Standard Deviation in ln(k): 1.880998930095771"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.880998930095771""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing +Total Standard Deviation in ln(k): 1.880998930095771 +""", +) + +entry( + index = 4290, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00473,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.6874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4291, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00376,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(70.2779,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-5R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4292, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(0.00404,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(76.3005,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-5R!H-2R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_4R!H-inRing_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4293, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(5.13692e-10,'m^3/(mol*s)'), n=4.59759, w0=(298.7,'kJ/mol'), E0=(46.4191,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1874608311216981, var=1.6990839862520413, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing + Total Standard Deviation in ln(k): 3.084157552361341"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.084157552361341""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing +Total Standard Deviation in ln(k): 3.084157552361341 +""", +) + +entry( + index = 4294, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(2.83494e-11,'m^3/(mol*s)'), n=5.02262, w0=(297.864,'kJ/mol'), E0=(40.881,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1866861614525953, var=0.8116492744907043, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H',), comment="""BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 2.275158208534147"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 2.275158208534147""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 2.275158208534147 +""", +) + +entry( + index = 4295, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.06739e-09,'m^3/(mol*s)'), n=4.48958, w0=(301,'kJ/mol'), E0=(45.1849,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1290905123790834, var=0.26922899207886425, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.3645505422690654"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.3645505422690654""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.3645505422690654 +""", +) + +entry( + index = 4296, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(0.00132797,'m^3/(mol*s)'), n=2.70343, w0=(301,'kJ/mol'), E0=(60.8112,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.060004866124556286, var=0.1916161135120167, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 1.028318283630044"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 1.028318283630044""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 1.028318283630044 +""", +) + +entry( + index = 4297, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00126812,'m^3/(mol*s)'), n=2.72252, w0=(301,'kJ/mol'), E0=(59.6485,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.137546771298381, var=0.19562978157139535, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.2322903415198905"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2322903415198905""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.2322903415198905 +""", +) + +entry( + index = 4298, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(6.51173e-05,'m^3/(mol*s)'), n=3.10625, w0=(301,'kJ/mol'), E0=(56.2009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1467224293819952, var=1.2927655405127985, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 2.6480300532019183"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.6480300532019183""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 2.6480300532019183 +""", +) + +entry( + index = 4299, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0167,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(67.1089,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4300, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0184,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.7397,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Ext-2R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4301, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0133,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(61.06,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4302, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(63.44,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4303, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0127,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.8413,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4304, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(0.055534,'m^3/(mol*s)'), n=2.39845, w0=(301,'kJ/mol'), E0=(98.9955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05006527384972029, var=0.7978794074895906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 1.916503624669147"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 1.916503624669147""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 1.916503624669147 +""", +) + +entry( + index = 4305, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.0573,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(96.282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_Sp-2R!H=1R!H_N-Sp-4R!H-1R!H_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4306, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(1.17751,'m^3/(mol*s)'), n=2.19779, w0=(289.5,'kJ/mol'), E0=(77.1077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02312318299957299, var=0.3257537950766821, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 1.2022978911665814"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.2022978911665814""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 1.2022978911665814 +""", +) + +entry( + index = 4307, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.01854,'m^3/(mol*s)'), n=2.18226, w0=(289.5,'kJ/mol'), E0=(75.986,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0007124220634407728, var=0.9262348519772179, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 1.9311690114501534"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.9311690114501534""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 1.9311690114501534 +""", +) + +entry( + index = 4308, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0981,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.7647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4309, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.272,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(74.9104,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_Sp-5R!H-2R!H_N-Sp-2R!H=1R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4310, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H", + kinetics = ArrheniusBM(A=(0.0290254,'m^3/(mol*s)'), n=2.199, w0=(301,'kJ/mol'), E0=(70.6197,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12990640417617208, var=2.9840165643953642, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H + Total Standard Deviation in ln(k): 3.7894387682654056"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 3.7894387682654056""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H +Total Standard Deviation in ln(k): 3.7894387682654056 +""", +) + +entry( + index = 4311, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(3.53689e-09,'m^3/(mol*s)'), n=4.30912, w0=(301,'kJ/mol'), E0=(50.5859,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04240988783075233, var=1.7457527366557155, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.755352551155653"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.755352551155653""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.755352551155653 +""", +) + +entry( + index = 4312, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0143,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(65.8936,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4313, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0158,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(75.5604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Ext-2R!H-R_N-4R!H-inRing_N-Sp-5R!H-2R!H_Ext-4R!H-R_N-Sp-6R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4314, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.000153718,'m^3/(mol*s)'), n=2.92371, w0=(310.167,'kJ/mol'), E0=(64.6472,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5363947949450418, var=3.9658109531340293, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H',), comment="""BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 7.852586817280166"""), + rank = 11, + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 7.852586817280166""", + longDesc = +""" +BM rule fitted to 15 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 7.852586817280166 +""", +) + +entry( + index = 4315, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S", + kinetics = ArrheniusBM(A=(5.53079e-05,'m^3/(mol*s)'), n=3.04419, w0=(323.5,'kJ/mol'), E0=(61.1316,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2730745320080945, var=4.198152508478353, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S + Total Standard Deviation in ln(k): 7.306260338788481"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S +Total Standard Deviation in ln(k): 7.306260338788481""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S +Total Standard Deviation in ln(k): 7.306260338788481 +""", +) + +entry( + index = 4316, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_4R!H->C", + kinetics = ArrheniusBM(A=(0.000871,'m^3/(mol*s)'), n=2.7, w0=(323.5,'kJ/mol'), E0=(65.4804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4317, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.0232,'m^3/(mol*s)'), n=2.35, w0=(323.5,'kJ/mol'), E0=(59.1786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_2R!H->S_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4318, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S", + kinetics = ArrheniusBM(A=(1.27301e-17,'m^3/(mol*s)'), n=6.69805, w0=(308.115,'kJ/mol'), E0=(17.4322,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0420386494998022, var=3.954453162157584, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S',), comment="""BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S + Total Standard Deviation in ln(k): 6.604765025793436"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S +Total Standard Deviation in ln(k): 6.604765025793436""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S +Total Standard Deviation in ln(k): 6.604765025793436 +""", +) + +entry( + index = 4319, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0", + kinetics = ArrheniusBM(A=(1.21578e-17,'m^3/(mol*s)'), n=6.70463, w0=(308.708,'kJ/mol'), E0=(17.4863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0418951121057969, var=4.014421353958059, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0 + Total Standard Deviation in ln(k): 6.634518315260075"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0 +Total Standard Deviation in ln(k): 6.634518315260075""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0 +Total Standard Deviation in ln(k): 6.634518315260075 +""", +) + +entry( + index = 4320, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.95805e-05,'m^3/(mol*s)'), n=3.04043, w0=(301,'kJ/mol'), E0=(64.1862,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7951215645027307, var=0.8218015105395408, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_4R!H-inRing + Total Standard Deviation in ln(k): 3.815150749790596"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_4R!H-inRing +Total Standard Deviation in ln(k): 3.815150749790596""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_4R!H-inRing +Total Standard Deviation in ln(k): 3.815150749790596 +""", +) + +entry( + index = 4321, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.73151e-18,'m^3/(mol*s)'), n=6.74726, w0=(310.25,'kJ/mol'), E0=(18.1941,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.3639886833987718, var=5.454321643772477, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing + Total Standard Deviation in ln(k): 8.109063610030772"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing +Total Standard Deviation in ln(k): 8.109063610030772""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing +Total Standard Deviation in ln(k): 8.109063610030772 +""", +) + +entry( + index = 4322, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.46324,'m^3/(mol*s)'), n=1.74075, w0=(301,'kJ/mol'), E0=(84.7614,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.23492370606528842, var=16.07542695262014, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 8.628080035993891"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 8.628080035993891""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 8.628080035993891 +""", +) + +entry( + index = 4323, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.45491,'m^3/(mol*s)'), n=1.5187, w0=(301,'kJ/mol'), E0=(87.7431,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11263278639984206, var=19.153326182387136, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 9.056622432433329"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 9.056622432433329""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 9.056622432433329 +""", +) + +entry( + index = 4324, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(0.02056,'m^3/(mol*s)'), n=2.169, w0=(301,'kJ/mol'), E0=(71.5913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4325, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0132,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.0176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4326, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0146,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(64.5638,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4327, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C", + kinetics = ArrheniusBM(A=(2.91572e-05,'m^3/(mol*s)'), n=3.22608, w0=(301,'kJ/mol'), E0=(75.7979,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.29990682761866255, var=2.2688067248125288, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C + Total Standard Deviation in ln(k): 3.773178706840912"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C +Total Standard Deviation in ln(k): 3.773178706840912""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C +Total Standard Deviation in ln(k): 3.773178706840912 +""", +) + +entry( + index = 4328, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(0.000607818,'m^3/(mol*s)'), n=2.77033, w0=(301,'kJ/mol'), E0=(64.3385,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.134236632118343, var=4.055895237115788, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_Sp-4R!H-1R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 6.88722753766534"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 6.88722753766534""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 6.88722753766534 +""", +) + +entry( + index = 4329, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H", + kinetics = ArrheniusBM(A=(0.617389,'m^3/(mol*s)'), n=2.00257, w0=(301,'kJ/mol'), E0=(91.6568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.2434695248162868, var=2.803752254440982, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H + Total Standard Deviation in ln(k): 6.481105651945788"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 6.481105651945788""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H +Total Standard Deviation in ln(k): 6.481105651945788 +""", +) + +entry( + index = 4330, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_4R!H->C", + kinetics = ArrheniusBM(A=(0.039,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(104.052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4331, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_N-4R!H->C", + kinetics = ArrheniusBM(A=(1.7315,'m^3/(mol*s)'), n=1.87352, w0=(301,'kJ/mol'), E0=(92.7655,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_2CO->C_N-Sp-4R!H-1R!H_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4332, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_N-2CO->C", + kinetics = ArrheniusBM(A=(8.04,'m^3/(mol*s)'), n=1.68, w0=(393.5,'kJ/mol'), E0=(67.2582,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_N-2CO->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_N-2CO->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_N-2CO->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_4R!H-u0_N-4R!H-inRing_N-2CO->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4333, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_N-4R!H-u0", + kinetics = ArrheniusBM(A=(0.000335,'m^3/(mol*s)'), n=2.68, w0=(301,'kJ/mol'), E0=(39.0459,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_N-4R!H-u0',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_N-4R!H-u0 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_Sp-2R!H=1R!H_N-2R!H->S_N-4R!H-u0 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4334, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H", + kinetics = ArrheniusBM(A=(0.15298,'m^3/(mol*s)'), n=2.62221, w0=(289.5,'kJ/mol'), E0=(86.7676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1823772076970862, var=3.476850867564571, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H + Total Standard Deviation in ln(k): 6.708889306009463"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.708889306009463""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H +Total Standard Deviation in ln(k): 6.708889306009463 +""", +) + +entry( + index = 4335, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.5632,'m^3/(mol*s)'), n=2.488, w0=(289.5,'kJ/mol'), E0=(89.0102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4336, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.00276756,'m^3/(mol*s)'), n=2.82919, w0=(289.5,'kJ/mol'), E0=(74.0345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07604778385317046, var=1.4951309799213957, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 2.642375648792124"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.642375648792124""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 2.642375648792124 +""", +) + +entry( + index = 4337, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.000254589,'m^3/(mol*s)'), n=3.09247, w0=(289.5,'kJ/mol'), E0=(70.8656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06511678774373762, var=4.3113090091534065, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.326180166325627"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.326180166325627""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.326180166325627 +""", +) + +entry( + index = 4338, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0369,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(80.2024,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4339, + label = "Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.102,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(75.0784,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_Ext-1R!H-R_N-Sp-2R!H-=1R!H_N-Sp-2R!H=1R!H_N-4R!H-inRing_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4340, + label = "Root_N-3R-inRing_3R->C_3C-u1", + kinetics = ArrheniusBM(A=(0.831346,'m^3/(mol*s)'), n=1.97842, w0=(305.903,'kJ/mol'), E0=(57.5563,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2040839410853147, var=2.1175823613799016, Tref=1000.0, N=36, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1',), comment="""BM rule fitted to 36 training reactions at node Root_N-3R-inRing_3R->C_3C-u1 + Total Standard Deviation in ln(k): 3.4300472068235996"""), + rank = 11, + shortDesc = """BM rule fitted to 36 training reactions at node Root_N-3R-inRing_3R->C_3C-u1 +Total Standard Deviation in ln(k): 3.4300472068235996""", + longDesc = +""" +BM rule fitted to 36 training reactions at node Root_N-3R-inRing_3R->C_3C-u1 +Total Standard Deviation in ln(k): 3.4300472068235996 +""", +) + +entry( + index = 4341, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S", + kinetics = ArrheniusBM(A=(0.110287,'m^3/(mol*s)'), n=2.49626, w0=(286.5,'kJ/mol'), E0=(68.1699,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.043310153041805965, var=0.18433118956690556, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S + Total Standard Deviation in ln(k): 0.9695285951790411"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S +Total Standard Deviation in ln(k): 0.9695285951790411""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S +Total Standard Deviation in ln(k): 0.9695285951790411 +""", +) + +entry( + index = 4342, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.184305,'m^3/(mol*s)'), n=2.43653, w0=(286.5,'kJ/mol'), E0=(68.7993,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.033392445532993614, var=0.2765553769987504, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R + Total Standard Deviation in ln(k): 1.1381613783451356"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1381613783451356""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R +Total Standard Deviation in ln(k): 1.1381613783451356 +""", +) + +entry( + index = 4343, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(0.00102154,'m^3/(mol*s)'), n=3.21078, w0=(286.5,'kJ/mol'), E0=(69.7705,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.059130434614412475, var=1.0123766742639528, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.1656718346476516"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.1656718346476516""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.1656718346476516 +""", +) + +entry( + index = 4344, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00168,'m^3/(mol*s)'), n=3.1, w0=(286.5,'kJ/mol'), E0=(70.6781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-4R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4345, + label = "Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R", + kinetics = ArrheniusBM(A=(0.00529,'m^3/(mol*s)'), n=2.7, w0=(286.5,'kJ/mol'), E0=(55.4338,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_1R!H->S_Ext-2R!H-R_Ext-2R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4346, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S", + kinetics = ArrheniusBM(A=(4.40232e+09,'m^3/(mol*s)'), n=-1.77464, w0=(309.783,'kJ/mol'), E0=(9.13261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6356253792363957, var=3.2262734902728636, Tref=1000.0, N=30, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S',), comment="""BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S + Total Standard Deviation in ln(k): 5.197919824471707"""), + rank = 11, + shortDesc = """BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S +Total Standard Deviation in ln(k): 5.197919824471707""", + longDesc = +""" +BM rule fitted to 30 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S +Total Standard Deviation in ln(k): 5.197919824471707 +""", +) + +entry( + index = 4347, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S", + kinetics = ArrheniusBM(A=(0.0251422,'m^3/(mol*s)'), n=2.70267, w0=(323.5,'kJ/mol'), E0=(40.0022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_2R!H->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4348, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S", + kinetics = ArrheniusBM(A=(4.50917e+09,'m^3/(mol*s)'), n=-1.77879, w0=(309.31,'kJ/mol'), E0=(7.6989,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6461741648071808, var=3.20466914994016, Tref=1000.0, N=29, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S',), comment="""BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S + Total Standard Deviation in ln(k): 5.212347665935895"""), + rank = 11, + shortDesc = """BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S +Total Standard Deviation in ln(k): 5.212347665935895""", + longDesc = +""" +BM rule fitted to 29 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S +Total Standard Deviation in ln(k): 5.212347665935895 +""", +) + +entry( + index = 4349, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(8.81605e-06,'m^3/(mol*s)'), n=3.4064, w0=(298.909,'kJ/mol'), E0=(65.2845,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.19674218058175566, var=8.645292280317083, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R + Total Standard Deviation in ln(k): 6.388825154508473"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R +Total Standard Deviation in ln(k): 6.388825154508473""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R +Total Standard Deviation in ln(k): 6.388825154508473 +""", +) + +entry( + index = 4350, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO", + kinetics = ArrheniusBM(A=(2.58637e-08,'m^3/(mol*s)'), n=4.14661, w0=(298.579,'kJ/mol'), E0=(44.0863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04546770094724159, var=7.858180447851691, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO',), comment="""BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO + Total Standard Deviation in ln(k): 5.734003292139932"""), + rank = 11, + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 5.734003292139932""", + longDesc = +""" +BM rule fitted to 19 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 5.734003292139932 +""", +) + +entry( + index = 4351, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_2CNO-inRing", + kinetics = ArrheniusBM(A=(0.00279927,'m^3/(mol*s)'), n=2.27106, w0=(301,'kJ/mol'), E0=(59.3846,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_2CNO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_2CNO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_2CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_2CNO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4352, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing", + kinetics = ArrheniusBM(A=(7065.28,'m^3/(mol*s)'), n=0.979697, w0=(298.444,'kJ/mol'), E0=(82.9856,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04208423781678752, var=3.5774626828394727, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing',), comment="""BM rule fitted to 18 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing + Total Standard Deviation in ln(k): 3.8975316366047243"""), + rank = 11, + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing +Total Standard Deviation in ln(k): 3.8975316366047243""", + longDesc = +""" +BM rule fitted to 18 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing +Total Standard Deviation in ln(k): 3.8975316366047243 +""", +) + +entry( + index = 4353, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(906.033,'m^3/(mol*s)'), n=1.26419, w0=(298.536,'kJ/mol'), E0=(80.827,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.008738971226930257, var=4.370254686200645, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 14 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.212886789636032"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.212886789636032""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.212886789636032 +""", +) + +entry( + index = 4354, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(0.0211382,'m^3/(mol*s)'), n=2.38935, w0=(301,'kJ/mol'), E0=(65.6221,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.025697090956485695, var=0.1459037617624827, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 0.8303212477793849"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 0.8303212477793849""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 0.8303212477793849 +""", +) + +entry( + index = 4355, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C", + kinetics = ArrheniusBM(A=(0.0006075,'m^3/(mol*s)'), n=2.969, w0=(301,'kJ/mol'), E0=(68.6593,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4356, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C", + kinetics = ArrheniusBM(A=(0.532,'m^3/(mol*s)'), n=1.85, w0=(301,'kJ/mol'), E0=(62.1433,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_Sp-5R!H-4R!H_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4357, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(5.47684e-10,'m^3/(mol*s)'), n=4.85387, w0=(298.125,'kJ/mol'), E0=(11.8362,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3142815121489599, var=6.006963238805355, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 5.703078684013572"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.703078684013572""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 5.703078684013572 +""", +) + +entry( + index = 4358, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(0.144737,'m^3/(mol*s)'), n=2.1772, w0=(301,'kJ/mol'), E0=(61.516,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009763058660322562, var=0.5982433969044357, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 1.5751166117491326"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 1.5751166117491326""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 1.5751166117491326 +""", +) + +entry( + index = 4359, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.000674345,'m^3/(mol*s)'), n=2.83732, w0=(301,'kJ/mol'), E0=(52.9428,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5683826656905288, var=1.5063626297449109, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing + Total Standard Deviation in ln(k): 3.888588009055887"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing +Total Standard Deviation in ln(k): 3.888588009055887""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing +Total Standard Deviation in ln(k): 3.888588009055887 +""", +) + +entry( + index = 4360, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(0.0163,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(69.2976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing_Ext-2CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing_Ext-2CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4361, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(68.9615,'m^3/(mol*s)'), n=1.46456, w0=(301,'kJ/mol'), E0=(70.5809,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04008304217899066, var=0.5930127224762034, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing + Total Standard Deviation in ln(k): 1.644503903290266"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.644503903290266""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing +Total Standard Deviation in ln(k): 1.644503903290266 +""", +) + +entry( + index = 4362, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(170.693,'m^3/(mol*s)'), n=1.3727, w0=(301,'kJ/mol'), E0=(71.5503,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14831944096981303, var=0.8499068197680961, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R + Total Standard Deviation in ln(k): 2.2208350188862545"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 2.2208350188862545""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R +Total Standard Deviation in ln(k): 2.2208350188862545 +""", +) + +entry( + index = 4363, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(0.0816,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.2744,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4364, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0268,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(53.5981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4365, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0313,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.3842,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Ext-2CNO-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4366, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0236,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(60.4321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4367, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0306,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(57.5273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-2CNO=1CCNNO_N-4R!H-inRing_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4368, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(0.00203236,'m^3/(mol*s)'), n=3.28268, w0=(289.5,'kJ/mol'), E0=(73.6317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.4082054156869583, var=6.712457560478016, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 8.732154577753082"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 8.732154577753082""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 8.732154577753082 +""", +) + +entry( + index = 4369, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.0217,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(71.0912,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_Sp-5R!H=4R!H',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4370, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(0.326733,'m^3/(mol*s)'), n=2.66844, w0=(289.5,'kJ/mol'), E0=(80.4789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4777354410991577, var=0.7880684452083855, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 2.9800081694628395"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.9800081694628395""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 2.9800081694628395 +""", +) + +entry( + index = 4371, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_4R!H-inRing", + kinetics = ArrheniusBM(A=(0.7134,'m^3/(mol*s)'), n=2.58, w0=(289.5,'kJ/mol'), E0=(82.3443,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4372, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(0.289,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(53.3412,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-2CNO=1CCNNO_N-Sp-5R!H=4R!H_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4373, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C", + kinetics = ArrheniusBM(A=(0.3539,'m^3/(mol*s)'), n=2.15668, w0=(297.167,'kJ/mol'), E0=(66.2387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08657079757309663, var=0.4124860688119506, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C + Total Standard Deviation in ln(k): 1.5050572407855383"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C +Total Standard Deviation in ln(k): 1.5050572407855383""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C +Total Standard Deviation in ln(k): 1.5050572407855383 +""", +) + +entry( + index = 4374, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(0.0402439,'m^3/(mol*s)'), n=2.3433, w0=(301,'kJ/mol'), E0=(60.0102,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06834017011550905, var=0.12699605282989831, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 0.886126497393909"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 0.886126497393909""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 0.886126497393909 +""", +) + +entry( + index = 4375, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R", + kinetics = ArrheniusBM(A=(0.0264,'m^3/(mol*s)'), n=2.41, w0=(301,'kJ/mol'), E0=(59.028,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_Sp-2CNO=1CCNNO_Ext-2CNO-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4376, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_N-Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(0.178,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(72.3033,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_N-Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_N-Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_4R!H->C_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4377, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.04167,'m^3/(mol*s)'), n=2.299, w0=(301,'kJ/mol'), E0=(66.6496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_Sp-4R!H-2CNO_N-2CNO-inRing_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4378, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO", + kinetics = ArrheniusBM(A=(0.303084,'m^3/(mol*s)'), n=2.08131, w0=(301,'kJ/mol'), E0=(95.1339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.4962166299507471, var=5.506847635815678, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO + Total Standard Deviation in ln(k): 8.463784611005034"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 8.463784611005034""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO +Total Standard Deviation in ln(k): 8.463784611005034 +""", +) + +entry( + index = 4379, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C", + kinetics = ArrheniusBM(A=(43.829,'m^3/(mol*s)'), n=1.205, w0=(301,'kJ/mol'), E0=(70.465,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030511383250018013, var=10.686723223296656, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C + Total Standard Deviation in ln(k): 6.630251801892332"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C +Total Standard Deviation in ln(k): 6.630251801892332""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_4R!H->C +Total Standard Deviation in ln(k): 6.630251801892332 +""", +) + +entry( + index = 4380, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C", + kinetics = ArrheniusBM(A=(0.560775,'m^3/(mol*s)'), n=2.01066, w0=(301,'kJ/mol'), E0=(96.5981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Ext-2CNO-R_N-Sp-4R!H-2CNO_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4381, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(1.07714e-12,'m^3/(mol*s)'), n=5.3621, w0=(338,'kJ/mol'), E0=(0.595676,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.715849582457327, var=7.647018719968327, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 9.854922565472183"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 9.854922565472183""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 9.854922565472183 +""", +) + +entry( + index = 4382, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->C", + kinetics = ArrheniusBM(A=(0.0015435,'m^3/(mol*s)'), n=2.78989, w0=(301,'kJ/mol'), E0=(69.0133,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4658324182214375, var=1.5475357207793152, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->C + Total Standard Deviation in ln(k): 3.6643234229046144"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->C +Total Standard Deviation in ln(k): 3.6643234229046144""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_2CNO->C +Total Standard Deviation in ln(k): 3.6643234229046144 +""", +) + +entry( + index = 4383, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->C", + kinetics = ArrheniusBM(A=(0.000400166,'m^3/(mol*s)'), n=2.87822, w0=(393.5,'kJ/mol'), E0=(37.629,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.495139075269746, var=43.31416252212521, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->C + Total Standard Deviation in ln(k): 24.488181678935636"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->C +Total Standard Deviation in ln(k): 24.488181678935636""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_Sp-2CNO=1CCNNO_N-2CNO->C +Total Standard Deviation in ln(k): 24.488181678935636 +""", +) + +entry( + index = 4384, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO", + kinetics = ArrheniusBM(A=(3.04604e+22,'m^3/(mol*s)'), n=-5.81736, w0=(352,'kJ/mol'), E0=(54.4038,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9007314192318664, var=1.2459310760246551, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO + Total Standard Deviation in ln(k): 4.500855278328037"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 4.500855278328037""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO +Total Standard Deviation in ln(k): 4.500855278328037 +""", +) + +entry( + index = 4385, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->N", + kinetics = ArrheniusBM(A=(3.6e+22,'m^3/(mol*s)'), n=-5.84, w0=(414.5,'kJ/mol'), E0=(54.8261,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4386, + label = "Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->N", + kinetics = ArrheniusBM(A=(0.0669,'m^3/(mol*s)'), n=2.41, w0=(289.5,'kJ/mol'), E0=(70.3805,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_3C-u1_N-1R!H->S_N-2R!H->S_N-Sp-2CNO=1CCNNO_N-1CN->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4387, + label = "Root_N-3R-inRing_3R->C_N-3C-u1", + kinetics = ArrheniusBM(A=(1.6e+26,'m^3/(mol*s)'), n=-7.07, w0=(414.5,'kJ/mol'), E0=(87.165,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_3R->C_N-3C-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_N-3C-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_3R->C_N-3C-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4388, + label = "Root_N-3R-inRing_N-3R->C", + kinetics = ArrheniusBM(A=(2.18075e+08,'m^3/(mol*s)'), n=-0.990129, w0=(297.606,'kJ/mol'), E0=(23.5781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05768407177011316, var=24.87296733003861, Tref=1000.0, N=33, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C',), comment="""BM rule fitted to 33 training reactions at node Root_N-3R-inRing_N-3R->C + Total Standard Deviation in ln(k): 10.14311112225526"""), + rank = 11, + shortDesc = """BM rule fitted to 33 training reactions at node Root_N-3R-inRing_N-3R->C +Total Standard Deviation in ln(k): 10.14311112225526""", + longDesc = +""" +BM rule fitted to 33 training reactions at node Root_N-3R-inRing_N-3R->C +Total Standard Deviation in ln(k): 10.14311112225526 +""", +) + +entry( + index = 4389, + label = "Root_N-3R-inRing_N-3R->C_1R!H->N", + kinetics = ArrheniusBM(A=(9.99e+19,'m^3/(mol*s)'), n=-5.73, w0=(236.5,'kJ/mol'), E0=(25.8003,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_1R!H->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_1R!H->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_1R!H->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_1R!H->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4390, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N", + kinetics = ArrheniusBM(A=(7504.71,'m^3/(mol*s)'), n=0.582441, w0=(299.516,'kJ/mol'), E0=(-3.06307,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14720325956652877, var=11.301122987747322, Tref=1000.0, N=32, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N',), comment="""BM rule fitted to 32 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N + Total Standard Deviation in ln(k): 7.109203999447201"""), + rank = 11, + shortDesc = """BM rule fitted to 32 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N +Total Standard Deviation in ln(k): 7.109203999447201""", + longDesc = +""" +BM rule fitted to 32 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N +Total Standard Deviation in ln(k): 7.109203999447201 +""", +) + +entry( + index = 4391, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->O", + kinetics = ArrheniusBM(A=(4.08261e+20,'m^3/(mol*s)'), n=-5.07836, w0=(384,'kJ/mol'), E0=(74.9893,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_2R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4392, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O", + kinetics = ArrheniusBM(A=(7425.43,'m^3/(mol*s)'), n=0.584001, w0=(296.79,'kJ/mol'), E0=(-3.08025,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14675781865575177, var=11.272077905897408, Tref=1000.0, N=31, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O',), comment="""BM rule fitted to 31 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O + Total Standard Deviation in ln(k): 7.099418812590828"""), + rank = 11, + shortDesc = """BM rule fitted to 31 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O +Total Standard Deviation in ln(k): 7.099418812590828""", + longDesc = +""" +BM rule fitted to 31 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O +Total Standard Deviation in ln(k): 7.099418812590828 +""", +) + +entry( + index = 4393, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl", + kinetics = ArrheniusBM(A=(2.20264e+11,'m^3/(mol*s)'), n=-0.95162, w0=(289.857,'kJ/mol'), E0=(47.425,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.25174063680087083, var=7.661942923104572, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl + Total Standard Deviation in ln(k): 6.181663922143319"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl +Total Standard Deviation in ln(k): 6.181663922143319""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl +Total Standard Deviation in ln(k): 6.181663922143319 +""", +) + +entry( + index = 4394, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS", + kinetics = ArrheniusBM(A=(8.1631e+10,'m^3/(mol*s)'), n=-0.882016, w0=(291.5,'kJ/mol'), E0=(46.7134,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2531810212157075, var=7.254147013502192, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS + Total Standard Deviation in ln(k): 6.035591200181115"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS +Total Standard Deviation in ln(k): 6.035591200181115""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS +Total Standard Deviation in ln(k): 6.035591200181115 +""", +) + +entry( + index = 4395, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R", + kinetics = ArrheniusBM(A=(5.00798e+06,'m^3/(mol*s)'), n=0.280726, w0=(291.5,'kJ/mol'), E0=(14.6057,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08391665138603259, var=8.588273944358733, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R + Total Standard Deviation in ln(k): 6.085873764240591"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R +Total Standard Deviation in ln(k): 6.085873764240591""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R +Total Standard Deviation in ln(k): 6.085873764240591 +""", +) + +entry( + index = 4396, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R", + kinetics = ArrheniusBM(A=(3.39907e+13,'m^3/(mol*s)'), n=-1.75194, w0=(291.5,'kJ/mol'), E0=(2.915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.27506461491571765, var=2.9039814399494936, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R + Total Standard Deviation in ln(k): 4.107400655826809"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R +Total Standard Deviation in ln(k): 4.107400655826809""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R +Total Standard Deviation in ln(k): 4.107400655826809 +""", +) + +entry( + index = 4397, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R_Ext-1CS-R", + kinetics = ArrheniusBM(A=(1.29949e+12,'m^3/(mol*s)'), n=-1.19652, w0=(291.5,'kJ/mol'), E0=(1.54569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R_Ext-1CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R_Ext-1CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R_Ext-1CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-2CNS-R_Ext-1CS-R_Ext-1CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4398, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-1CS-R", + kinetics = ArrheniusBM(A=(3024.48,'m^3/(mol*s)'), n=1.225, w0=(291.5,'kJ/mol'), E0=(46.4414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-1CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-1CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-1CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_Sp-2CNS=1CCNSS_Ext-1CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4399, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_N-Sp-2CNS=1CCNSS", + kinetics = ArrheniusBM(A=(2.86648e+06,'m^3/(mol*s)'), n=0.771713, w0=(280,'kJ/mol'), E0=(14.2768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_N-Sp-2CNS=1CCNSS',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_N-Sp-2CNS=1CCNSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_N-Sp-2CNS=1CCNSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_3BrClFNOS->Cl_N-Sp-2CNS=1CCNSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4400, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl", + kinetics = ArrheniusBM(A=(7433.9,'m^3/(mol*s)'), n=0.58269, w0=(298.812,'kJ/mol'), E0=(-3.08069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14416146969869306, var=11.246109675446062, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl',), comment="""BM rule fitted to 24 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl + Total Standard Deviation in ln(k): 7.085137895630165"""), + rank = 11, + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl +Total Standard Deviation in ln(k): 7.085137895630165""", + longDesc = +""" +BM rule fitted to 24 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl +Total Standard Deviation in ln(k): 7.085137895630165 +""", +) + +entry( + index = 4401, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_2CNS->N", + kinetics = ArrheniusBM(A=(2.8e+24,'m^3/(mol*s)'), n=-6.37, w0=(315,'kJ/mol'), E0=(64.4777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_2CNS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_2CNS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_2CNS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_2CNS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4402, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N", + kinetics = ArrheniusBM(A=(3089.45,'m^3/(mol*s)'), n=0.984177, w0=(298.109,'kJ/mol'), E0=(22.4723,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40312313477678213, var=3.7183389629351224, Tref=1000.0, N=23, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N',), comment="""BM rule fitted to 23 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N + Total Standard Deviation in ln(k): 4.878601845945094"""), + rank = 11, + shortDesc = """BM rule fitted to 23 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N +Total Standard Deviation in ln(k): 4.878601845945094""", + longDesc = +""" +BM rule fitted to 23 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N +Total Standard Deviation in ln(k): 4.878601845945094 +""", +) + +entry( + index = 4403, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_3BrFNOS->N", + kinetics = ArrheniusBM(A=(0.000614,'m^3/(mol*s)'), n=2.756, w0=(280.5,'kJ/mol'), E0=(34.681,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_3BrFNOS->N',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_3BrFNOS->N + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_3BrFNOS->N +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_3BrFNOS->N +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4404, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N", + kinetics = ArrheniusBM(A=(4463.46,'m^3/(mol*s)'), n=0.940053, w0=(298.909,'kJ/mol'), E0=(22.8106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4307459354536004, var=3.617769002732748, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N',), comment="""BM rule fitted to 22 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N + Total Standard Deviation in ln(k): 4.895369293559443"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N +Total Standard Deviation in ln(k): 4.895369293559443""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N +Total Standard Deviation in ln(k): 4.895369293559443 +""", +) + +entry( + index = 4405, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_3BrFOS->F", + kinetics = ArrheniusBM(A=(1.575e+07,'m^3/(mol*s)'), n=3.11585e-09, w0=(370.5,'kJ/mol'), E0=(139.156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_3BrFOS->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_3BrFOS->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_3BrFOS->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_3BrFOS->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4406, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F", + kinetics = ArrheniusBM(A=(4553.48,'m^3/(mol*s)'), n=0.937541, w0=(295.5,'kJ/mol'), E0=(22.8352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.4007022876139938, var=3.504609123104311, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F',), comment="""BM rule fitted to 21 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F + Total Standard Deviation in ln(k): 4.759774273101968"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F +Total Standard Deviation in ln(k): 4.759774273101968""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F +Total Standard Deviation in ln(k): 4.759774273101968 +""", +) + +entry( + index = 4407, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R", + kinetics = ArrheniusBM(A=(565.393,'m^3/(mol*s)'), n=1.28408, w0=(300.188,'kJ/mol'), E0=(2.21987,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06277471317878429, var=1.0052381843076323, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R + Total Standard Deviation in ln(k): 2.1677042153684125"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R +Total Standard Deviation in ln(k): 2.1677042153684125""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R +Total Standard Deviation in ln(k): 2.1677042153684125 +""", +) + +entry( + index = 4408, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1", + kinetics = ArrheniusBM(A=(731.158,'m^3/(mol*s)'), n=1.24471, w0=(297.917,'kJ/mol'), E0=(1.01606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07478186748000501, var=1.1013631782594904, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1',), comment="""BM rule fitted to 6 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1 + Total Standard Deviation in ln(k): 2.29178044008149"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1 +Total Standard Deviation in ln(k): 2.29178044008149""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1 +Total Standard Deviation in ln(k): 2.29178044008149 +""", +) + +entry( + index = 4409, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Ext-1CS-R", + kinetics = ArrheniusBM(A=(22681.4,'m^3/(mol*s)'), n=0.886243, w0=(264,'kJ/mol'), E0=(2.64,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Ext-1CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Ext-1CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Ext-1CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Ext-1CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4410, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS", + kinetics = ArrheniusBM(A=(722.134,'m^3/(mol*s)'), n=1.18329, w0=(307,'kJ/mol'), E0=(20.4724,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.027388853818327362, var=0.13796503985663772, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS',), comment="""BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS + Total Standard Deviation in ln(k): 0.8134479053206154"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 0.8134479053206154""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 0.8134479053206154 +""", +) + +entry( + index = 4411, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS", + kinetics = ArrheniusBM(A=(5083.6,'m^3/(mol*s)'), n=0.875532, w0=(307,'kJ/mol'), E0=(19.9352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11033260148547282, var=0.1327104806870214, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS',), comment="""BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS + Total Standard Deviation in ln(k): 1.007531548701793"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS +Total Standard Deviation in ln(k): 1.007531548701793""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS +Total Standard Deviation in ln(k): 1.007531548701793 +""", +) + +entry( + index = 4412, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS_Ext-2CS-R", + kinetics = ArrheniusBM(A=(2.28582,'m^3/(mol*s)'), n=1.99441, w0=(307,'kJ/mol'), E0=(27.662,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS_Ext-2CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS_Ext-2CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_Sp-4R!H-2CS_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4413, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_N-Sp-4R!H-2CS", + kinetics = ArrheniusBM(A=(267.969,'m^3/(mol*s)'), n=1.33963, w0=(307,'kJ/mol'), E0=(22.084,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_N-Sp-4R!H-2CS',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_N-Sp-4R!H-2CS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_N-Sp-4R!H-2CS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_Sp-2CS=1CCSS_N-Sp-4R!H-2CS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4414, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_N-Sp-2CS=1CCSS", + kinetics = ArrheniusBM(A=(396.43,'m^3/(mol*s)'), n=1.40317, w0=(295.5,'kJ/mol'), E0=(30.3853,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_N-Sp-2CS=1CCSS',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_N-Sp-2CS=1CCSS + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_N-Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_3BrOS-u1_N-Sp-2CS=1CCSS +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4415, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1", + kinetics = ArrheniusBM(A=(5.97583,'m^3/(mol*s)'), n=1.98069, w0=(307,'kJ/mol'), E0=(24.7034,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0665490741671073, var=3.1459699634659253, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1 + Total Standard Deviation in ln(k): 6.235546568996352"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1 +Total Standard Deviation in ln(k): 6.235546568996352""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1 +Total Standard Deviation in ln(k): 6.235546568996352 +""", +) + +entry( + index = 4416, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1_Ext-2CS-R", + kinetics = ArrheniusBM(A=(161.464,'m^3/(mol*s)'), n=1.57399, w0=(307,'kJ/mol'), E0=(39.4647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1_Ext-2CS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1_Ext-2CS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_Ext-2CS-R_N-3BrOS-u1_Ext-2CS-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4417, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C", + kinetics = ArrheniusBM(A=(9.34817,'m^3/(mol*s)'), n=1.6951, w0=(295.042,'kJ/mol'), E0=(19.0171,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.18662790735996646, var=0.8813576549873867, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C',), comment="""BM rule fitted to 12 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C + Total Standard Deviation in ln(k): 2.35097267279512"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C +Total Standard Deviation in ln(k): 2.35097267279512""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C +Total Standard Deviation in ln(k): 2.35097267279512 +""", +) + +entry( + index = 4418, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C", + kinetics = ArrheniusBM(A=(274.947,'m^3/(mol*s)'), n=1.27364, w0=(296.75,'kJ/mol'), E0=(23.16,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0939399204028863, var=1.583446047244653, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C',), comment="""BM rule fitted to 10 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C + Total Standard Deviation in ln(k): 5.271252204725783"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C +Total Standard Deviation in ln(k): 5.271252204725783""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C +Total Standard Deviation in ln(k): 5.271252204725783 +""", +) + +entry( + index = 4419, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_3BrOS->S", + kinetics = ArrheniusBM(A=(0.0568879,'m^3/(mol*s)'), n=2.31068, w0=(264,'kJ/mol'), E0=(4.82101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_3BrOS->S',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_3BrOS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_3BrOS->S +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_3BrOS->S +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4420, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S", + kinetics = ArrheniusBM(A=(14.037,'m^3/(mol*s)'), n=1.71517, w0=(300.389,'kJ/mol'), E0=(7.24759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07250463795583736, var=0.9269842674849911, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S',), comment="""BM rule fitted to 9 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S + Total Standard Deviation in ln(k): 2.1123318347435434"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S +Total Standard Deviation in ln(k): 2.1123318347435434""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S +Total Standard Deviation in ln(k): 2.1123318347435434 +""", +) + +entry( + index = 4421, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C", + kinetics = ArrheniusBM(A=(11.627,'m^3/(mol*s)'), n=1.76094, w0=(301.786,'kJ/mol'), E0=(8.92866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7962033628244635, var=3.785845958916858, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C',), comment="""BM rule fitted to 7 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C + Total Standard Deviation in ln(k): 5.901174214758584"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C +Total Standard Deviation in ln(k): 5.901174214758584""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C +Total Standard Deviation in ln(k): 5.901174214758584 +""", +) + +entry( + index = 4422, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(10.0596,'m^3/(mol*s)'), n=1.78132, w0=(299.7,'kJ/mol'), E0=(8.89866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.9261259964147351, var=4.897630090116633, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R + Total Standard Deviation in ln(k): 6.763546723925414"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.763546723925414""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R +Total Standard Deviation in ln(k): 6.763546723925414 +""", +) + +entry( + index = 4423, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(0.0216514,'m^3/(mol*s)'), n=2.46661, w0=(307,'kJ/mol'), E0=(33.285,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.057965159541254446, var=2.264930384206914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.1627043787169153"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.1627043787169153""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.1627043787169153 +""", +) + +entry( + index = 4424, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_3BrO-u1", + kinetics = ArrheniusBM(A=(0.142447,'m^3/(mol*s)'), n=2.13872, w0=(307,'kJ/mol'), E0=(40.2329,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_3BrO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_3BrO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4425, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_N-3BrO-u1", + kinetics = ArrheniusBM(A=(21.2219,'m^3/(mol*s)'), n=1.70304, w0=(307,'kJ/mol'), E0=(58.1816,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_N-3BrO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_N-3BrO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_Ext-1C-R_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4426, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1", + kinetics = ArrheniusBM(A=(52.9403,'m^3/(mol*s)'), n=1.5962, w0=(288.75,'kJ/mol'), E0=(12.6613,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.9170703304116087, var=17.364407319920907, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1 + Total Standard Deviation in ln(k): 10.658052557971047"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1 +Total Standard Deviation in ln(k): 10.658052557971047""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1 +Total Standard Deviation in ln(k): 10.658052557971047 +""", +) + +entry( + index = 4427, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_3BrO->Br", + kinetics = ArrheniusBM(A=(8e+06,'m^3/(mol*s)'), n=4.02118e-08, w0=(270.5,'kJ/mol'), E0=(19.6092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_3BrO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_3BrO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_3BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_3BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4428, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_N-3BrO->Br", + kinetics = ArrheniusBM(A=(49.3775,'m^3/(mol*s)'), n=1.60616, w0=(307,'kJ/mol'), E0=(50.4915,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_N-3BrO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_N-3BrO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_N-3BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_3BrO-u1_N-3BrO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4429, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_N-3BrO-u1", + kinetics = ArrheniusBM(A=(9955.7,'m^3/(mol*s)'), n=0.958688, w0=(307,'kJ/mol'), E0=(19.3014,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_N-3BrO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_N-3BrO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_Ext-1C-R_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4430, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_3BrO-u1", + kinetics = ArrheniusBM(A=(2.71e+06,'m^3/(mol*s)'), n=6.94845e-09, w0=(307,'kJ/mol'), E0=(27.2772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_3BrO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_3BrO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4431, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_N-3BrO-u1", + kinetics = ArrheniusBM(A=(682.952,'m^3/(mol*s)'), n=1.20934, w0=(307,'kJ/mol'), E0=(22.2201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_N-3BrO-u1',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_N-3BrO-u1 + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_Sp-2C=1C_N-3BrO-u1 +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4432, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C", + kinetics = ArrheniusBM(A=(15.8679,'m^3/(mol*s)'), n=1.67271, w0=(295.5,'kJ/mol'), E0=(36.2282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.1408678102344076, var=2.7751532840573914, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C + Total Standard Deviation in ln(k): 6.206148367361496"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C +Total Standard Deviation in ln(k): 6.206148367361496""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C +Total Standard Deviation in ln(k): 6.206148367361496 +""", +) + +entry( + index = 4433, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(16.4631,'m^3/(mol*s)'), n=1.67015, w0=(295.5,'kJ/mol'), E0=(34.4584,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_2CS->C_N-3BrOS->S_N-Sp-2C=1C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4434, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C", + kinetics = ArrheniusBM(A=(3.57725,'m^3/(mol*s)'), n=1.81553, w0=(286.5,'kJ/mol'), E0=(14.1869,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=3.2753372083306904, var=20.73557139899493, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C + Total Standard Deviation in ln(k): 17.35831781567743"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C +Total Standard Deviation in ln(k): 17.35831781567743""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C +Total Standard Deviation in ln(k): 17.35831781567743 +""", +) + +entry( + index = 4435, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.40922e+09,'m^3/(mol*s)'), n=-0.661846, w0=(286.5,'kJ/mol'), E0=(12.6074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_1CS->C_N-2CS->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4436, + label = "Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_N-1CS->C", + kinetics = ArrheniusBM(A=(1.12122e+08,'m^3/(mol*s)'), n=-0.319907, w0=(263.5,'kJ/mol'), E0=(2.635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_N-1CS->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_N-1CS->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-3R-inRing_N-3R->C_N-1R!H->N_N-2R!H->O_N-3BrClFNOS->Cl_N-2CNS->N_N-3BrFNOS->N_N-3BrFOS->F_N-1CS->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", ) diff --git a/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt b/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt index 32129370e3..10d1c817b2 100644 --- a/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt +++ b/input/kinetics/families/R_Addition_MultipleBond/training/dictionary.txt @@ -1,69 +1,37 @@ -C2H2O-2 -1 O u0 p2 c0 {3,D} -2 *1 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *2 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} - -C2H2O-3 -1 *2 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *1 C u0 p0 c0 {1,D} {2,D} +C2H2 +1 *1 C u0 p0 c0 {2,T} {3,S} +2 *2 C u0 p0 c0 {1,T} {4,S} +3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -C7H10 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 *2 C u0 p0 c0 {1,S} {3,S} {6,D} -5 C u0 p0 c0 {2,S} {6,S} {7,D} -6 *1 C u0 p0 c0 {4,D} {5,S} {15,S} -7 C u0 p0 c0 {5,D} {16,S} {17,S} +C4H9 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {7,S} - -C7H11 -multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 *1 C u0 p0 c0 {1,S} {6,S} {7,D} -5 C u0 p0 c0 {3,D} {17,S} {18,S} -6 *2 C u1 p0 c0 {4,S} {13,S} {14,S} -7 C u0 p0 c0 {4,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {5,S} -C7H13 +C6H11 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 *3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -5 C u0 p0 c0 {3,S} {7,D} {16,S} -6 *2 C u1 p0 c0 {1,S} {17,S} {18,S} -7 C u0 p0 c0 {5,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +5 *1 C u0 p0 c0 {1,S} {6,D} {16,S} +6 *2 C u1 p0 c0 {5,D} {17,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} @@ -71,109 +39,111 @@ multiplicity 2 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} -C10H9-33 +C2H3O3 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {7,B} {13,S} -3 C u0 p0 c0 {1,B} {5,B} {14,S} -4 C u0 p0 c0 {1,S} {8,D} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {15,S} -6 C u0 p0 c0 {5,B} {7,B} {12,S} -7 C u0 p0 c0 {2,B} {6,B} {11,S} -8 *3 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} -10 *2 C u1 p0 c0 {9,D} {19,S} -11 H u0 p0 c0 {7,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +1 *3 O u0 p2 c0 {2,S} {4,S} +2 O u0 p2 c0 {1,S} {8,S} +3 O u0 p2 c0 {4,D} +4 *1 C u0 p0 c0 {1,S} {3,D} {5,S} +5 *2 C u1 p0 c0 {4,S} {6,S} {7,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {2,S} -C10H9-32 +C2H2O +1 O u0 p2 c0 {3,D} +2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +HO2 multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 *1 C u0 p0 c0 {2,B} {4,S} {7,B} -4 C u0 p0 c0 {3,S} {5,S} {10,D} -5 C u1 p0 c0 {1,S} {4,S} {13,S} -6 C u0 p0 c0 {2,B} {9,B} {16,S} -7 C u0 p0 c0 {3,B} {8,B} {14,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {17,S} -10 C u0 p0 c0 {4,D} {18,S} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +1 O u0 p2 c0 {2,S} {3,S} +2 *3 O u1 p2 c0 {1,S} +3 H u0 p0 c0 {1,S} -C10H9-31 +CH2O +1 *2 O u0 p2 c0 {2,D} +2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} + +C3H5O multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {4,S} {7,B} -4 C u0 p0 c0 {3,S} {5,S} {10,D} -5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} -6 C u0 p0 c0 {2,B} {9,B} {16,S} -7 C u0 p0 c0 {3,B} {8,B} {14,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {17,S} -10 C u0 p0 c0 {4,D} {18,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +1 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 C u0 p0 c0 {1,D} {2,S} {4,S} +4 *3 C u1 p0 c0 {3,S} {8,S} {9,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C10H9-30 +C4H7O2 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -2 *2 C u0 p0 c0 {1,S} {4,B} {6,B} -3 C u0 p0 c0 {1,S} {5,S} {10,D} -4 C u0 p0 c0 {2,B} {5,S} {7,B} -5 C u1 p0 c0 {3,S} {4,S} {13,S} -6 C u0 p0 c0 {2,B} {8,B} {14,S} -7 C u0 p0 c0 {4,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {16,S} -9 C u0 p0 c0 {7,B} {8,B} {17,S} -10 C u0 p0 c0 {3,D} {18,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} +1 *2 O u1 p2 c0 {4,S} +2 O u0 p2 c0 {6,D} +3 *3 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} +4 *1 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} +5 C u0 p0 c0 {6,S} {11,S} {12,S} {13,S} +6 C u0 p0 c0 {2,D} {3,S} {5,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} -C4H5-10 +allyl multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,D} {8,S} {9,S} -3 *2 C u1 p0 c0 {1,S} {4,D} -4 C u0 p0 c0 {2,D} {3,D} +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 *3 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} + +C2H4 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} + +pent1en5yl +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 *2 C u1 p0 c0 {2,S} {11,S} {12,S} +5 C u0 p0 c0 {3,D} {13,S} {14,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {5,S} + +propene_1 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} +4 H u0 p0 c0 {1,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} hex1en5yl multiplicity 2 @@ -195,30 +165,6 @@ multiplicity 2 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {6,S} -C10H11-18 -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {5,B} {7,B} -5 C u0 p0 c0 {2,S} {4,B} {8,B} -6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} -7 C u0 p0 c0 {4,B} {10,B} {19,S} -8 C u0 p0 c0 {5,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {20,S} -10 C u0 p0 c0 {7,B} {9,B} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} - propene_2 1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} 2 *1 C u0 p0 c0 {1,S} {3,D} {7,S} @@ -230,130 +176,145 @@ propene_2 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} -propene_1 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *2 C u0 p0 c0 {1,S} {3,D} {7,S} -3 *1 C u0 p0 c0 {2,D} {8,S} {9,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C2H3O-3 +methylpentenyl multiplicity 2 -1 *2 O u1 p2 c0 {3,S} -2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *1 C u0 p0 c0 {1,S} {2,D} {6,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 *3 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {6,D} {13,S} +5 *2 C u1 p0 c0 {1,S} {14,S} {15,S} +6 C u0 p0 c0 {4,D} {16,S} {17,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {6,S} -C2H3O-2 -multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *2 C u1 p0 c0 {3,S} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} -4 *3 H u0 p0 c0 {3,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +butene1_1 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {10,S} +4 *1 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} -C10H8-15 -1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {8,D} {9,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {1,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 *2 C u0 p0 c0 {2,D} {16,S} {17,S} -9 C u0 p0 c0 {2,S} {10,T} -10 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} +hept1en5yl +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +4 C u0 p0 c0 {3,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {3,S} {17,S} +6 C u0 p0 c0 {2,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} -C5H6-2 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} +butene1_2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {10,S} +4 *2 C u0 p0 c0 {3,D} {11,S} {12,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} -C10H11-13 +C7H13 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} -4 *2 C u1 p0 c0 {1,S} {7,S} {8,S} -5 C u0 p0 c0 {2,S} {7,D} {16,S} -6 C u0 p0 c0 {3,S} {9,D} {17,S} -7 C u0 p0 c0 {4,S} {5,D} {18,S} -8 C u0 p0 c0 {4,S} {10,D} {19,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {8,D} {9,S} {21,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 *3 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +5 C u0 p0 c0 {3,S} {7,D} {16,S} +6 *2 C u1 p0 c0 {1,S} {17,S} {18,S} +7 C u0 p0 c0 {5,D} {19,S} {20,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} -C5H5-2 -multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,T} -4 *2 C u1 p0 c0 {2,D} {9,S} -5 C u0 p0 c0 {3,T} {10,S} +butene2 +1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} +4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} +5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} -C7H8-3 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {5,D} {9,S} -3 C u0 p0 c0 {1,S} {6,D} {10,S} -4 C u0 p0 c0 {1,S} {7,D} {11,S} -5 *2 C u0 p0 c0 {2,D} {6,S} {12,S} -6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 C u0 p0 c0 {4,D} {14,S} {15,S} +C7H13_2 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {4,S} {17,S} +6 C u0 p0 c0 {2,S} {7,D} {18,S} +7 C u0 p0 c0 {6,D} {19,S} {20,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {7,S} -C7H8-2 +C7H8 1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} 2 C u0 p0 c0 {1,S} {5,D} {9,S} 3 C u0 p0 c0 {1,S} {6,D} {10,S} -4 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +4 *2 C u0 p0 c0 {1,S} {7,D} {11,S} 5 C u0 p0 c0 {2,D} {6,S} {12,S} 6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 *2 C u0 p0 c0 {4,D} {14,S} {15,S} +7 *1 C u0 p0 c0 {4,D} {14,S} {15,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} @@ -363,40 +324,39 @@ C7H8-2 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C10H11-12 +H multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {7,D} {8,S} -5 *2 C u1 p0 c0 {3,S} {7,S} {17,S} -6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,D} {5,S} {18,S} -8 C u0 p0 c0 {4,S} {10,D} {19,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {8,D} {9,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 *3 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +1 *3 H u1 p0 c0 -C7H8-7 -1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {5,S} {6,S} {7,D} -3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {1,S} {6,D} {11,S} -5 *2 C u0 p0 c0 {2,S} {3,D} {12,S} -6 C u0 p0 c0 {2,S} {4,D} {13,S} -7 C u0 p0 c0 {2,D} {14,S} {15,S} +C7H9 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} +2 *1 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {12,S} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {14,S} +6 C u0 p0 c0 {4,D} {7,S} {15,S} +7 C u0 p0 c0 {5,D} {6,S} {16,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} + +C7H8-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,D} {9,S} +3 C u0 p0 c0 {1,S} {6,D} {10,S} +4 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +5 C u0 p0 c0 {2,D} {6,S} {12,S} +6 C u0 p0 c0 {3,D} {5,S} {13,S} +7 *2 C u0 p0 c0 {4,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} @@ -404,39 +364,60 @@ C7H8-7 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C7H8-6 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {7,D} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} +C7H9-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} 5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {12,S} -7 *2 C u0 p0 c0 {2,D} {14,S} {15,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H8-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {5,D} {9,S} +3 C u0 p0 c0 {1,S} {6,D} {10,S} +4 C u0 p0 c0 {1,S} {7,D} {11,S} +5 *2 C u0 p0 c0 {2,D} {6,S} {12,S} +6 C u0 p0 c0 {3,D} {5,S} {13,S} +7 C u0 p0 c0 {4,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C7H8-5 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 *1 C u0 p0 c0 {1,S} {3,B} {4,B} -3 *2 C u0 p0 c0 {2,B} {6,B} {14,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {6,B} {7,B} {11,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 C u0 p0 c0 {4,B} {5,B} {13,S} +C7H9-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,D} {11,S} +4 *2 C u1 p0 c0 {2,S} {6,S} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {12,S} +6 C u0 p0 c0 {3,D} {4,S} {14,S} +7 C u0 p0 c0 {5,D} {15,S} {16,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} C7H8-4 1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} @@ -455,38 +436,233 @@ C7H8-4 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -C10H11-15 +C7H9-4 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} -2 C u0 p0 c0 {4,B} {5,B} {6,S} -3 *2 C u1 p0 c0 {1,S} {7,S} {14,S} -4 C u0 p0 c0 {2,B} {8,B} {15,S} -5 C u0 p0 c0 {2,B} {10,B} {16,S} -6 C u0 p0 c0 {2,S} {7,D} {17,S} -7 C u0 p0 c0 {3,S} {6,D} {21,S} -8 C u0 p0 c0 {4,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {20,S} -10 C u0 p0 c0 {5,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 *3 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {2,S} {4,D} {14,S} +6 C u0 p0 c0 {1,S} {7,D} {13,S} +7 C u0 p0 c0 {6,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H9-5 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C5H5 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {6,S} +2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} + +C7H9-6 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {4,S} {5,S} +4 C u0 p0 c0 {3,S} {6,D} {14,S} +5 C u0 p0 c0 {3,S} {7,D} {16,S} +6 C u0 p0 c0 {4,D} {7,S} {13,S} +7 C u0 p0 c0 {5,D} {6,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} + +C6H6 +1 *2 C u0 p0 c0 {2,S} {3,S} {6,D} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,D} {5,S} {7,S} +5 C u0 p0 c0 {3,D} {4,S} {9,S} +6 *1 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} + +CH3 +multiplicity 2 +1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C7H9-7 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} +4 C u0 p0 c0 {1,S} {5,D} {13,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 *3 C u0 p0 c0 {1,S} {7,D} {14,S} +7 C u0 p0 c0 {6,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C5H6 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 *1 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C2H3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *3 C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C7H9-8 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {1,S} {6,S} {13,S} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {4,D} {7,S} {14,S} +6 C u0 p0 c0 {3,S} {7,D} {15,S} +7 C u0 p0 c0 {5,S} {6,D} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} + +C6H6-2 +1 *1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 *2 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 C u0 p0 c0 {4,B} {5,B} {12,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} + +C7H9-9 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {1,S} {5,S} {12,S} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,S} {7,D} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u0 p0 c0 {5,D} {6,S} {14,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} + +C7H8-5 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 *1 C u0 p0 c0 {1,S} {3,B} {4,B} +3 *2 C u0 p0 c0 {2,B} {6,B} {14,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {6,B} {7,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {4,B} {5,B} {13,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {7,S} -C7H8-9 +C7H9-10 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {6,D} {12,S} +4 C u0 p0 c0 {2,S} {5,D} {11,S} +5 C u0 p0 c0 {4,D} {6,S} {14,S} +6 C u0 p0 c0 {3,D} {5,S} {13,S} +7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H8-6 1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {7,D} -3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {7,D} +3 C u0 p0 c0 {1,S} {5,D} {10,S} 4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 *2 C u0 p0 c0 {3,D} {6,S} {13,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} 6 C u0 p0 c0 {4,D} {5,S} {12,S} -7 C u0 p0 c0 {2,D} {14,S} {15,S} +7 *2 C u0 p0 c0 {2,D} {14,S} {15,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {3,S} @@ -496,6 +672,61 @@ C7H8-9 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} +C7H9-11 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {6,S} {7,D} +4 *2 C u1 p0 c0 {2,S} {3,S} {13,S} +5 C u0 p0 c0 {1,S} {6,D} {12,S} +6 C u0 p0 c0 {3,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} + +C7H8-7 +1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {5,S} {6,S} {7,D} +3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {1,S} {6,D} {11,S} +5 *2 C u0 p0 c0 {2,S} {3,D} {12,S} +6 C u0 p0 c0 {2,S} {4,D} {13,S} +7 C u0 p0 c0 {2,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} + +C7H9-12 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} +3 *2 C u1 p0 c0 {2,S} {6,S} {13,S} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {4,D} {7,S} {16,S} +6 C u0 p0 c0 {3,S} {7,D} {14,S} +7 C u0 p0 c0 {5,S} {6,D} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} + C7H8-8 1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} 2 *1 C u0 p0 c0 {1,S} {4,D} {10,S} @@ -513,228 +744,172 @@ C7H8-8 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {5,S} -C6H7-4 +C7H9-13 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 C u0 p0 c0 {2,S} {5,D} {10,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 *2 C u1 p0 c0 {1,S} {6,S} {12,S} 4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 C u0 p0 c0 {3,D} {6,S} {12,S} -6 C u0 p0 c0 {4,D} {5,S} {13,S} -7 H u0 p0 c0 {1,S} +5 *3 C u0 p0 c0 {1,S} {7,D} {13,S} +6 C u0 p0 c0 {3,S} {4,D} {14,S} +7 C u0 p0 c0 {5,D} {15,S} {16,S} 8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C7H10-2 -1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} -4 *2 C u0 p0 c0 {1,S} {2,S} {6,D} -5 C u0 p0 c0 {1,S} {3,S} {7,D} -6 *1 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u0 p0 c0 {5,D} {6,S} {17,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} +C5H6-2 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} + +C6H6-3 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,D} +2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 *2 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} + +C7H9-14 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C10H11-17 +C7H9-15 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {5,B} {8,B} -5 C u0 p0 c0 {2,S} {4,B} {7,B} -6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} -7 C u0 p0 c0 {5,B} {9,B} {18,S} -8 C u0 p0 c0 {4,B} {10,B} {19,S} -9 C u0 p0 c0 {7,B} {10,B} {20,S} -10 C u0 p0 c0 {8,B} {9,B} {21,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} - -C10H11-16 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {4,S} {7,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 *2 C u1 p0 c0 {1,S} {2,S} {5,S} -5 C u0 p0 c0 {4,S} {8,S} {9,D} -6 C u0 p0 c0 {1,S} {10,D} {18,S} -7 C u0 p0 c0 {2,S} {8,D} {17,S} -8 C u0 p0 c0 {5,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {10,S} {20,S} -10 C u0 p0 c0 {6,D} {9,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {7,D} +4 *2 C u1 p0 c0 {2,S} {6,S} {12,S} +5 C u0 p0 c0 {3,S} {6,D} {13,S} +6 C u0 p0 c0 {4,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C8H7-3 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {9,S} -3 C u0 p0 c0 {1,B} {5,B} {10,S} -4 C u0 p0 c0 {2,B} {6,B} {11,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {4,B} {5,B} {13,S} -7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -8 *2 C u1 p0 c0 {7,D} {15,S} -9 H u0 p0 c0 {2,S} +C7H8-9 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {7,D} +3 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 *2 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {12,S} +7 C u0 p0 c0 {2,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 *3 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} -C8H7-2 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {6,B} {11,S} -3 C u0 p0 c0 {1,B} {4,B} {12,S} -4 C u0 p0 c0 {3,B} {5,B} {13,S} -5 C u0 p0 c0 {4,B} {6,B} {10,S} -6 C u0 p0 c0 {2,B} {5,B} {9,S} -7 C u0 p0 c0 {1,S} {8,D} {14,S} -8 *3 C u1 p0 c0 {7,D} {15,S} -9 H u0 p0 c0 {6,S} +C6H6-4 +1 C u0 p0 c0 {2,S} {3,S} {6,D} +2 *1 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 *2 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} 10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} -hept1en5yl +C7H9-16 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {12,S} {13,S} -2 *3 C u0 p0 c0 {1,S} {6,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -4 C u0 p0 c0 {3,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {3,S} {17,S} -6 C u0 p0 c0 {2,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,S} {7,D} +4 *2 C u1 p0 c0 {1,S} {6,S} {12,S} +5 C u0 p0 c0 {3,S} {6,D} {13,S} +6 C u0 p0 c0 {4,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C8H8-2 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {10,S} -3 C u0 p0 c0 {1,B} {6,B} {11,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {9,S} -5 C u0 p0 c0 {2,B} {7,B} {12,S} -6 C u0 p0 c0 {3,B} {7,B} {13,S} -7 C u0 p0 c0 {5,B} {6,B} {14,S} -8 *2 C u0 p0 c0 {4,D} {15,S} {16,S} +C6H6-5 +1 C u0 p0 c0 {2,S} {3,S} {6,D} +2 *2 C u0 p0 c0 {1,S} {4,D} {7,S} +3 C u0 p0 c0 {1,S} {5,D} {8,S} +4 *1 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u0 p0 c0 {1,D} {11,S} {12,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {8,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {6,S} -C8H8-3 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 *2 C u0 p0 c0 {1,S} {4,D} {6,S} -4 *1 C u0 p0 c0 {2,S} {3,D} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {12,S} -6 C u0 p0 c0 {3,S} {8,D} {16,S} -7 C u0 p0 c0 {5,D} {8,S} {14,S} -8 C u0 p0 c0 {6,D} {7,S} {15,S} -9 H u0 p0 c0 {1,S} +C7H9-17 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {6,S} {7,D} +4 *2 C u1 p0 c0 {1,S} {3,S} {12,S} +5 C u0 p0 c0 {1,S} {6,D} {13,S} +6 C u0 p0 c0 {3,S} {5,D} {14,S} +7 C u0 p0 c0 {3,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {6,S} - -C12H19-1 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {13,S} -2 C u0 p0 c0 {1,S} {5,S} {22,S} {23,S} -3 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} -4 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} -5 C u0 p0 c0 {2,S} {4,S} {20,S} {21,S} -6 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} -7 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} -8 *2 C u0 p0 c0 {1,S} {10,D} {27,S} -9 C u0 p0 c0 {1,S} {11,D} {28,S} -10 C u0 p0 c0 {8,D} {12,S} {30,S} -11 C u0 p0 c0 {9,D} {12,S} {31,S} -12 C u1 p0 c0 {10,S} {11,S} {29,S} -13 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {2,S} -23 H u0 p0 c0 {2,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {7,S} -26 H u0 p0 c0 {7,S} -27 H u0 p0 c0 {8,S} -28 H u0 p0 c0 {9,S} -29 H u0 p0 c0 {12,S} -30 H u0 p0 c0 {10,S} -31 H u0 p0 c0 {11,S} - -allyl -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {4,S} -2 *3 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} C7H9-18 multiplicity 2 @@ -755,856 +930,678 @@ multiplicity 2 15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {7,S} -C7H9-19 +C7H8-10 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {7,D} +3 *2 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {12,S} +7 C u0 p0 c0 {2,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} + +C7H7 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,D} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} -3 C u0 p0 c0 {1,S} {7,D} {8,S} -4 *2 C u1 p0 c0 {2,S} {9,S} {10,S} -5 C u0 p0 c0 {2,D} {11,S} {12,S} -6 C u0 p0 c0 {1,D} {15,S} {16,S} -7 C u0 p0 c0 {3,D} {13,S} {14,S} -8 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} +2 C u0 p0 c0 {1,S} {4,D} {9,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,D} {5,S} {12,S} +5 C u0 p0 c0 {3,D} {4,S} {13,S} +6 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +7 *2 C u1 p0 c0 {6,D} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} + +C7H7-2 +multiplicity 2 +1 *2 C u1 p0 c0 {2,S} {3,S} {6,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 *1 C u0 p0 c0 {1,S} {7,D} {12,S} +7 C u0 p0 c0 {6,D} {13,S} {14,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 *3 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {7,S} + +C7H6 +1 *2 C u0 p0 c0 {2,S} {3,S} {7,D} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,D} {5,S} {9,S} +5 C u0 p0 c0 {3,D} {4,S} {10,S} +6 C u0 p0 c0 {7,D} {12,S} {13,S} +7 *1 C u0 p0 c0 {1,D} {6,D} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +C3H4 +1 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C6H9 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} +3 C u0 p0 c0 {1,S} {6,D} {9,S} +4 *2 C u1 p0 c0 {2,S} {10,S} {11,S} +5 C u0 p0 c0 {2,D} {12,S} {13,S} +6 C u0 p0 c0 {3,D} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} -C10H11 +C6H9-2 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {12,S} -3 C u0 p0 c0 {4,S} {8,S} {13,S} {14,S} -4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} -5 C u0 p0 c0 {1,S} {8,D} {17,S} -6 C u0 p0 c0 {2,S} {9,D} {18,S} -7 C u0 p0 c0 {2,S} {10,D} {19,S} -8 C u0 p0 c0 {3,S} {5,D} {16,S} -9 C u0 p0 c0 {6,D} {10,S} {20,S} -10 C u0 p0 c0 {7,D} {9,S} {21,S} -11 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 *2 C u1 p0 c0 {2,S} {3,S} {13,S} +6 C u0 p0 c0 {4,D} {14,S} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 *3 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C6H8 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {5,S} {6,D} +4 *2 C u0 p0 c0 {2,S} {5,D} {11,S} +5 *1 C u0 p0 c0 {3,S} {4,D} {12,S} +6 C u0 p0 c0 {3,D} {13,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} + +C4H7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 *3 C u1 p0 c0 {2,S} {10,S} {11,S} +4 C u0 p0 c0 {2,D} {8,S} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} + +C7H11 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 *1 C u0 p0 c0 {1,S} {6,S} {7,D} +5 C u0 p0 c0 {3,D} {17,S} {18,S} +6 *2 C u1 p0 c0 {4,S} {13,S} {14,S} +7 C u0 p0 c0 {4,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {5,S} -C10H10 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {6,D} {7,S} -4 C u0 p0 c0 {1,S} {9,D} {14,S} -5 C u0 p0 c0 {2,S} {8,D} {15,S} -6 *2 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {3,S} {10,D} {17,S} -8 C u0 p0 c0 {5,D} {6,S} {18,S} -9 C u0 p0 c0 {4,D} {10,S} {19,S} -10 C u0 p0 c0 {7,D} {9,S} {20,S} +C7H11-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} +3 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +6 C u0 p0 c0 {2,S} {3,S} {7,D} +7 C u0 p0 c0 {6,D} {17,S} {18,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 *3 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {7,S} -C10H10-4 -1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -3 *1 C u0 p0 c0 {1,S} {4,S} {7,D} -4 C u0 p0 c0 {2,S} {3,S} {8,D} -5 C u0 p0 c0 {1,S} {9,D} {15,S} -6 C u0 p0 c0 {2,S} {10,D} {16,S} -7 *2 C u0 p0 c0 {3,D} {10,S} {17,S} -8 C u0 p0 c0 {4,D} {9,S} {18,S} -9 C u0 p0 c0 {5,D} {8,S} {19,S} -10 C u0 p0 c0 {6,D} {7,S} {20,S} +C7H10 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 *2 C u0 p0 c0 {1,S} {3,S} {6,D} +5 C u0 p0 c0 {2,S} {6,S} {7,D} +6 *1 C u0 p0 c0 {4,D} {5,S} {15,S} +7 C u0 p0 c0 {5,D} {16,S} {17,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -C10H10-5 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} -4 C u0 p0 c0 {1,S} {8,D} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {15,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 *2 C u0 p0 c0 {3,D} {9,S} {17,S} -8 C u0 p0 c0 {4,D} {10,S} {18,S} -9 C u0 p0 c0 {7,S} {10,D} {19,S} -10 C u0 p0 c0 {8,S} {9,D} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} - -C10H10-6 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,S} {7,D} -4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {15,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 C u0 p0 c0 {3,D} {9,S} {17,S} -8 *2 C u0 p0 c0 {4,D} {10,S} {18,S} -9 C u0 p0 c0 {7,S} {10,D} {19,S} -10 C u0 p0 c0 {8,S} {9,D} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} - -C10H10-7 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {6,D} {7,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -5 C u0 p0 c0 {2,S} {9,D} {15,S} -6 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {3,S} {10,D} {17,S} -8 *2 C u0 p0 c0 {4,D} {6,S} {18,S} -9 C u0 p0 c0 {5,D} {10,S} {19,S} -10 C u0 p0 c0 {7,D} {9,S} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +C3H4-2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *2 C u0 p0 c0 {1,S} {3,T} +3 *1 C u0 p0 c0 {2,T} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} -C10H10-2 -1 *1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 *2 C u0 p0 c0 {1,B} {5,B} {11,S} -3 C u0 p0 c0 {1,B} {7,B} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {16,S} -7 C u0 p0 c0 {3,B} {6,B} {15,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {8,S} {10,D} {18,S} -10 C u0 p0 c0 {9,D} {19,S} {20,S} +C6H9-3 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {6,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,D} {12,S} +4 *1 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,D} {14,S} {15,S} +6 *2 C u1 p0 c0 {2,S} {4,D} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {5,S} -C10H10-3 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} -4 C u0 p0 c0 {1,S} {9,D} {15,S} -5 C u0 p0 c0 {2,S} {8,D} {14,S} -6 C u0 p0 c0 {3,S} {10,D} {18,S} -7 *2 C u0 p0 c0 {3,D} {9,S} {19,S} -8 C u0 p0 c0 {5,D} {10,S} {16,S} -9 C u0 p0 c0 {4,D} {7,S} {20,S} -10 C u0 p0 c0 {6,D} {8,S} {17,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +C6H9-4 +multiplicity 2 +1 C u0 p0 c0 {4,S} {5,S} {7,S} {8,S} +2 *1 C u0 p0 c0 {5,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {3,S} {6,D} +5 *2 C u1 p0 c0 {1,S} {2,S} {14,S} +6 C u0 p0 c0 {2,S} {4,D} {15,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 *3 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {9,S} - -C10H10-8 -1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {3,S} {6,S} {13,S} {14,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} -4 *2 C u0 p0 c0 {3,D} {7,S} {8,S} -5 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {4,S} {10,D} {18,S} -9 C u0 p0 c0 {6,D} {10,S} {19,S} -10 C u0 p0 c0 {8,D} {9,S} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {6,S} -C10H10-9 -1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} -3 *1 C u0 p0 c0 {1,S} {4,B} {7,B} -4 C u0 p0 c0 {2,S} {3,B} {8,B} -5 C u0 p0 c0 {1,S} {6,D} {15,S} -6 C u0 p0 c0 {2,S} {5,D} {16,S} -7 *2 C u0 p0 c0 {3,B} {10,B} {17,S} -8 C u0 p0 c0 {4,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {19,S} -10 C u0 p0 c0 {7,B} {9,B} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} +C6H8-2 +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 *2 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 *1 C u0 p0 c0 {4,D} {5,S} {14,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C10H11-20 +C7H11-3 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {5,B} {7,B} -5 C u0 p0 c0 {4,B} {6,S} {8,B} -6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} -7 C u0 p0 c0 {4,B} {9,B} {18,S} -8 C u0 p0 c0 {5,B} {10,B} {19,S} -9 C u0 p0 c0 {7,B} {10,B} {20,S} -10 C u0 p0 c0 {8,B} {9,B} {21,S} -11 *3 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {7,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {2,S} {6,D} +5 *1 C u0 p0 c0 {1,S} {7,D} {16,S} +6 C u0 p0 c0 {4,D} {17,S} {18,S} +7 *2 C u1 p0 c0 {3,S} {5,D} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -21 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} -C10H11-21 +C7H11-4 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {2,S} {5,B} {7,B} -5 C u0 p0 c0 {4,B} {6,S} {8,B} -6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} -7 C u0 p0 c0 {4,B} {10,B} {21,S} -8 C u0 p0 c0 {5,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {19,S} -10 C u0 p0 c0 {7,B} {9,B} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {5,S} {6,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {5,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} +5 *2 C u1 p0 c0 {1,S} {2,S} {3,S} +6 C u0 p0 c0 {1,S} {4,S} {7,D} +7 C u0 p0 c0 {2,S} {6,D} {18,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {7,S} -C10H11-22 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} -4 C u0 p0 c0 {2,B} {8,B} {18,S} -5 C u0 p0 c0 {2,B} {7,B} {19,S} -6 C u0 p0 c0 {7,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {6,B} {15,S} -8 C u0 p0 c0 {4,B} {6,B} {17,S} -9 C u0 p0 c0 {3,S} {10,D} {14,S} -10 C u0 p0 c0 {9,D} {20,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} +C7H10-2 +1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {5,S} {13,S} {14,S} {15,S} +4 *2 C u0 p0 c0 {1,S} {2,S} {6,D} +5 C u0 p0 c0 {1,S} {3,S} {7,D} +6 *1 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u0 p0 c0 {5,D} {6,S} {17,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {9,S} -15 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} - -C10H11-23 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} -3 C u0 p0 c0 {1,S} {10,D} {12,S} -4 C u0 p0 c0 {2,B} {8,B} {16,S} -5 C u0 p0 c0 {2,B} {7,B} {17,S} -6 C u0 p0 c0 {7,B} {8,B} {14,S} -7 C u0 p0 c0 {5,B} {6,B} {13,S} -8 C u0 p0 c0 {4,B} {6,B} {15,S} -9 *2 C u1 p0 c0 {1,S} {18,S} {19,S} -10 C u0 p0 c0 {3,D} {20,S} {21,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {7,S} -C10H11-24 +C4H5 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} -4 C u0 p0 c0 {2,B} {6,B} {15,S} -5 C u0 p0 c0 {2,B} {7,B} {16,S} -6 C u0 p0 c0 {4,B} {8,B} {17,S} -7 C u0 p0 c0 {5,B} {8,B} {18,S} -8 C u0 p0 c0 {6,B} {7,B} {19,S} -9 C u0 p0 c0 {3,S} {10,D} {14,S} -10 C u0 p0 c0 {9,D} {20,S} {21,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {9,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {4,D} {8,S} {9,S} +4 *3 C u1 p0 c0 {1,S} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} -CH2CH2NH2 +C7H9-19 multiplicity 2 -1 N u0 p1 c0 {2,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} -3 *2 C u1 p0 c0 {2,S} {6,S} {7,S} -4 *3 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} - -C9H8 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 C u0 p0 c0 {1,S} {5,D} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {11,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,D} {7,S} {13,S} -6 C u0 p0 c0 {2,S} {9,D} {15,S} -7 C u0 p0 c0 {3,D} {5,S} {14,S} -8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {6,D} {8,S} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,D} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} +3 C u0 p0 c0 {1,S} {7,D} {8,S} +4 *2 C u1 p0 c0 {2,S} {9,S} {10,S} +5 C u0 p0 c0 {2,D} {11,S} {12,S} +6 C u0 p0 c0 {1,D} {15,S} {16,S} +7 C u0 p0 c0 {3,D} {13,S} {14,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {8,S} - -C9H9 -multiplicity 2 -1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {3,B} {4,B} {8,S} -3 C u0 p0 c0 {2,B} {6,B} {16,S} -4 C u0 p0 c0 {2,B} {7,B} {17,S} -5 C u0 p0 c0 {6,B} {7,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {4,B} {5,B} {15,S} -8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} -C8H7 +C7H9-20 multiplicity 2 -1 C u0 p0 c0 {2,B} {5,S} {8,B} -2 C u0 p0 c0 {1,B} {3,B} {10,S} -3 C u0 p0 c0 {2,B} {4,B} {11,S} -4 C u0 p0 c0 {3,B} {6,B} {9,S} -5 C u0 p0 c0 {1,S} {7,D} {12,S} -6 C u0 p0 c0 {4,B} {8,B} {13,S} -7 C u0 p0 c0 {5,D} {14,S} {15,S} -8 *3 C u1 p0 c0 {1,B} {6,B} -9 H u0 p0 c0 {4,S} +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {4,S} {6,D} +4 C u0 p0 c0 {3,S} {5,S} {7,D} +5 *2 C u1 p0 c0 {2,S} {4,S} {12,S} +6 C u0 p0 c0 {3,D} {15,S} {16,S} +7 C u0 p0 c0 {4,D} {13,S} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} +11 *3 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} - -NH2 -multiplicity 2 -1 *3 N u1 p1 c0 {2,S} {3,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} - -C9H11-10 -multiplicity 2 -1 C u0 p0 c0 {3,S} {5,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {3,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {2,S} {6,D} -4 *2 C u1 p0 c0 {2,S} {7,S} {15,S} -5 C u0 p0 c0 {1,S} {9,D} {14,S} -6 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {4,S} {8,D} {18,S} -8 C u0 p0 c0 {6,S} {7,D} {17,S} -9 C u0 p0 c0 {5,D} {19,S} {20,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} - -C9H11-11 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {18,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {19,S} -9 C u0 p0 c0 {6,B} {8,B} {20,S} -10 H u0 p0 c0 {1,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} -C9H11-12 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -6 C u0 p0 c0 {2,S} {8,D} {17,S} -7 C u0 p0 c0 {5,S} {9,D} {20,S} -8 C u0 p0 c0 {6,D} {9,S} {18,S} -9 C u0 p0 c0 {7,D} {8,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {7,S} +C7H8-11 +1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {3,S} {6,D} +3 C u0 p0 c0 {2,S} {5,S} {7,D} +4 *1 C u0 p0 c0 {1,S} {5,D} {10,S} +5 *2 C u0 p0 c0 {3,S} {4,D} {11,S} +6 C u0 p0 c0 {2,D} {14,S} {15,S} +7 C u0 p0 c0 {3,D} {12,S} {13,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} -C9H11-13 +C7H9-21 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {2,S} {7,D} -6 *2 C u1 p0 c0 {2,S} {8,S} {17,S} -7 C u0 p0 c0 {5,D} {9,S} {20,S} -8 C u0 p0 c0 {6,S} {9,D} {18,S} -9 C u0 p0 c0 {7,S} {8,D} {19,S} +1 C u0 p0 c0 {7,S} {8,S} {9,S} {10,S} +2 *3 C u0 p0 c0 {3,S} {4,S} {5,D} +3 C u0 p0 c0 {2,S} {6,D} {11,S} +4 *1 C u0 p0 c0 {2,S} {7,D} {12,S} +5 C u0 p0 c0 {2,D} {15,S} {16,S} +6 C u0 p0 c0 {3,D} {13,S} {14,S} +7 *2 C u1 p0 c0 {1,S} {4,D} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {5,S} -C9H11-14 +C7H9-22 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {2,S} {9,D} -4 *2 C u1 p0 c0 {1,S} {7,S} {15,S} -5 C u0 p0 c0 {1,S} {6,D} {14,S} -6 C u0 p0 c0 {5,D} {8,S} {16,S} -7 C u0 p0 c0 {4,S} {8,D} {17,S} -8 C u0 p0 c0 {6,S} {7,D} {18,S} -9 C u0 p0 c0 {3,D} {19,S} {20,S} -10 *3 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} +4 C u0 p0 c0 {1,S} {6,S} {7,D} +5 C u0 p0 c0 {3,S} {6,D} {14,S} +6 C u0 p0 c0 {4,S} {5,D} {13,S} +7 C u0 p0 c0 {4,D} {15,S} {16,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} -C9H9-16 -multiplicity 2 -1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {1,S} {9,D} {17,S} -9 *2 C u1 p0 c0 {8,D} {18,S} +C7H8-12 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 *2 C u0 p0 c0 {1,S} {4,D} {5,S} +3 C u0 p0 c0 {4,S} {6,S} {7,D} +4 *1 C u0 p0 c0 {2,D} {3,S} {12,S} +5 C u0 p0 c0 {2,S} {6,D} {13,S} +6 C u0 p0 c0 {3,S} {5,D} {11,S} +7 C u0 p0 c0 {3,D} {14,S} {15,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 *3 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -C9H9-17 -multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,S} {4,B} {5,B} -3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {8,B} {17,S} -6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 C u0 p0 c0 {6,B} {8,B} {15,S} -8 C u0 p0 c0 {5,B} {7,B} {16,S} -9 *2 C u1 p0 c0 {3,D} {18,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {9,S} +C3H4-3 +1 *1 C u0 p0 c0 {3,D} {4,S} {5,S} +2 C u0 p0 c0 {3,D} {6,S} {7,S} +3 *2 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} -C9H9-14 +C6H9-5 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {3,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {9,D} {17,S} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} +3 C u0 p0 c0 {1,S} {4,D} {11,S} +4 C u0 p0 c0 {3,D} {12,S} {13,S} +5 C u0 p0 c0 {6,D} {14,S} {15,S} +6 *2 C u1 p0 c0 {2,S} {5,D} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} - -C9H9-15 -multiplicity 2 -1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {9,D} {17,S} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {8,S} -18 *3 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {5,S} -C9H9-12 +C7H11-5 multiplicity 2 -1 *1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {8,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {7,B} {16,S} -7 C u0 p0 c0 {5,B} {6,B} {17,S} -8 C u0 p0 c0 {2,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} +3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {3,S} {5,D} +5 C u0 p0 c0 {4,D} {15,S} {16,S} +6 C u0 p0 c0 {7,D} {17,S} {18,S} +7 *2 C u1 p0 c0 {2,S} {6,D} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} -C9H9-13 +C5H7 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *2 C u1 p0 c0 {1,S} {8,S} {15,S} -3 C u0 p0 c0 {1,B} {5,B} {10,S} -4 C u0 p0 c0 {1,B} {6,B} {11,S} -5 C u0 p0 c0 {3,B} {7,B} {12,S} -6 C u0 p0 c0 {4,B} {7,B} {13,S} -7 C u0 p0 c0 {5,B} {6,B} {14,S} -8 *1 C u0 p0 c0 {2,S} {9,D} {16,S} -9 C u0 p0 c0 {8,D} {17,S} {18,S} -10 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 *1 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {10,S} {11,S} +5 *2 C u1 p0 c0 {3,D} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {2,S} -16 *3 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -C9H9-10 +C5H7-2 multiplicity 2 -1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {8,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {1,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} -18 *3 H u0 p0 c0 {8,S} +1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {8,S} {9,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {10,S} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 *3 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} -C9H9-11 +C3H3 multiplicity 2 -1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {2,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} -18 *3 H u0 p0 c0 {8,S} +1 *3 C u1 p0 c0 {2,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {3,T} +3 C u0 p0 c0 {2,T} {6,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} -C9H9-18 +C5H5-2 multiplicity 2 -1 *3 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {17,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {15,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} -9 *2 C u1 p0 c0 {2,S} {8,D} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {8,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,T} +4 *2 C u1 p0 c0 {2,D} {9,S} +5 C u0 p0 c0 {3,T} {10,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} -C9H9-19 +C6H7 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 *3 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {5,S} {13,S} -4 C u0 p0 c0 {1,S} {6,D} {14,S} -5 C u0 p0 c0 {3,S} {7,D} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {17,S} -7 C u0 p0 c0 {5,D} {6,S} {16,S} -8 C u0 p0 c0 {2,S} {9,T} -9 C u0 p0 c0 {8,T} {18,S} -10 H u0 p0 c0 {1,S} +1 *3 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {12,S} +4 *2 C u1 p0 c0 {2,S} {3,D} +5 C u0 p0 c0 {1,S} {6,T} +6 C u0 p0 c0 {5,T} {13,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {9,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {6,S} -C7H8-27 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {11,S} -4 *2 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} -7 *1 C u0 p0 c0 {4,B} {6,B} {14,S} +C3H4-4 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *1 C u0 p0 c0 {1,S} {3,T} +3 *2 C u0 p0 c0 {2,T} {7,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} + +C6H7-2 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {5,D} +4 C u0 p0 c0 {1,S} {6,T} +5 *2 C u1 p0 c0 {3,D} {12,S} +6 C u0 p0 c0 {4,T} {13,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {4,S} -C7H8-29 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 *2 C u0 p0 c0 {3,B} {6,B} {12,S} -6 *1 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} +C6H7-3 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 *3 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 C u0 p0 c0 {4,D} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {3,D} +5 C u0 p0 c0 {2,S} {6,T} +6 C u0 p0 c0 {5,T} {13,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {4,S} -CH3 +C10H11 multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {3,S} {4,S} -2 H u0 p0 c0 {1,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {6,S} {7,S} {12,S} +3 C u0 p0 c0 {4,S} {8,S} {13,S} {14,S} +4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} +5 C u0 p0 c0 {1,S} {8,D} {17,S} +6 C u0 p0 c0 {2,S} {9,D} {18,S} +7 C u0 p0 c0 {2,S} {10,D} {19,S} +8 C u0 p0 c0 {3,S} {5,D} {16,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {7,D} {9,S} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C10H11-9 +C10H11-2 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} 3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {8,D} {15,S} -5 C u0 p0 c0 {2,S} {7,D} {17,S} -6 *2 C u1 p0 c0 {2,S} {9,S} {18,S} -7 C u0 p0 c0 {3,S} {5,D} {16,S} -8 C u0 p0 c0 {4,D} {10,S} {19,S} -9 C u0 p0 c0 {6,S} {10,D} {20,S} -10 C u0 p0 c0 {8,S} {9,D} {21,S} +4 *2 C u1 p0 c0 {1,S} {8,S} {16,S} +5 C u0 p0 c0 {2,S} {9,D} {17,S} +6 C u0 p0 c0 {2,S} {10,D} {18,S} +7 C u0 p0 c0 {3,S} {8,D} {15,S} +8 C u0 p0 c0 {4,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {10,S} {20,S} +10 C u0 p0 c0 {6,D} {9,S} {21,S} 11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {5,S} 18 H u0 p0 c0 {6,S} 19 H u0 p0 c0 {8,S} 20 H u0 p0 c0 {9,S} 21 H u0 p0 c0 {10,S} -C10H11-8 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} -3 C u0 p0 c0 {4,S} {7,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {3,S} {8,D} -5 *2 C u1 p0 c0 {1,S} {9,S} {18,S} -6 C u0 p0 c0 {2,S} {10,D} {16,S} -7 C u0 p0 c0 {3,S} {9,D} {17,S} -8 C u0 p0 c0 {4,D} {10,S} {19,S} -9 C u0 p0 c0 {5,S} {7,D} {21,S} -10 C u0 p0 c0 {6,D} {8,S} {20,S} -11 *3 H u0 p0 c0 {1,S} +C10H10 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {6,D} {7,S} +4 C u0 p0 c0 {1,S} {9,D} {14,S} +5 C u0 p0 c0 {2,S} {8,D} {15,S} +6 *2 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {3,S} {10,D} {17,S} +8 C u0 p0 c0 {5,D} {6,S} {18,S} +9 C u0 p0 c0 {4,D} {10,S} {19,S} +10 C u0 p0 c0 {7,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {9,S} C10H11-3 multiplicity 2 @@ -1630,30 +1627,64 @@ multiplicity 2 20 H u0 p0 c0 {9,S} 21 H u0 p0 c0 {10,S} -C10H11-2 +C10H11-4 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} -3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -4 *2 C u1 p0 c0 {1,S} {8,S} {16,S} -5 C u0 p0 c0 {2,S} {9,D} {17,S} -6 C u0 p0 c0 {2,S} {10,D} {18,S} -7 C u0 p0 c0 {3,S} {8,D} {15,S} -8 C u0 p0 c0 {4,S} {7,D} {19,S} -9 C u0 p0 c0 {5,D} {10,S} {20,S} -10 C u0 p0 c0 {6,D} {9,S} {21,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {12,S} +3 C u0 p0 c0 {1,S} {6,D} {13,S} +4 *3 C u0 p0 c0 {1,S} {7,D} {14,S} +5 C u0 p0 c0 {2,S} {8,D} {15,S} +6 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {4,D} {9,S} {19,S} +8 C u0 p0 c0 {5,D} {6,S} {17,S} +9 C u0 p0 c0 {7,S} {10,D} {18,S} +10 C u0 p0 c0 {9,D} {20,S} {21,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {10,S} +C4H5-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *3 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +C10H10-2 +1 *1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 *2 C u0 p0 c0 {1,B} {5,B} {11,S} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {16,S} +7 C u0 p0 c0 {3,B} {6,B} {15,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {8,S} {10,D} {18,S} +10 C u0 p0 c0 {9,D} {19,S} {20,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} + C10H11-5 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} @@ -1678,66 +1709,199 @@ multiplicity 2 20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {10,S} -C10H11-4 +C9H8 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {5,D} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {11,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,D} {7,S} {13,S} +6 C u0 p0 c0 {2,S} {9,D} {15,S} +7 C u0 p0 c0 {3,D} {5,S} {14,S} +8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {6,D} {8,S} {16,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {8,S} + +C10H11-6 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {12,S} -3 C u0 p0 c0 {1,S} {6,D} {13,S} -4 *3 C u0 p0 c0 {1,S} {7,D} {14,S} -5 C u0 p0 c0 {2,S} {8,D} {15,S} -6 C u0 p0 c0 {3,D} {8,S} {16,S} -7 C u0 p0 c0 {4,D} {9,S} {19,S} -8 C u0 p0 c0 {5,D} {6,S} {17,S} -9 C u0 p0 c0 {7,S} {10,D} {18,S} -10 C u0 p0 c0 {9,D} {20,S} {21,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {6,S} {12,S} +3 *3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {7,D} {8,S} +5 *2 C u1 p0 c0 {1,S} {10,S} {17,S} +6 C u0 p0 c0 {2,S} {9,D} {16,S} +7 C u0 p0 c0 {4,D} {9,S} {18,S} +8 C u0 p0 c0 {4,S} {10,D} {20,S} +9 C u0 p0 c0 {6,D} {7,S} {19,S} +10 C u0 p0 c0 {5,S} {8,D} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {8,S} +21 H u0 p0 c0 {10,S} + +C10H11-7 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} +3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} +4 C u0 p0 c0 {1,S} {8,D} {16,S} +5 *2 C u1 p0 c0 {2,S} {8,S} {18,S} +6 C u0 p0 c0 {2,S} {10,D} {17,S} +7 C u0 p0 c0 {3,S} {9,D} {15,S} +8 C u0 p0 c0 {4,D} {5,S} {21,S} +9 C u0 p0 c0 {7,D} {10,S} {19,S} +10 C u0 p0 c0 {6,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {8,S} + +C10H10-3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} +4 C u0 p0 c0 {1,S} {9,D} {15,S} +5 C u0 p0 c0 {2,S} {8,D} {14,S} +6 C u0 p0 c0 {3,S} {10,D} {18,S} +7 *2 C u0 p0 c0 {3,D} {9,S} {19,S} +8 C u0 p0 c0 {5,D} {10,S} {16,S} +9 C u0 p0 c0 {4,D} {7,S} {20,S} +10 C u0 p0 c0 {6,D} {8,S} {17,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {7,S} +20 H u0 p0 c0 {9,S} + +C10H10-4 +1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +3 *1 C u0 p0 c0 {1,S} {4,S} {7,D} +4 C u0 p0 c0 {2,S} {3,S} {8,D} +5 C u0 p0 c0 {1,S} {9,D} {15,S} +6 C u0 p0 c0 {2,S} {10,D} {16,S} +7 *2 C u0 p0 c0 {3,D} {10,S} {17,S} +8 C u0 p0 c0 {4,D} {9,S} {18,S} +9 C u0 p0 c0 {5,D} {8,S} {19,S} +10 C u0 p0 c0 {6,D} {7,S} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} + +C10H11-8 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {4,S} {7,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {3,S} {8,D} +5 *2 C u1 p0 c0 {1,S} {9,S} {18,S} +6 C u0 p0 c0 {2,S} {10,D} {16,S} +7 C u0 p0 c0 {3,S} {9,D} {17,S} +8 C u0 p0 c0 {4,D} {10,S} {19,S} +9 C u0 p0 c0 {5,S} {7,D} {21,S} +10 C u0 p0 c0 {6,D} {8,S} {20,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {9,S} + +C10H10-5 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {6,S} {7,D} +4 C u0 p0 c0 {1,S} {8,D} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {15,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 *2 C u0 p0 c0 {3,D} {9,S} {17,S} +8 C u0 p0 c0 {4,D} {10,S} {18,S} +9 C u0 p0 c0 {7,S} {10,D} {19,S} +10 C u0 p0 c0 {8,S} {9,D} {20,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} -C10H11-7 +C10H11-9 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} 2 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {12,S} 3 C u0 p0 c0 {1,S} {7,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {8,D} {16,S} -5 *2 C u1 p0 c0 {2,S} {8,S} {18,S} -6 C u0 p0 c0 {2,S} {10,D} {17,S} -7 C u0 p0 c0 {3,S} {9,D} {15,S} -8 C u0 p0 c0 {4,D} {5,S} {21,S} -9 C u0 p0 c0 {7,D} {10,S} {19,S} -10 C u0 p0 c0 {6,D} {9,S} {20,S} +4 C u0 p0 c0 {1,S} {8,D} {15,S} +5 C u0 p0 c0 {2,S} {7,D} {17,S} +6 *2 C u1 p0 c0 {2,S} {9,S} {18,S} +7 C u0 p0 c0 {3,S} {5,D} {16,S} +8 C u0 p0 c0 {4,D} {10,S} {19,S} +9 C u0 p0 c0 {6,S} {10,D} {20,S} +10 C u0 p0 c0 {8,S} {9,D} {21,S} 11 H u0 p0 c0 {1,S} 12 *3 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C10H11-6 +C10H11-10 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} 2 C u0 p0 c0 {1,S} {4,S} {6,S} {12,S} 3 *3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} 4 C u0 p0 c0 {2,S} {7,D} {8,S} -5 *2 C u1 p0 c0 {1,S} {10,S} {17,S} +5 *2 C u1 p0 c0 {1,S} {7,S} {17,S} 6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,D} {9,S} {18,S} +7 C u0 p0 c0 {4,D} {5,S} {21,S} 8 C u0 p0 c0 {4,S} {10,D} {20,S} -9 C u0 p0 c0 {6,D} {7,S} {19,S} -10 C u0 p0 c0 {5,S} {8,D} {21,S} +9 C u0 p0 c0 {6,D} {10,S} {19,S} +10 C u0 p0 c0 {8,D} {9,S} {18,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} @@ -1745,178 +1909,51 @@ multiplicity 2 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {10,S} 19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {10,S} - -C12H18 -1 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} -3 C u0 p0 c0 {2,S} {5,S} {19,S} {20,S} -4 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} -5 C u0 p0 c0 {3,S} {7,S} {21,S} {22,S} -6 C u0 p0 c0 {4,S} {23,S} {24,S} {25,S} -7 *1 C u0 p0 c0 {5,S} {8,B} {9,B} -8 *2 C u0 p0 c0 {7,B} {10,B} {26,S} -9 C u0 p0 c0 {7,B} {12,B} {30,S} -10 C u0 p0 c0 {8,B} {11,B} {27,S} -11 C u0 p0 c0 {10,B} {12,B} {28,S} -12 C u0 p0 c0 {9,B} {11,B} {29,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} -25 H u0 p0 c0 {6,S} -26 H u0 p0 c0 {8,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {11,S} -29 H u0 p0 c0 {12,S} -30 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {7,S} -C9H10-7 -1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {5,B} {6,B} -3 *1 C u0 p0 c0 {1,S} {4,D} {13,S} -4 *2 C u0 p0 c0 {2,S} {3,D} {17,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {15,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {19,S} +C9H8-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {6,D} +3 C u0 p0 c0 {1,S} {7,D} {11,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {15,S} +6 C u0 p0 c0 {2,D} {8,S} {16,S} +7 C u0 p0 c0 {3,D} {9,S} {14,S} +8 *2 C u0 p0 c0 {4,D} {6,S} {17,S} +9 C u0 p0 c0 {5,D} {7,S} {13,S} 10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} - -C9H10-6 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 C u0 p0 c0 {1,S} {9,D} {12,S} -4 *1 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 *2 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 C u0 p0 c0 {3,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C4H5-11 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 *2 C u1 p0 c0 {1,S} {7,S} {8,S} -3 C u0 p0 c0 {1,S} {4,T} -4 C u0 p0 c0 {3,T} {9,S} -5 H u0 p0 c0 {1,S} -6 *3 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} - -C9H10-9 -1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {9,D} -3 *1 C u0 p0 c0 {2,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {13,S} -5 *2 C u0 p0 c0 {3,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 C u0 p0 c0 {2,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -C10H11-19 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} -4 C u0 p0 c0 {1,S} {5,B} {8,B} -5 C u0 p0 c0 {2,S} {4,B} {7,B} -6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} -7 C u0 p0 c0 {5,B} {10,B} {21,S} -8 C u0 p0 c0 {4,B} {9,B} {18,S} -9 C u0 p0 c0 {8,B} {10,B} {19,S} -10 C u0 p0 c0 {7,B} {9,B} {20,S} +C10H10-6 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,S} {7,D} +4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {15,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 C u0 p0 c0 {3,D} {9,S} {17,S} +8 *2 C u0 p0 c0 {4,D} {10,S} {18,S} +9 C u0 p0 c0 {7,S} {10,D} {19,S} +10 C u0 p0 c0 {8,S} {9,D} {20,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} 20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {7,S} - -C6H7-8 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {10,S} -3 C u0 p0 c0 {1,S} {4,D} {9,S} -4 C u0 p0 c0 {3,D} {6,S} {11,S} -5 C u0 p0 c0 {2,S} {6,D} {12,S} -6 C u0 p0 c0 {4,S} {5,D} {13,S} -7 H u0 p0 c0 {1,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} - -C9H10-8 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {5,B} {7,B} -5 *1 C u0 p0 c0 {2,S} {4,B} {6,B} -6 *2 C u0 p0 c0 {5,B} {8,B} {17,S} -7 C u0 p0 c0 {4,B} {9,B} {19,S} -8 C u0 p0 c0 {6,B} {9,B} {16,S} -9 C u0 p0 c0 {7,B} {8,B} {18,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {7,S} C10H11-11 multiplicity 2 @@ -1942,77 +1979,119 @@ multiplicity 2 20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {9,S} -C10H11-10 +C10H10-7 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,D} {7,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +5 C u0 p0 c0 {2,S} {9,D} {15,S} +6 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {3,S} {10,D} {17,S} +8 *2 C u0 p0 c0 {4,D} {6,S} {18,S} +9 C u0 p0 c0 {5,D} {10,S} {19,S} +10 C u0 p0 c0 {7,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} + +C10H11-12 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {6,S} {12,S} -3 *3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {7,D} {8,S} -5 *2 C u1 p0 c0 {1,S} {7,S} {17,S} +1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {6,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {7,D} {8,S} +5 *2 C u1 p0 c0 {3,S} {7,S} {17,S} 6 C u0 p0 c0 {2,S} {9,D} {16,S} -7 C u0 p0 c0 {4,D} {5,S} {21,S} -8 C u0 p0 c0 {4,S} {10,D} {20,S} -9 C u0 p0 c0 {6,D} {10,S} {19,S} -10 C u0 p0 c0 {8,D} {9,S} {18,S} +7 C u0 p0 c0 {4,D} {5,S} {18,S} +8 C u0 p0 c0 {4,S} {10,D} {19,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {8,D} {9,S} {21,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} +15 *3 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C6H7-3 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 C u0 p0 c0 {4,D} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {3,D} -5 C u0 p0 c0 {2,S} {6,T} -6 C u0 p0 c0 {5,T} {13,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {6,S} +C10H10-8 +1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {6,S} {13,S} {14,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *2 C u0 p0 c0 {3,D} {7,S} {8,S} +5 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {2,S} {9,D} {16,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {4,S} {10,D} {18,S} +9 C u0 p0 c0 {6,D} {10,S} {19,S} +10 C u0 p0 c0 {8,D} {9,S} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} -C6H7-2 +C10H11-13 multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {5,D} -4 C u0 p0 c0 {1,S} {6,T} -5 *2 C u1 p0 c0 {3,D} {12,S} -6 C u0 p0 c0 {4,T} {13,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {6,S} {14,S} {15,S} +4 *2 C u1 p0 c0 {1,S} {7,S} {8,S} +5 C u0 p0 c0 {2,S} {7,D} {16,S} +6 C u0 p0 c0 {3,S} {9,D} {17,S} +7 C u0 p0 c0 {4,S} {5,D} {18,S} +8 C u0 p0 c0 {4,S} {10,D} {19,S} +9 C u0 p0 c0 {6,D} {10,S} {20,S} +10 C u0 p0 c0 {8,D} {9,S} {21,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C6H7-5 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} -6 *2 C u1 p0 c0 {1,S} {12,S} {13,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} +C10H10-9 +1 C u0 p0 c0 {3,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {6,S} {13,S} {14,S} +3 *1 C u0 p0 c0 {1,S} {4,B} {7,B} +4 C u0 p0 c0 {2,S} {3,B} {8,B} +5 C u0 p0 c0 {1,S} {6,D} {15,S} +6 C u0 p0 c0 {2,S} {5,D} {16,S} +7 *2 C u0 p0 c0 {3,B} {10,B} {17,S} +8 C u0 p0 c0 {4,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {19,S} +10 C u0 p0 c0 {7,B} {9,B} {20,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} C10H11-14 multiplicity 2 @@ -2038,16 +2117,32 @@ multiplicity 2 20 H u0 p0 c0 {10,S} 21 H u0 p0 c0 {9,S} -C6H7-7 +C6H7-4 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {6,D} -3 *2 C u1 p0 c0 {1,S} {5,S} {9,S} -4 C u0 p0 c0 {2,S} {5,D} {10,S} -5 C u0 p0 c0 {3,S} {4,D} {11,S} -6 C u0 p0 c0 {2,D} {12,S} {13,S} +1 *1 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} +5 C u0 p0 c0 {3,D} {6,S} {12,S} +6 C u0 p0 c0 {4,D} {5,S} {13,S} 7 H u0 p0 c0 {1,S} -8 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} + +C6H7-5 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 *2 C u1 p0 c0 {1,S} {12,S} {13,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {3,S} 10 H u0 p0 c0 {4,S} 11 H u0 p0 c0 {5,S} @@ -2070,85 +2165,205 @@ multiplicity 2 12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {6,S} -C7H6 -1 *2 C u0 p0 c0 {2,S} {3,S} {7,D} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u0 p0 c0 {7,D} {12,S} {13,S} -7 *1 C u0 p0 c0 {1,D} {6,D} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +C6H7-7 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {6,D} +3 *2 C u1 p0 c0 {1,S} {5,S} {9,S} +4 C u0 p0 c0 {2,S} {5,D} {10,S} +5 C u0 p0 c0 {3,S} {4,D} {11,S} +6 C u0 p0 c0 {2,D} {12,S} {13,S} +7 H u0 p0 c0 {1,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +C6H7-8 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {10,S} +3 C u0 p0 c0 {1,S} {4,D} {9,S} +4 C u0 p0 c0 {3,D} {6,S} {11,S} +5 C u0 p0 c0 {2,S} {6,D} {12,S} +6 C u0 p0 c0 {4,S} {5,D} {13,S} +7 H u0 p0 c0 {1,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} + +C10H8 +1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {11,S} +4 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {13,S} +6 C u0 p0 c0 {2,S} {10,D} {14,S} +7 C u0 p0 c0 {3,D} {8,S} {15,S} +8 C u0 p0 c0 {4,D} {7,S} {16,S} +9 C u0 p0 c0 {5,D} {10,S} {17,S} +10 C u0 p0 c0 {6,D} {9,S} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + +C10H9 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,S} {9,D} {14,S} +6 C u0 p0 c0 {2,S} {10,D} {15,S} +7 C u0 p0 c0 {3,D} {8,S} {16,S} +8 C u0 p0 c0 {4,D} {7,S} {17,S} +9 C u0 p0 c0 {5,D} {10,S} {18,S} +10 C u0 p0 c0 {6,D} {9,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *1 C u0 p0 c0 {1,S} {7,D} {11,S} +4 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {13,S} +6 C u0 p0 c0 {2,S} {10,D} {14,S} +7 *2 C u0 p0 c0 {3,D} {8,S} {15,S} +8 C u0 p0 c0 {4,D} {7,S} {16,S} +9 C u0 p0 c0 {5,D} {10,S} {17,S} +10 C u0 p0 c0 {6,D} {9,S} {18,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} -C7H7 +C10H9-2 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {8,S} -2 C u0 p0 c0 {1,S} {4,D} {9,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,D} {5,S} {12,S} -5 C u0 p0 c0 {3,D} {4,S} {13,S} -6 *1 C u0 p0 c0 {1,S} {7,D} {11,S} -7 *2 C u1 p0 c0 {6,D} {14,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,D} {5,S} +3 C u0 p0 c0 {2,D} {6,S} {7,S} +4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} +5 C u0 p0 c0 {2,S} {8,D} {14,S} +6 C u0 p0 c0 {3,S} {9,D} {15,S} +7 C u0 p0 c0 {3,S} {10,D} {16,S} +8 C u0 p0 c0 {4,S} {5,D} {17,S} +9 C u0 p0 c0 {6,D} {10,S} {18,S} +10 C u0 p0 c0 {7,D} {9,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-3 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 C u0 p0 c0 {1,D} {5,S} {6,S} +3 *2 C u0 p0 c0 {1,S} {7,D} {11,S} +4 C u0 p0 c0 {1,S} {8,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {13,S} +6 C u0 p0 c0 {2,S} {10,D} {14,S} +7 *1 C u0 p0 c0 {3,D} {8,S} {15,S} +8 C u0 p0 c0 {4,D} {7,S} {16,S} +9 C u0 p0 c0 {5,D} {10,S} {17,S} +10 C u0 p0 c0 {6,D} {9,S} {18,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} - -C7H8 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {5,D} {9,S} -3 C u0 p0 c0 {1,S} {6,D} {10,S} -4 *2 C u0 p0 c0 {1,S} {7,D} {11,S} -5 C u0 p0 c0 {2,D} {6,S} {12,S} -6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 *1 C u0 p0 c0 {4,D} {14,S} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} -C7H9 +C10H9-3 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {5,S} {8,S} -2 *1 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {12,S} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {14,S} -6 C u0 p0 c0 {4,D} {7,S} {15,S} -7 C u0 p0 c0 {5,D} {6,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {3,D} {4,S} {6,S} +3 C u0 p0 c0 {2,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} +5 C u0 p0 c0 {1,S} {6,D} {14,S} +6 C u0 p0 c0 {2,S} {5,D} {15,S} +7 C u0 p0 c0 {3,S} {9,D} {16,S} +8 C u0 p0 c0 {3,S} {10,D} {17,S} +9 C u0 p0 c0 {7,D} {10,S} {18,S} +10 C u0 p0 c0 {8,D} {9,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} -C4H6-2 -1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 *2 C u0 p0 c0 {1,D} {7,S} {8,S} -4 C u0 p0 c0 {2,D} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +C10H9-4 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 C u0 p0 c0 {1,S} {5,S} {6,D} +3 *2 C u1 p0 c0 {1,S} {8,S} {13,S} +4 C u0 p0 c0 {1,S} {7,D} {12,S} +5 C u0 p0 c0 {2,S} {9,D} {16,S} +6 C u0 p0 c0 {2,D} {10,S} {17,S} +7 C u0 p0 c0 {4,D} {9,S} {14,S} +8 C u0 p0 c0 {3,S} {10,D} {18,S} +9 C u0 p0 c0 {5,D} {7,S} {15,S} +10 C u0 p0 c0 {6,S} {8,D} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-4 +1 *1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {13,S} +4 C u0 p0 c0 {2,B} {8,B} {14,S} +5 *2 C u0 p0 c0 {1,B} {9,B} {15,S} +6 C u0 p0 c0 {2,B} {10,B} {16,S} +7 C u0 p0 c0 {3,B} {8,B} {11,S} +8 C u0 p0 c0 {4,B} {7,B} {12,S} +9 C u0 p0 c0 {5,B} {10,B} {17,S} +10 C u0 p0 c0 {6,B} {9,B} {18,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} CH2CHNH2 1 N u0 p1 c0 {2,S} {7,S} {8,S} @@ -2160,93 +2375,39 @@ CH2CHNH2 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} -C4H2-2 -1 *1 C u0 p0 c0 {2,S} {3,T} -2 C u0 p0 c0 {1,S} {4,T} -3 *2 C u0 p0 c0 {1,T} {5,S} -4 C u0 p0 c0 {2,T} {6,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {4,S} - -C6H8-6 -1 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} -2 C u0 p0 c0 {4,S} {6,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} -4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} -5 C u0 p0 c0 {1,S} {6,D} {13,S} -6 C u0 p0 c0 {2,S} {5,D} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} - -C6H8-4 -1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} -4 C u0 p0 c0 {1,S} {5,D} {11,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 *2 C u0 p0 c0 {3,D} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} +CH2CH2NH2 +multiplicity 2 +1 N u0 p1 c0 {2,S} {8,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *2 C u1 p0 c0 {2,S} {6,S} {7,S} +4 *3 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} -C6H8-5 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 *2 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +NH2 +multiplicity 2 +1 *3 N u1 p1 c0 {2,S} {3,S} +2 H u0 p0 c0 {1,S} +3 H u0 p0 c0 {1,S} -C6H8-2 -1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {3,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 *2 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 *1 C u0 p0 c0 {4,D} {5,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +CH2NH +1 *1 N u0 p1 c0 {2,D} {5,S} +2 *2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {1,S} -C6H8-3 -1 *1 C u0 p0 c0 {2,D} {3,S} {8,S} -2 *2 C u0 p0 c0 {1,D} {4,S} {9,S} -3 C u0 p0 c0 {1,S} {5,D} {7,S} -4 C u0 p0 c0 {2,S} {6,D} {10,S} -5 C u0 p0 c0 {3,D} {11,S} {12,S} -6 C u0 p0 c0 {4,D} {13,S} {14,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} +CH2NH2 +multiplicity 2 +1 *1 N u0 p1 c0 {2,S} {5,S} {6,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 H u0 p0 c0 {2,S} +5 *3 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} C4H9-1 multiplicity 2 @@ -2264,26 +2425,220 @@ multiplicity 2 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {4,S} -C9H9-20 +C8H8 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {10,S} +3 C u0 p0 c0 {1,B} {7,B} {14,S} +4 *2 C u0 p0 c0 {1,S} {8,D} {9,S} +5 C u0 p0 c0 {2,B} {6,B} {11,S} +6 C u0 p0 c0 {5,B} {7,B} {12,S} +7 C u0 p0 c0 {3,B} {6,B} {13,S} +8 *1 C u0 p0 c0 {4,D} {15,S} {16,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} + +C12H17-1 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {11,S} -3 C u0 p0 c0 {1,S} {6,D} {12,S} -4 *3 C u0 p0 c0 {1,S} {9,D} {16,S} -5 C u0 p0 c0 {2,S} {7,D} {13,S} -6 C u0 p0 c0 {3,D} {7,S} {15,S} -7 C u0 p0 c0 {5,D} {6,S} {14,S} -8 C u0 p0 c0 {9,D} {17,S} {18,S} -9 C u0 p0 c0 {4,D} {8,D} +1 C u0 p0 c0 {2,S} {3,S} {15,S} {16,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {17,S} {18,S} +3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} +4 *1 C u0 p0 c0 {2,S} {7,S} {19,S} {20,S} +5 C u0 p0 c0 {3,S} {21,S} {22,S} {23,S} +6 C u0 p0 c0 {7,S} {8,B} {9,B} +7 *2 C u1 p0 c0 {4,S} {6,S} {24,S} +8 C u0 p0 c0 {6,B} {10,B} {25,S} +9 C u0 p0 c0 {6,B} {12,B} {29,S} +10 C u0 p0 c0 {8,B} {11,B} {26,S} +11 C u0 p0 c0 {10,B} {12,B} {27,S} +12 C u0 p0 c0 {9,B} {11,B} {28,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {5,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {10,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {12,S} +29 H u0 p0 c0 {9,S} + +C9H11-1 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {20,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {6,S} + +C9H11-3 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} +2 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} +7 C u0 p0 c0 {6,B} {8,B} {16,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} + +C7H7-3 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {12,S} +4 C u0 p0 c0 {2,B} {5,B} {9,S} +5 C u0 p0 c0 {4,B} {6,B} {10,S} +6 C u0 p0 c0 {3,B} {5,B} {11,S} +7 *3 C u1 p0 c0 {1,S} {13,S} {14,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} + +C12H18 +1 C u0 p0 c0 {2,S} {4,S} {15,S} {16,S} +2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} +3 C u0 p0 c0 {2,S} {5,S} {19,S} {20,S} +4 C u0 p0 c0 {1,S} {6,S} {13,S} {14,S} +5 C u0 p0 c0 {3,S} {7,S} {21,S} {22,S} +6 C u0 p0 c0 {4,S} {23,S} {24,S} {25,S} +7 *1 C u0 p0 c0 {5,S} {8,B} {9,B} +8 *2 C u0 p0 c0 {7,B} {10,B} {26,S} +9 C u0 p0 c0 {7,B} {12,B} {30,S} +10 C u0 p0 c0 {8,B} {11,B} {27,S} +11 C u0 p0 c0 {10,B} {12,B} {28,S} +12 C u0 p0 c0 {9,B} {11,B} {29,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {2,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {6,S} +26 H u0 p0 c0 {8,S} +27 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {11,S} +29 H u0 p0 c0 {12,S} +30 H u0 p0 c0 {9,S} + +C12H19-1 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {13,S} +2 C u0 p0 c0 {1,S} {5,S} {22,S} {23,S} +3 C u0 p0 c0 {4,S} {6,S} {16,S} {17,S} +4 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {4,S} {20,S} {21,S} +6 C u0 p0 c0 {3,S} {7,S} {14,S} {15,S} +7 C u0 p0 c0 {6,S} {24,S} {25,S} {26,S} +8 *2 C u0 p0 c0 {1,S} {10,D} {27,S} +9 C u0 p0 c0 {1,S} {11,D} {28,S} +10 C u0 p0 c0 {8,D} {12,S} {30,S} +11 C u0 p0 c0 {9,D} {12,S} {31,S} +12 C u1 p0 c0 {10,S} {11,S} {29,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {2,S} +23 H u0 p0 c0 {2,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {7,S} +27 H u0 p0 c0 {8,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {12,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {11,S} + +C7H8-27 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 *2 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 *1 C u0 p0 c0 {4,B} {6,B} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} + +C7H9-23 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {4,D} {6,S} +4 *2 C u0 p0 c0 {1,S} {3,D} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {14,S} +6 C u1 p0 c0 {3,S} {7,S} {15,S} +7 C u0 p0 c0 {5,D} {6,S} {16,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {7,S} C7H8-13 1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} @@ -2302,81 +2657,32 @@ C7H8-13 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {4,S} -C7H8-12 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 *2 C u0 p0 c0 {1,S} {4,D} {5,S} -3 C u0 p0 c0 {4,S} {6,S} {7,D} -4 *1 C u0 p0 c0 {2,D} {3,S} {12,S} -5 C u0 p0 c0 {2,S} {6,D} {13,S} -6 C u0 p0 c0 {3,S} {5,D} {11,S} -7 C u0 p0 c0 {3,D} {14,S} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} - -C7H8-11 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {3,S} {6,D} -3 C u0 p0 c0 {2,S} {5,S} {7,D} -4 *1 C u0 p0 c0 {1,S} {5,D} {10,S} -5 *2 C u0 p0 c0 {3,S} {4,D} {11,S} -6 C u0 p0 c0 {2,D} {14,S} {15,S} -7 C u0 p0 c0 {3,D} {12,S} {13,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {7,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -C7H8-10 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,S} {7,D} -3 *2 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {12,S} -7 C u0 p0 c0 {2,D} {14,S} {15,S} -8 H u0 p0 c0 {1,S} +C7H9-24 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 *2 C u0 p0 c0 {1,S} {2,S} {5,D} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,D} {7,S} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u1 p0 c0 {5,S} {6,S} {14,S} +8 *3 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} -C7H8-15 +C7H8-29 1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} 2 C u0 p0 c0 {1,S} {3,B} {4,B} 3 C u0 p0 c0 {2,B} {5,B} {11,S} 4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 *1 C u0 p0 c0 {3,B} {6,B} {12,S} -6 *2 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {4,S} - -C7H8-14 -1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 *1 C u0 p0 c0 {2,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} 5 *2 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} +6 *1 C u0 p0 c0 {5,B} {7,B} {13,S} 7 C u0 p0 c0 {4,B} {6,B} {14,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {1,S} @@ -2387,162 +2693,312 @@ C7H8-14 14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {4,S} -C4H5-9 +C7H9-25 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {8,S} -3 C u0 p0 c0 {2,S} {4,T} -4 C u0 p0 c0 {3,T} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {6,D} {7,S} +4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {14,S} +6 C u0 p0 c0 {3,D} {4,S} {15,S} +7 C u0 p0 c0 {3,S} {5,D} {16,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} -C4H5-8 +C7H9-26 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,D} {5,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {2,D} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {5,D} {12,S} +4 *2 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,D} {7,S} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {16,S} +7 C u1 p0 c0 {5,S} {6,S} {14,S} +8 *3 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} -C2H3O +C6H5 multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *2 C u1 p0 c0 {1,D} {2,S} -4 *3 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {9,S} +4 C u0 p0 c0 {2,B} {6,B} {10,S} +5 C u0 p0 c0 {3,B} {6,B} {11,S} +6 *3 C u1 p0 c0 {4,B} {5,B} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} -C4H5-3 +C9H11 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 C u0 p0 c0 {2,S} {3,D} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +3 *3 C u0 p0 c0 {1,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} +5 C u0 p0 c0 {3,B} {8,B} {19,S} +6 C u0 p0 c0 {3,B} {9,B} {20,S} +7 C u0 p0 c0 {8,B} {9,B} {17,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 C u0 p0 c0 {6,B} {7,B} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {6,S} -C4H5-2 +C9H11-2 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *3 C u1 p0 c0 {2,D} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {7,B} {17,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {7,B} {8,B} {15,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 C u0 p0 c0 {5,B} {6,B} {16,S} +9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C4H5-5 +C9H11-4 multiplicity 2 -1 *1 C u0 p0 c0 {2,D} {4,S} {5,S} -2 C u0 p0 c0 {1,D} {6,S} {7,S} -3 C u0 p0 c0 {4,D} {8,S} {9,S} -4 *2 C u1 p0 c0 {1,S} {3,D} -5 *3 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {19,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 *3 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {9,S} -C4H5-4 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {4,D} -3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -4 C u0 p0 c0 {2,D} {8,S} {9,S} -5 H u0 p0 c0 {1,S} -6 *3 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} +C9H10 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *2 C u0 p0 c0 {1,S} {9,D} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {8,B} {16,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 *1 C u0 p0 c0 {3,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C4H5-7 +C9H11-5 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {2,D} {9,S} -5 H u0 p0 c0 {1,S} -6 *3 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {19,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {9,S} -C4H5-6 -multiplicity 2 -1 C u0 p0 c0 {2,D} {4,S} {5,S} -2 C u0 p0 c0 {1,D} {6,S} {7,S} -3 *1 C u0 p0 c0 {4,D} {8,S} {9,S} -4 *2 C u1 p0 c0 {1,S} {3,D} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 *3 H u0 p0 c0 {3,S} +C9H10-2 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {5,B} {6,B} +3 *2 C u0 p0 c0 {1,S} {4,D} {13,S} +4 *1 C u0 p0 c0 {2,S} {3,D} {18,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {5,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {16,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {9,S} -C10H7 +C9H11-6 multiplicity 2 -1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {14,S} -4 C u0 p0 c0 {2,B} {5,B} {13,S} -5 C u0 p0 c0 {4,B} {6,B} {12,S} -6 C u0 p0 c0 {3,B} {5,B} {11,S} -7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {2,S} {10,T} -9 *2 C u1 p0 c0 {7,D} {16,S} -10 C u0 p0 c0 {8,T} {17,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 *3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C10H6 -1 C u0 p0 c0 {2,B} {3,B} {8,S} -2 C u0 p0 c0 {1,B} {4,B} {7,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {6,B} {12,S} -6 C u0 p0 c0 {4,B} {5,B} {13,S} -7 *1 C u0 p0 c0 {2,S} {9,T} -8 C u0 p0 c0 {1,S} {10,T} -9 *2 C u0 p0 c0 {7,T} {15,S} -10 C u0 p0 c0 {8,T} {16,S} +C8H8-2 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {10,S} +3 C u0 p0 c0 {1,B} {6,B} {11,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {9,S} +5 C u0 p0 c0 {2,B} {7,B} {12,S} +6 C u0 p0 c0 {3,B} {7,B} {13,S} +7 C u0 p0 c0 {5,B} {6,B} {14,S} +8 *2 C u0 p0 c0 {4,D} {15,S} {16,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} + +C9H11-7 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {9,S} -16 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C10H9 +C9H10-3 +1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {9,D} +3 C u0 p0 c0 {2,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {13,S} +5 C u0 p0 c0 {3,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 *2 C u0 p0 c0 {2,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +C9H11-8 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,S} {9,D} {14,S} -6 C u0 p0 c0 {2,S} {10,D} {15,S} -7 C u0 p0 c0 {3,D} {8,S} {16,S} -8 C u0 p0 c0 {4,D} {7,S} {17,S} -9 C u0 p0 c0 {5,D} {10,S} {18,S} -10 C u0 p0 c0 {6,D} {9,S} {19,S} -11 *3 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {9,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} + +C9H10-4 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *1 C u0 p0 c0 {1,S} {9,D} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 *2 C u0 p0 c0 {3,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} @@ -2550,296 +3006,298 @@ multiplicity 2 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} - -C10H8 -1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {11,S} -4 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {13,S} -6 C u0 p0 c0 {2,S} {10,D} {14,S} -7 C u0 p0 c0 {3,D} {8,S} {15,S} -8 C u0 p0 c0 {4,D} {7,S} {16,S} -9 C u0 p0 c0 {5,D} {10,S} {17,S} -10 C u0 p0 c0 {6,D} {9,S} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {9,S} -C5H5 +C9H11-9 multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {3,S} {6,S} -2 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {10,S} +2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} +3 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +4 C u0 p0 c0 {3,S} {5,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {4,S} {7,D} +6 *2 C u1 p0 c0 {1,S} {8,S} {17,S} +7 C u0 p0 c0 {5,D} {9,S} {20,S} +8 C u0 p0 c0 {6,S} {9,D} {18,S} +9 C u0 p0 c0 {7,S} {8,D} {19,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} -C5H6 -1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 *1 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +C9H10-5 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 *1 C u0 p0 c0 {2,S} {5,B} {6,B} +5 C u0 p0 c0 {3,S} {4,B} {7,B} +6 *2 C u0 p0 c0 {4,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {9,B} {19,S} +8 C u0 p0 c0 {6,B} {9,B} {17,S} +9 C u0 p0 c0 {7,B} {8,B} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} -C5H7 +C9H11-10 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 *1 C u0 p0 c0 {1,S} {5,D} {9,S} -4 C u0 p0 c0 {2,D} {10,S} {11,S} -5 *2 C u1 p0 c0 {3,D} {12,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {3,S} {5,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {3,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {2,S} {6,D} +4 *2 C u1 p0 c0 {2,S} {7,S} {15,S} +5 C u0 p0 c0 {1,S} {9,D} {14,S} +6 C u0 p0 c0 {3,D} {8,S} {16,S} +7 C u0 p0 c0 {4,S} {8,D} {18,S} +8 C u0 p0 c0 {6,S} {7,D} {17,S} +9 C u0 p0 c0 {5,D} {19,S} {20,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C9H8-14 -1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {1,S} {9,T} -9 *2 C u0 p0 c0 {8,T} {17,S} +C9H10-6 +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 C u0 p0 c0 {1,S} {9,D} {12,S} +4 *1 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 *2 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 C u0 p0 c0 {3,D} {18,S} {19,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {9,S} - -C9H8-11 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 *2 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {9,D} {16,S} {17,S} -9 *1 C u0 p0 c0 {7,D} {8,D} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C9H8-10 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 C u0 p0 c0 {1,S} {9,D} {15,S} -8 *1 C u0 p0 c0 {9,D} {16,S} {17,S} -9 *2 C u0 p0 c0 {7,D} {8,D} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} +C9H11-11 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {4,S} {5,B} {6,B} +4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} +5 C u0 p0 c0 {3,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {9,B} {18,S} +7 C u0 p0 c0 {5,B} {8,B} {17,S} +8 C u0 p0 c0 {7,B} {9,B} {19,S} +9 C u0 p0 c0 {6,B} {8,B} {20,S} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} -C9H8-13 -1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *2 C u0 p0 c0 {1,S} {9,T} -9 *1 C u0 p0 c0 {8,T} {17,S} +C9H10-7 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {5,B} {6,B} +3 *1 C u0 p0 c0 {1,S} {4,D} {13,S} +4 *2 C u0 p0 c0 {2,S} {3,D} {17,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {16,S} +7 C u0 p0 c0 {5,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {18,S} +9 C u0 p0 c0 {6,B} {8,B} {19,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} + +C9H11-12 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +6 C u0 p0 c0 {2,S} {8,D} {17,S} +7 C u0 p0 c0 {5,S} {9,D} {20,S} +8 C u0 p0 c0 {6,D} {9,S} {18,S} +9 C u0 p0 c0 {7,D} {8,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} -C9H8-12 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {5,B} {11,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {9,D} {16,S} {17,S} -9 *2 C u0 p0 c0 {7,D} {8,D} +C8H8-3 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {9,S} +2 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 *2 C u0 p0 c0 {1,S} {4,D} {6,S} +4 *1 C u0 p0 c0 {2,S} {3,D} {13,S} +5 C u0 p0 c0 {1,S} {7,D} {12,S} +6 C u0 p0 c0 {3,S} {8,D} {16,S} +7 C u0 p0 c0 {5,D} {8,S} {14,S} +8 C u0 p0 c0 {6,D} {7,S} {15,S} +9 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {8,S} - -CH2NH2 -multiplicity 2 -1 *1 N u0 p1 c0 {2,S} {5,S} {6,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 *3 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} -C5H7-2 +C9H11-13 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {3,S} {5,S} {8,S} {9,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {10,S} -4 C u0 p0 c0 {1,S} {5,D} {11,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 *3 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {11,S} +3 C u0 p0 c0 {1,S} {2,S} {12,S} {13,S} +4 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +5 C u0 p0 c0 {1,S} {2,S} {7,D} +6 *2 C u1 p0 c0 {2,S} {8,S} {17,S} +7 C u0 p0 c0 {5,D} {9,S} {20,S} +8 C u0 p0 c0 {6,S} {9,D} {18,S} +9 C u0 p0 c0 {7,S} {8,D} {19,S} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {7,S} -CH2NH -1 *1 N u0 p1 c0 {2,D} {5,S} -2 *2 C u0 p0 c0 {1,D} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {1,S} +C9H10-8 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {1,S} {5,B} {7,B} +5 *1 C u0 p0 c0 {2,S} {4,B} {6,B} +6 *2 C u0 p0 c0 {5,B} {8,B} {17,S} +7 C u0 p0 c0 {4,B} {9,B} {19,S} +8 C u0 p0 c0 {6,B} {9,B} {16,S} +9 C u0 p0 c0 {7,B} {8,B} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} -C4H3-2 +C9H11-14 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,T} -3 *2 C u1 p0 c0 {1,D} {6,S} -4 C u0 p0 c0 {2,T} {7,S} -5 *3 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {2,S} {9,D} +4 *2 C u1 p0 c0 {1,S} {7,S} {15,S} +5 C u0 p0 c0 {1,S} {6,D} {14,S} +6 C u0 p0 c0 {5,D} {8,S} {16,S} +7 C u0 p0 c0 {4,S} {8,D} {17,S} +8 C u0 p0 c0 {6,S} {7,D} {18,S} +9 C u0 p0 c0 {3,D} {19,S} {20,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {9,S} -C6H9-9 -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} -5 C u0 p0 c0 {2,S} {6,D} {14,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 *3 H u0 p0 c0 {3,S} +C9H10-9 +1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {9,D} +3 *1 C u0 p0 c0 {2,S} {4,B} {5,B} +4 C u0 p0 c0 {3,B} {6,B} {13,S} +5 *2 C u0 p0 c0 {3,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {8,B} {15,S} +7 C u0 p0 c0 {5,B} {8,B} {16,S} +8 C u0 p0 c0 {6,B} {7,B} {17,S} +9 C u0 p0 c0 {2,D} {18,S} {19,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C6H9-8 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -4 C u0 p0 c0 {2,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {13,S} -6 *2 C u1 p0 c0 {1,S} {14,S} {15,S} -7 *3 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} +C4H6 +1 *2 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 *1 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} -C6H9-3 +C6H9-6 multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {6,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,D} {12,S} -4 *1 C u0 p0 c0 {1,S} {6,D} {13,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 *2 C u1 p0 c0 {1,S} {4,S} {9,S} +3 *3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,S} {6,D} {11,S} 5 C u0 p0 c0 {3,D} {14,S} {15,S} -6 *2 C u1 p0 c0 {2,S} {4,D} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} - -C6H9-2 -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 *2 C u1 p0 c0 {2,S} {3,S} {13,S} -6 C u0 p0 c0 {4,D} {14,S} {15,S} +6 C u0 p0 c0 {4,D} {12,S} {13,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 *3 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} - -methylpentenyl -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {7,S} -2 *3 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {2,S} {6,D} {13,S} -5 *2 C u1 p0 c0 {1,S} {14,S} {15,S} -6 C u0 p0 c0 {4,D} {16,S} {17,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {6,S} C6H9-7 multiplicity 2 @@ -2859,426 +3317,216 @@ multiplicity 2 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {6,S} -C6H9-6 +C6H8-3 +1 *1 C u0 p0 c0 {2,D} {3,S} {8,S} +2 *2 C u0 p0 c0 {1,D} {4,S} {9,S} +3 C u0 p0 c0 {1,S} {5,D} {7,S} +4 C u0 p0 c0 {2,S} {6,D} {10,S} +5 C u0 p0 c0 {3,D} {11,S} {12,S} +6 C u0 p0 c0 {4,D} {13,S} {14,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {6,S} + +C6H9-8 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *2 C u1 p0 c0 {1,S} {4,S} {9,S} -3 *3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 C u0 p0 c0 {3,D} {14,S} {15,S} -6 C u0 p0 c0 {4,D} {12,S} {13,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} +3 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} +4 C u0 p0 c0 {2,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {13,S} +6 *2 C u1 p0 c0 {1,S} {14,S} {15,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} + +C6H8-4 +1 C u0 p0 c0 {3,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 *2 C u0 p0 c0 {3,D} {13,S} {14,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C6H9-5 +C6H9-9 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {4,D} {11,S} -4 C u0 p0 c0 {3,D} {12,S} {13,S} -5 C u0 p0 c0 {6,D} {14,S} {15,S} -6 *2 C u1 p0 c0 {2,S} {5,D} +1 C u0 p0 c0 {2,S} {4,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} +5 C u0 p0 c0 {2,S} {6,D} {14,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +12 *3 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} -C6H9-4 -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {7,S} {8,S} -2 *1 C u0 p0 c0 {5,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {1,S} {3,S} {6,D} -5 *2 C u1 p0 c0 {1,S} {2,S} {14,S} -6 C u0 p0 c0 {2,S} {4,D} {15,S} +C6H8-5 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} +3 *2 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 *1 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} 7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} - -C6H6-4 -1 C u0 p0 c0 {2,S} {3,S} {6,D} -2 *1 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 *2 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u0 p0 c0 {1,D} {11,S} {12,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C6H6-5 -1 C u0 p0 c0 {2,S} {3,S} {6,D} -2 *2 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 *1 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 C u0 p0 c0 {1,D} {11,S} {12,S} +C6H9-10 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} +5 C u0 p0 c0 {2,S} {6,D} {14,S} +6 C u0 p0 c0 {3,S} {5,D} {15,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} - -C6H6-2 -1 *1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 *2 C u0 p0 c0 {1,B} {5,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 C u0 p0 c0 {4,B} {5,B} {12,S} -7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} - -C6H6-3 -1 *1 C u0 p0 c0 {2,S} {3,S} {6,D} -2 C u0 p0 c0 {1,S} {4,D} {7,S} -3 C u0 p0 c0 {1,S} {5,D} {8,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 *2 C u0 p0 c0 {1,D} {11,S} {12,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {1,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} -C4H9 -multiplicity 2 -1 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {4,S} {11,S} {12,S} {13,S} -4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} +C6H8-6 +1 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} +2 C u0 p0 c0 {4,S} {6,S} {9,S} {10,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} +4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} +5 C u0 p0 c0 {1,S} {6,D} {13,S} +6 C u0 p0 c0 {2,S} {5,D} {14,S} 7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {1,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} - -H -multiplicity 2 -1 *3 H u1 p0 c0 - -C3H5O-6 -multiplicity 2 -1 *3 O u0 p2 c0 {2,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} -3 C u0 p0 c0 {4,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {2,S} {3,D} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} - -C3H5O-7 -multiplicity 2 -1 *3 O u0 p2 c0 {2,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {4,D} -3 *2 C u1 p0 c0 {2,S} {5,S} {6,S} -4 C u0 p0 c0 {2,D} {7,S} {8,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {1,S} - -C3H5O-4 -multiplicity 2 -1 *3 O u0 p2 c0 {3,S} {9,S} -2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -4 *2 C u1 p0 c0 {2,S} {3,D} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {1,S} - -C3H5O-5 -multiplicity 2 -1 *3 O u0 p2 c0 {3,S} {9,S} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} -4 *2 C u1 p0 c0 {3,D} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {1,S} - -C3H5O-2 -multiplicity 2 -1 O u0 p2 c0 {4,D} -2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} -3 *3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} -4 *2 C u1 p0 c0 {1,D} {2,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {3,S} - -C3H5O-3 -multiplicity 2 -1 O u0 p2 c0 {3,D} -2 *3 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} -4 *2 C u1 p0 c0 {3,S} {8,S} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} -C6H11 +C6H9-11 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 C u0 p0 c0 {1,S} {13,S} {14,S} {15,S} -5 *1 C u0 p0 c0 {1,S} {6,D} {16,S} -6 *2 C u1 p0 c0 {5,D} {17,S} -7 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} +3 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} +4 *2 C u1 p0 c0 {1,S} {6,S} {14,S} +5 C u0 p0 c0 {2,S} {6,D} {13,S} +6 C u0 p0 c0 {4,S} {5,D} {15,S} +7 H u0 p0 c0 {1,S} 8 H u0 p0 c0 {2,S} 9 H u0 p0 c0 {2,S} 10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {6,S} -C3H4 -1 *2 C u0 p0 c0 {3,D} {4,S} {5,S} -2 C u0 p0 c0 {3,D} {6,S} {7,S} -3 *1 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {1,S} +C4H4 +1 *2 C u0 p0 c0 {2,D} {3,S} {5,S} +2 *1 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {8,S} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} -C3H3 +C10H9-5 multiplicity 2 -1 *3 C u1 p0 c0 {2,S} {4,S} {5,S} -2 C u0 p0 c0 {1,S} {3,T} -3 C u0 p0 c0 {2,T} {6,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {3,S} - -C10H8-26 -1 C u0 p0 c0 {2,B} {3,S} {6,B} -2 C u0 p0 c0 {1,B} {5,S} {7,B} -3 C u0 p0 c0 {1,S} {4,S} {10,D} -4 *2 C u0 p0 c0 {3,S} {5,D} {11,S} -5 *1 C u0 p0 c0 {2,S} {4,D} {12,S} -6 C u0 p0 c0 {1,B} {8,B} {13,S} -7 C u0 p0 c0 {2,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {14,S} -9 C u0 p0 c0 {7,B} {8,B} {16,S} -10 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C10H8-25 -1 *2 C u0 p0 c0 {2,S} {4,D} {6,S} -2 C u0 p0 c0 {1,S} {5,D} {7,S} -3 C u0 p0 c0 {4,S} {5,S} {10,D} -4 *1 C u0 p0 c0 {1,D} {3,S} {11,S} -5 C u0 p0 c0 {2,D} {3,S} {12,S} -6 C u0 p0 c0 {1,S} {8,D} {13,S} -7 C u0 p0 c0 {2,S} {9,D} {14,S} -8 C u0 p0 c0 {6,D} {9,S} {15,S} -9 C u0 p0 c0 {7,D} {8,S} {16,S} -10 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C10H8-24 -1 C u0 p0 c0 {2,S} {4,D} {6,S} -2 C u0 p0 c0 {1,S} {5,D} {7,S} -3 *2 C u0 p0 c0 {4,S} {5,S} {10,D} -4 C u0 p0 c0 {1,D} {3,S} {11,S} -5 C u0 p0 c0 {2,D} {3,S} {13,S} -6 C u0 p0 c0 {1,S} {8,D} {12,S} -7 C u0 p0 c0 {2,S} {9,D} {15,S} -8 C u0 p0 c0 {6,D} {9,S} {14,S} -9 C u0 p0 c0 {7,D} {8,S} {16,S} -10 *1 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {8,S} +1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {6,B} {17,S} +4 C u0 p0 c0 {2,B} {7,B} {18,S} +5 C u0 p0 c0 {6,B} {7,B} {16,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {4,B} {5,B} {15,S} +8 *2 C u1 p0 c0 {1,S} {9,S} {13,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {8,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {10,S} -C10H8-23 -1 C u0 p0 c0 {2,B} {3,B} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {6,B} -3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} -4 C u0 p0 c0 {1,B} {9,B} {14,S} -5 C u0 p0 c0 {2,B} {8,B} {15,S} -6 C u0 p0 c0 {2,B} {10,B} {16,S} -7 *2 C u0 p0 c0 {3,B} {8,B} {12,S} -8 C u0 p0 c0 {5,B} {7,B} {13,S} -9 C u0 p0 c0 {4,B} {10,B} {17,S} -10 C u0 p0 c0 {6,B} {9,B} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {7,S} -13 H u0 p0 c0 {8,S} +C10H9-6 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {7,B} {16,S} +7 C u0 p0 c0 {5,B} {6,B} {17,S} +8 *2 C u1 p0 c0 {1,S} {9,S} {18,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {4,S} 15 H u0 p0 c0 {5,S} 16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} - -C10H8-22 -1 C u0 p0 c0 {2,S} {4,D} {6,S} -2 C u0 p0 c0 {1,S} {5,D} {7,S} -3 *1 C u0 p0 c0 {4,S} {5,S} {10,D} -4 C u0 p0 c0 {1,D} {3,S} {11,S} -5 C u0 p0 c0 {2,D} {3,S} {12,S} -6 C u0 p0 c0 {1,S} {8,D} {13,S} -7 C u0 p0 c0 {2,S} {9,D} {14,S} -8 C u0 p0 c0 {6,D} {9,S} {15,S} -9 C u0 p0 c0 {7,D} {8,S} {16,S} -10 *2 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C10H8-21 -1 *2 C u0 p0 c0 {2,S} {3,S} {9,D} -2 C u0 p0 c0 {1,S} {4,S} {10,D} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 C u0 p0 c0 {9,D} {15,S} {16,S} -8 C u0 p0 c0 {10,D} {17,S} {18,S} -9 *1 C u0 p0 c0 {1,D} {7,D} -10 C u0 p0 c0 {2,D} {8,D} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-5 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 *1 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} -C10H8-20 -1 C u0 p0 c0 {2,B} {3,S} {6,B} -2 C u0 p0 c0 {1,B} {5,S} {7,B} -3 C u0 p0 c0 {1,S} {4,S} {10,D} -4 *1 C u0 p0 c0 {3,S} {5,D} {11,S} -5 *2 C u0 p0 c0 {2,S} {4,D} {12,S} -6 C u0 p0 c0 {1,B} {8,B} {13,S} -7 C u0 p0 c0 {2,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {14,S} -9 C u0 p0 c0 {7,B} {8,B} {16,S} -10 C u0 p0 c0 {3,D} {17,S} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} -18 H u0 p0 c0 {10,S} - -C4H4-4 -1 *1 C u0 p0 c0 {2,D} {3,S} {5,S} -2 *2 C u0 p0 c0 {1,D} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {4,T} -4 C u0 p0 c0 {3,T} {8,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} - -C4H4-5 -1 *2 C u0 p0 c0 {2,S} {3,S} {4,D} -2 C u0 p0 c0 {1,S} {3,D} {5,S} -3 C u0 p0 c0 {1,S} {2,D} {6,S} -4 *1 C u0 p0 c0 {1,D} {7,S} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} - -C4H4-6 -1 C u0 p0 c0 {2,S} {3,S} {4,D} -2 *1 C u0 p0 c0 {1,S} {3,D} {5,S} -3 *2 C u0 p0 c0 {1,S} {2,D} {6,S} -4 C u0 p0 c0 {1,D} {7,S} {8,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {3,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {4,S} - -C4H4-7 -1 C u0 p0 c0 {3,D} {5,S} {6,S} -2 C u0 p0 c0 {4,D} {7,S} {8,S} -3 *1 C u0 p0 c0 {1,D} {4,D} -4 *2 C u0 p0 c0 {2,D} {3,D} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} - C4H4-2 1 C u0 p0 c0 {2,D} {3,S} {5,S} 2 C u0 p0 c0 {1,D} {6,S} {7,S} @@ -3289,6 +3537,28 @@ C4H4-2 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {4,S} +C10H9-7 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {8,S} {10,D} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {1,B} {7,B} {16,S} +5 C u0 p0 c0 {6,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {4,B} {5,B} {13,S} +8 C u0 p0 c0 {2,S} {9,D} {11,S} +9 C u0 p0 c0 {8,D} {17,S} {18,S} +10 *2 C u1 p0 c0 {2,D} {19,S} +11 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + C4H4-3 1 C u0 p0 c0 {2,D} {3,S} {5,S} 2 C u0 p0 c0 {1,D} {6,S} {7,S} @@ -3299,198 +3569,51 @@ C4H4-3 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {4,S} -CH2O -1 *2 O u0 p2 c0 {2,D} -2 *1 C u0 p0 c0 {1,D} {3,S} {4,S} -3 H u0 p0 c0 {2,S} -4 H u0 p0 c0 {2,S} - -C4H4-8 -1 *1 C u0 p0 c0 {3,D} {5,S} {6,S} -2 C u0 p0 c0 {4,D} {7,S} {8,S} -3 *2 C u0 p0 c0 {1,D} {4,D} -4 C u0 p0 c0 {2,D} {3,D} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} - -C10H9-24 +C10H9-8 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *2 C u1 p0 c0 {1,S} {3,S} {5,S} -3 C u0 p0 c0 {2,S} {4,B} {8,B} -4 C u0 p0 c0 {3,B} {6,B} {7,S} -5 C u0 p0 c0 {2,S} {7,D} {19,S} -6 C u0 p0 c0 {4,B} {9,B} {14,S} -7 C u0 p0 c0 {4,S} {5,D} {17,S} -8 C u0 p0 c0 {3,B} {10,B} {18,S} -9 C u0 p0 c0 {6,B} {10,B} {15,S} -10 C u0 p0 c0 {8,B} {9,B} {16,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 *3 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {9,S} -16 H u0 p0 c0 {10,S} +1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {5,B} {14,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {5,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {4,B} {11,S} +6 C u0 p0 c0 {3,B} {4,B} {12,S} +7 *1 C u0 p0 c0 {1,S} {10,D} {17,S} +8 C u0 p0 c0 {9,D} {10,S} {16,S} +9 C u0 p0 c0 {8,D} {18,S} {19,S} +10 *2 C u1 p0 c0 {7,D} {8,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {5,S} - -C9H8-3 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {5,S} {7,B} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {13,S} -6 *1 C u0 p0 c0 {2,B} {8,B} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {15,S} -8 C u0 p0 c0 {6,B} {9,B} {17,S} -9 C u0 p0 c0 {7,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {8,S} - -C9H8-2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {6,D} -3 C u0 p0 c0 {1,S} {7,D} {11,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {15,S} -6 C u0 p0 c0 {2,D} {8,S} {16,S} -7 C u0 p0 c0 {3,D} {9,S} {14,S} -8 *2 C u0 p0 c0 {4,D} {6,S} {17,S} -9 C u0 p0 c0 {5,D} {7,S} {13,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {9,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} - -C9H8-5 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {5,S} {7,B} -4 *2 C u0 p0 c0 {1,S} {5,D} {12,S} -5 *1 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-4 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {3,B} {6,B} -3 *2 C u0 p0 c0 {2,B} {5,S} {7,B} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-7 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 *1 C u0 p0 c0 {2,B} {5,S} {7,B} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-6 -1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {6,B} -3 C u0 p0 c0 {2,B} {5,S} {7,B} -4 *1 C u0 p0 c0 {1,S} {5,D} {12,S} -5 *2 C u0 p0 c0 {3,S} {4,D} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {3,B} {8,B} {13,S} -8 C u0 p0 c0 {7,B} {9,B} {15,S} -9 C u0 p0 c0 {6,B} {8,B} {16,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {6,S} - -C9H8-9 -1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {1,S} {9,T} -9 *2 C u0 p0 c0 {2,S} {8,T} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} -C9H8-8 -1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,B} {9,S} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {7,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {17,S} -7 C u0 p0 c0 {4,B} {6,B} {16,S} -8 *2 C u0 p0 c0 {1,S} {9,T} -9 *1 C u0 p0 c0 {2,S} {8,T} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} +C10H9-9 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} +10 *2 C u1 p0 c0 {9,D} {19,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {8,S} +18 *3 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} -C10H9-11 -multiplicity 2 +C10H8-6 1 C u0 p0 c0 {2,B} {3,B} {4,S} 2 C u0 p0 c0 {1,B} {5,B} {12,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} @@ -3498,9 +3621,9 @@ multiplicity 2 5 C u0 p0 c0 {2,B} {7,B} {14,S} 6 C u0 p0 c0 {3,B} {7,B} {15,S} 7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {10,S} {17,S} -9 *1 C u0 p0 c0 {10,D} {18,S} {19,S} -10 *2 C u1 p0 c0 {8,S} {9,D} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *1 C u0 p0 c0 {8,S} {10,T} +10 *2 C u0 p0 c0 {9,T} {18,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} @@ -3508,8 +3631,7 @@ multiplicity 2 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 *3 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} C10H9-10 multiplicity 2 @@ -3533,6 +3655,120 @@ multiplicity 2 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {10,S} +C10H8-7 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 *2 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {4,D} {9,S} {17,S} +9 C u0 p0 c0 {8,S} {10,T} +10 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} + +C10H9-11 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 C u0 p0 c0 {4,D} {10,S} {17,S} +9 *1 C u0 p0 c0 {10,D} {18,S} {19,S} +10 *2 C u1 p0 c0 {8,S} {9,D} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 *3 H u0 p0 c0 {9,S} + +C10H8-8 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {12,S} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,S} {8,D} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {7,B} {15,S} +7 C u0 p0 c0 {5,B} {6,B} {16,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *2 C u0 p0 c0 {8,S} {10,T} +10 *1 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} + +C4H4-4 +1 *1 C u0 p0 c0 {2,D} {3,S} {5,S} +2 *2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {8,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} + +C10H9-12 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {6,B} {7,B} {14,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 C u0 p0 c0 {4,B} {5,B} {13,S} +8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} +9 C u0 p0 c0 {1,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-9 +1 *2 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {8,B} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {13,S} +6 C u0 p0 c0 {2,B} {10,B} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {15,S} +8 C u0 p0 c0 {4,B} {10,B} {16,S} +9 C u0 p0 c0 {5,B} {7,B} {17,S} +10 C u0 p0 c0 {6,B} {8,B} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + C10H9-13 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} @@ -3555,27 +3791,67 @@ multiplicity 2 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {10,S} -C10H9-12 +C10H8-10 +1 *1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 *2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {8,B} {12,S} +5 C u0 p0 c0 {2,B} {9,B} {13,S} +6 C u0 p0 c0 {2,B} {10,B} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {15,S} +8 C u0 p0 c0 {4,B} {10,B} {16,S} +9 C u0 p0 c0 {5,B} {7,B} {17,S} +10 C u0 p0 c0 {6,B} {8,B} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + +C10H9-14 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {6,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 C u0 p0 c0 {4,B} {5,B} {13,S} -8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} -9 C u0 p0 c0 {1,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {7,D} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,S} {9,D} {14,S} +6 C u0 p0 c0 {2,S} {10,D} {15,S} +7 C u0 p0 c0 {3,D} {9,S} {16,S} +8 C u0 p0 c0 {4,D} {10,S} {17,S} +9 C u0 p0 c0 {5,D} {7,S} {18,S} +10 C u0 p0 c0 {6,D} {8,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-11 +1 C u0 p0 c0 {2,B} {3,B} {9,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {8,D} {10,S} {16,S} +8 C u0 p0 c0 {7,D} {17,S} {18,S} +9 *1 C u0 p0 c0 {1,S} {10,T} +10 *2 C u0 p0 c0 {7,S} {9,T} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} C10H9-15 multiplicity 2 @@ -3599,27 +3875,67 @@ multiplicity 2 18 H u0 p0 c0 {9,S} 19 H u0 p0 c0 {9,S} -C10H9-14 +C10H8-12 +1 C u0 p0 c0 {2,B} {3,B} {9,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {8,D} {10,S} {16,S} +8 C u0 p0 c0 {7,D} {17,S} {18,S} +9 *2 C u0 p0 c0 {1,S} {10,T} +10 *1 C u0 p0 c0 {7,S} {9,T} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} + +C10H9-16 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {1,S} {7,D} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,S} {9,D} {14,S} -6 C u0 p0 c0 {2,S} {10,D} {15,S} -7 C u0 p0 c0 {3,D} {9,S} {16,S} -8 C u0 p0 c0 {4,D} {10,S} {17,S} -9 C u0 p0 c0 {5,D} {7,S} {18,S} -10 C u0 p0 c0 {6,D} {8,S} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} +1 C u0 p0 c0 {2,B} {3,B} {10,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {8,S} {9,D} {16,S} +8 *1 C u0 p0 c0 {7,S} {10,D} {17,S} +9 C u0 p0 c0 {7,D} {18,S} {19,S} +10 *2 C u1 p0 c0 {1,S} {8,D} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +17 *3 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {9,S} + +C10H8-13 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {11,S} +3 C u0 p0 c0 {1,B} {6,B} {15,S} +4 C u0 p0 c0 {2,B} {5,B} {12,S} +5 C u0 p0 c0 {4,B} {6,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {1,S} {9,D} {16,S} +8 *2 C u0 p0 c0 {10,D} {17,S} {18,S} +9 C u0 p0 c0 {7,D} {10,D} +10 *1 C u0 p0 c0 {8,D} {9,D} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} C10H9-17 multiplicity 2 @@ -3643,49 +3959,25 @@ multiplicity 2 18 H u0 p0 c0 {9,S} 19 H u0 p0 c0 {9,S} -C10H9-16 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {10,S} +C10H8-14 +1 C u0 p0 c0 {2,B} {3,B} {7,S} 2 C u0 p0 c0 {1,B} {4,B} {11,S} 3 C u0 p0 c0 {1,B} {6,B} {15,S} 4 C u0 p0 c0 {2,B} {5,B} {12,S} 5 C u0 p0 c0 {4,B} {6,B} {13,S} 6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {8,S} {9,D} {16,S} -8 *1 C u0 p0 c0 {7,S} {10,D} {17,S} -9 C u0 p0 c0 {7,D} {18,S} {19,S} -10 *2 C u1 p0 c0 {1,S} {8,D} +7 *2 C u0 p0 c0 {1,S} {9,D} {16,S} +8 C u0 p0 c0 {10,D} {17,S} {18,S} +9 *1 C u0 p0 c0 {7,D} {10,D} +10 C u0 p0 c0 {8,D} {9,D} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {7,S} -17 *3 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C10H9-19 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {5,B} {7,B} {14,S} -7 C u0 p0 c0 {4,B} {6,B} {15,S} -8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} -9 C u0 p0 c0 {1,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} C10H9-18 multiplicity 2 @@ -3700,585 +3992,227 @@ multiplicity 2 9 C u0 p0 c0 {10,D} {18,S} {19,S} 10 C u0 p0 c0 {8,D} {9,D} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 *3 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C2H4 -1 *1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} - -C2H3 -multiplicity 2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 *3 C u1 p0 c0 {1,D} {5,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {2,S} - -C2H2 -1 *1 C u0 p0 c0 {2,T} {3,S} -2 *2 C u0 p0 c0 {1,T} {4,S} -3 H u0 p0 c0 {1,S} -4 H u0 p0 c0 {2,S} - -C3H5O -multiplicity 2 -1 O u0 p2 c0 {3,D} -2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -3 C u0 p0 c0 {1,D} {2,S} {4,S} -4 *3 C u1 p0 c0 {3,S} {8,S} {9,S} -5 H u0 p0 c0 {2,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} - -C9H10 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *2 C u0 p0 c0 {1,S} {9,D} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {8,B} {16,S} -6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 C u0 p0 c0 {6,B} {8,B} {15,S} -8 C u0 p0 c0 {5,B} {7,B} {17,S} -9 *1 C u0 p0 c0 {3,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} - -C9H11 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -3 *3 C u0 p0 c0 {1,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} -5 C u0 p0 c0 {3,B} {8,B} {19,S} -6 C u0 p0 c0 {3,B} {9,B} {20,S} -7 C u0 p0 c0 {8,B} {9,B} {17,S} -8 C u0 p0 c0 {5,B} {7,B} {16,S} -9 C u0 p0 c0 {6,B} {7,B} {18,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} - -C7H9-14 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 *3 C u0 p0 c0 {1,S} {8,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-15 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {7,D} -4 *2 C u1 p0 c0 {2,S} {6,S} {12,S} -5 C u0 p0 c0 {3,S} {6,D} {13,S} -6 C u0 p0 c0 {4,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-16 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,S} {7,D} -4 *2 C u1 p0 c0 {1,S} {6,S} {12,S} -5 C u0 p0 c0 {3,S} {6,D} {13,S} -6 C u0 p0 c0 {4,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-17 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {6,S} {7,D} -4 *2 C u1 p0 c0 {1,S} {3,S} {12,S} -5 C u0 p0 c0 {1,S} {6,D} {13,S} -6 C u0 p0 c0 {3,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-10 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {6,D} {12,S} -4 C u0 p0 c0 {2,S} {5,D} {11,S} -5 C u0 p0 c0 {4,D} {6,S} {14,S} -6 C u0 p0 c0 {3,D} {5,S} {13,S} -7 *2 C u1 p0 c0 {1,S} {15,S} {16,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-11 -multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {6,S} {7,D} -4 *2 C u1 p0 c0 {2,S} {3,S} {13,S} -5 C u0 p0 c0 {1,S} {6,D} {12,S} -6 C u0 p0 c0 {3,S} {5,D} {14,S} -7 C u0 p0 c0 {3,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C7H9-12 -multiplicity 2 -1 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {2,S} {6,S} {13,S} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {4,D} {7,S} {16,S} -6 C u0 p0 c0 {3,S} {7,D} {14,S} -7 C u0 p0 c0 {5,S} {6,D} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} - -C7H9-13 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 *2 C u1 p0 c0 {1,S} {6,S} {12,S} -4 C u0 p0 c0 {2,S} {6,D} {11,S} -5 *3 C u0 p0 c0 {1,S} {7,D} {13,S} -6 C u0 p0 c0 {3,S} {4,D} {14,S} -7 C u0 p0 c0 {5,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} - -C10H10-16 -multiplicity 3 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} -2 C u0 p0 c0 {3,S} {5,S} {12,S} {13,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -4 C u0 p0 c0 {1,S} {5,S} {10,D} -5 C u1 p0 c0 {2,S} {4,S} {14,S} -6 C u0 p0 c0 {1,S} {8,D} {15,S} -7 C u0 p0 c0 {3,S} {9,D} {17,S} -8 C u0 p0 c0 {6,D} {9,S} {16,S} -9 C u0 p0 c0 {7,D} {8,S} {18,S} -10 C u0 p0 c0 {4,D} {19,S} {20,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} - -C10H10-14 -1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {5,D} {13,S} -3 C u0 p0 c0 {1,B} {6,B} {14,S} -4 C u0 p0 c0 {1,B} {7,B} {15,S} -5 *2 C u0 p0 c0 {2,D} {9,S} {12,S} -6 C u0 p0 c0 {3,B} {8,B} {16,S} -7 C u0 p0 c0 {4,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 C u0 p0 c0 {5,S} {10,D} {11,S} -10 C u0 p0 c0 {9,D} {19,S} {20,S} -11 H u0 p0 c0 {9,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} - -C10H10-12 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} -2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {4,B} {6,B} -4 C u0 p0 c0 {3,B} {7,S} {8,B} -5 *2 C u0 p0 c0 {1,S} {7,D} {15,S} -6 C u0 p0 c0 {3,B} {10,B} {17,S} -7 *1 C u0 p0 c0 {4,S} {5,D} {20,S} -8 C u0 p0 c0 {4,B} {9,B} {16,S} -9 C u0 p0 c0 {8,B} {10,B} {18,S} -10 C u0 p0 c0 {6,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {7,S} - -C10H10-13 -1 C u0 p0 c0 {3,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} -3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} -4 C u0 p0 c0 {1,S} {5,B} {7,B} -5 C u0 p0 c0 {4,B} {6,S} {8,B} -6 *2 C u0 p0 c0 {3,D} {5,S} {20,S} -7 C u0 p0 c0 {4,B} {9,B} {16,S} -8 C u0 p0 c0 {5,B} {10,B} {17,S} -9 C u0 p0 c0 {7,B} {10,B} {18,S} -10 C u0 p0 c0 {8,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {6,S} - -C10H10-10 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {11,S} -3 C u0 p0 c0 {1,B} {7,B} {12,S} -4 C u0 p0 c0 {1,S} {8,D} {13,S} -5 C u0 p0 c0 {2,B} {6,B} {14,S} -6 C u0 p0 c0 {5,B} {7,B} {16,S} -7 C u0 p0 c0 {3,B} {6,B} {15,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *2 C u0 p0 c0 {8,S} {10,D} {18,S} -10 *1 C u0 p0 c0 {9,D} {19,S} {20,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {10,S} - -C10H10-11 -1 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {5,B} {7,B} -4 *1 C u0 p0 c0 {2,S} {5,S} {6,D} -5 C u0 p0 c0 {3,B} {4,S} {8,B} -6 *2 C u0 p0 c0 {1,S} {4,D} {16,S} -7 C u0 p0 c0 {3,B} {9,B} {17,S} -8 C u0 p0 c0 {5,B} {10,B} {18,S} -9 C u0 p0 c0 {7,B} {10,B} {19,S} -10 C u0 p0 c0 {8,B} {9,B} {20,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {10,S} - -C8H7-4 -multiplicity 2 -1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {5,B} {6,B} {11,S} -5 C u0 p0 c0 {2,B} {4,B} {9,S} -6 C u0 p0 c0 {3,B} {4,B} {10,S} -7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} -8 *2 C u1 p0 c0 {7,D} {15,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {6,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {8,S} - -C8H5 -multiplicity 2 -1 C u0 p0 c0 {3,B} {6,B} {7,S} -2 C u0 p0 c0 {3,B} {4,B} {10,S} -3 C u0 p0 c0 {1,B} {2,B} {11,S} -4 C u0 p0 c0 {2,B} {5,B} {9,S} -5 C u0 p0 c0 {4,B} {6,B} {12,S} -6 *3 C u1 p0 c0 {1,B} {5,B} -7 C u0 p0 c0 {1,S} {8,T} -8 C u0 p0 c0 {7,T} {13,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {8,S} - -butene2 -1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {4,S} {8,S} {9,S} {10,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {11,S} -4 *2 C u0 p0 c0 {2,S} {3,D} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} - -C8H6 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {9,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {2,B} {5,B} {10,S} -5 C u0 p0 c0 {4,B} {6,B} {11,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 *1 C u0 p0 c0 {1,S} {8,T} -8 *2 C u0 p0 c0 {7,T} {14,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {8,S} - -C8H8 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {10,S} -3 C u0 p0 c0 {1,B} {7,B} {14,S} -4 *2 C u0 p0 c0 {1,S} {8,D} {9,S} -5 C u0 p0 c0 {2,B} {6,B} {11,S} -6 C u0 p0 c0 {5,B} {7,B} {12,S} -7 C u0 p0 c0 {3,B} {6,B} {13,S} -8 *1 C u0 p0 c0 {4,D} {15,S} {16,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 *3 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +C10H8-15 +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {8,D} {9,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {1,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 *2 C u0 p0 c0 {2,D} {16,S} {17,S} +9 C u0 p0 c0 {2,S} {10,T} +10 C u0 p0 c0 {9,T} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {10,S} -C9H10-3 -1 C u0 p0 c0 {2,S} {10,S} {11,S} {12,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {9,D} -3 C u0 p0 c0 {2,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {13,S} -5 C u0 p0 c0 {3,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 *2 C u0 p0 c0 {2,D} {18,S} {19,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} +C10H9-19 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {8,S} {9,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *2 C u1 p0 c0 {1,S} {17,S} {18,S} +9 C u0 p0 c0 {1,S} {10,T} +10 C u0 p0 c0 {9,T} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H10-10 +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {5,B} {11,S} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {1,S} {8,D} {13,S} +5 C u0 p0 c0 {2,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {16,S} +7 C u0 p0 c0 {3,B} {6,B} {15,S} +8 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *2 C u0 p0 c0 {8,S} {10,D} {18,S} +10 *1 C u0 p0 c0 {9,D} {19,S} {20,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} -C9H10-2 -1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 C u0 p0 c0 {4,S} {5,B} {6,B} -3 *2 C u0 p0 c0 {1,S} {4,D} {13,S} -4 *1 C u0 p0 c0 {2,S} {3,D} {18,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {2,B} {9,B} {17,S} -7 C u0 p0 c0 {5,B} {8,B} {15,S} -8 C u0 p0 c0 {7,B} {9,B} {16,S} -9 C u0 p0 c0 {6,B} {8,B} {19,S} -10 H u0 p0 c0 {1,S} +C10H11-15 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {11,S} {12,S} {13,S} +2 C u0 p0 c0 {4,B} {5,B} {6,S} +3 *2 C u1 p0 c0 {1,S} {7,S} {14,S} +4 C u0 p0 c0 {2,B} {8,B} {15,S} +5 C u0 p0 c0 {2,B} {10,B} {16,S} +6 C u0 p0 c0 {2,S} {7,D} {17,S} +7 C u0 p0 c0 {3,S} {6,D} {21,S} +8 C u0 p0 c0 {4,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {20,S} +10 C u0 p0 c0 {5,B} {9,B} {19,S} 11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {5,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {7,S} -C9H9-8 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {6,B} -4 C u0 p0 c0 {3,B} {5,S} {7,B} -5 *2 C u1 p0 c0 {2,S} {4,S} {14,S} -6 C u0 p0 c0 {3,B} {9,B} {18,S} -7 C u0 p0 c0 {4,B} {8,B} {15,S} -8 C u0 p0 c0 {7,B} {9,B} {16,S} -9 C u0 p0 c0 {6,B} {8,B} {17,S} +C9H8-3 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {5,S} {7,B} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {13,S} +6 *1 C u0 p0 c0 {2,B} {8,B} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {17,S} +9 C u0 p0 c0 {7,B} {8,B} {16,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {8,S} + +C10H11-16 +multiplicity 2 +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {4,S} {7,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 *2 C u1 p0 c0 {1,S} {2,S} {5,S} +5 C u0 p0 c0 {4,S} {8,S} {9,D} +6 C u0 p0 c0 {1,S} {10,D} {18,S} +7 C u0 p0 c0 {2,S} {8,D} {17,S} +8 C u0 p0 c0 {5,S} {7,D} {19,S} +9 C u0 p0 c0 {5,D} {10,S} {20,S} +10 C u0 p0 c0 {6,D} {9,S} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C9H9-9 +C7H9-27 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} -2 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} -4 C u0 p0 c0 {1,S} {6,D} {15,S} -5 C u0 p0 c0 {1,S} {8,D} {14,S} -6 C u0 p0 c0 {2,S} {4,D} {13,S} -7 C u0 p0 c0 {3,S} {9,D} {18,S} -8 C u0 p0 c0 {5,D} {9,S} {16,S} -9 C u0 p0 c0 {7,D} {8,S} {17,S} -10 *3 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} +4 C u0 p0 c0 {1,S} {6,D} {13,S} +5 C u0 p0 c0 {3,S} {7,D} {16,S} +6 C u0 p0 c0 {4,D} {7,S} {14,S} +7 C u0 p0 c0 {5,D} {6,S} {15,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} -C9H10-5 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 *1 C u0 p0 c0 {2,S} {5,B} {6,B} -5 C u0 p0 c0 {3,S} {4,B} {7,B} -6 *2 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {9,B} {19,S} -8 C u0 p0 c0 {6,B} {9,B} {17,S} -9 C u0 p0 c0 {7,B} {8,B} {18,S} +C9H9 +multiplicity 2 +1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {3,B} {4,B} {8,S} +3 C u0 p0 c0 {2,B} {6,B} {16,S} +4 C u0 p0 c0 {2,B} {7,B} {17,S} +5 C u0 p0 c0 {6,B} {7,B} {13,S} +6 C u0 p0 c0 {3,B} {5,B} {14,S} +7 C u0 p0 c0 {4,B} {5,B} {15,S} +8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {8,S} -C9H10-4 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {4,B} {5,B} -3 *1 C u0 p0 c0 {1,S} {9,D} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {8,B} {15,S} -7 C u0 p0 c0 {5,B} {8,B} {16,S} -8 C u0 p0 c0 {6,B} {7,B} {17,S} -9 *2 C u0 p0 c0 {3,D} {18,S} {19,S} +C9H9-2 +multiplicity 2 +1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {3,S} {4,B} {5,B} +3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {2,B} {8,B} {17,S} +6 C u0 p0 c0 {7,B} {8,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 C u0 p0 c0 {5,B} {6,B} {15,S} +9 *2 C u1 p0 c0 {3,D} {18,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} + +C9H9-3 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {8,S} {9,D} +3 C u0 p0 c0 {1,B} {6,B} {13,S} +4 C u0 p0 c0 {1,B} {7,B} {14,S} +5 C u0 p0 c0 {6,B} {7,B} {10,S} +6 C u0 p0 c0 {3,B} {5,B} {11,S} +7 C u0 p0 c0 {4,B} {5,B} {12,S} +8 *2 C u1 p0 c0 {2,S} {15,S} {16,S} +9 C u0 p0 c0 {2,D} {17,S} {18,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} C9H9-4 multiplicity 2 @@ -4322,6 +4256,25 @@ multiplicity 2 17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {9,S} +C9H8-4 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {3,B} {6,B} +3 *2 C u0 p0 c0 {2,B} {5,S} {7,B} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} + C9H9-6 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} @@ -4343,6 +4296,25 @@ multiplicity 2 17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {8,S} +C9H8-5 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {5,S} {7,B} +4 *2 C u0 p0 c0 {1,S} {5,D} {12,S} +5 *1 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} + C9H9-7 multiplicity 2 1 C u0 p0 c0 {3,S} {5,S} {10,S} {11,S} @@ -4364,895 +4336,793 @@ multiplicity 2 17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {6,S} -C9H9-2 -multiplicity 2 -1 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {3,S} {4,B} {5,B} -3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} -4 C u0 p0 c0 {2,B} {7,B} {16,S} -5 C u0 p0 c0 {2,B} {8,B} {17,S} -6 C u0 p0 c0 {7,B} {8,B} {13,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 C u0 p0 c0 {5,B} {6,B} {15,S} -9 *2 C u1 p0 c0 {3,D} {18,S} +C9H8-6 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {5,S} {7,B} +4 *1 C u0 p0 c0 {1,S} {5,D} {12,S} +5 *2 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} 10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} -C9H9-3 +C9H9-8 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {8,S} {9,D} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,B} {7,B} {14,S} -5 C u0 p0 c0 {6,B} {7,B} {10,S} -6 C u0 p0 c0 {3,B} {5,B} {11,S} -7 C u0 p0 c0 {4,B} {5,B} {12,S} -8 *2 C u1 p0 c0 {2,S} {15,S} {16,S} -9 C u0 p0 c0 {2,D} {17,S} {18,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {7,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {8,S} +1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,S} {7,B} +5 *2 C u1 p0 c0 {2,S} {4,S} {14,S} +6 C u0 p0 c0 {3,B} {9,B} {18,S} +7 C u0 p0 c0 {4,B} {8,B} {15,S} +8 C u0 p0 c0 {7,B} {9,B} {16,S} +9 C u0 p0 c0 {6,B} {8,B} {17,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} - -SO2 -1 *2 S u0 p1 c0 {2,D} {3,D} -2 *1 O u0 p2 c0 {1,D} -3 O u0 p2 c0 {1,D} - -C10H9-28 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,B} {5,B} -3 C u0 p0 c0 {2,B} {6,S} {7,B} -4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} -5 C u0 p0 c0 {2,B} {9,B} {15,S} -6 C u0 p0 c0 {3,S} {8,D} {16,S} -7 C u0 p0 c0 {3,B} {10,B} {17,S} -8 C u0 p0 c0 {4,S} {6,D} {14,S} -9 C u0 p0 c0 {5,B} {10,B} {18,S} -10 C u0 p0 c0 {7,B} {9,B} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {6,S} -C10H9-29 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} -3 C u0 p0 c0 {4,S} {5,D} {7,S} -4 C u0 p0 c0 {3,S} {6,D} {8,S} -5 C u0 p0 c0 {2,S} {3,D} {14,S} -6 C u0 p0 c0 {2,S} {4,D} {16,S} -7 C u0 p0 c0 {3,S} {9,D} {15,S} -8 C u0 p0 c0 {4,S} {10,D} {18,S} -9 C u0 p0 c0 {7,D} {10,S} {17,S} -10 C u0 p0 c0 {8,D} {9,S} {19,S} +C9H8-7 +1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 *1 C u0 p0 c0 {2,B} {5,S} {7,B} +4 C u0 p0 c0 {1,S} {5,D} {12,S} +5 C u0 p0 c0 {3,S} {4,D} {14,S} +6 C u0 p0 c0 {2,B} {9,B} {17,S} +7 C u0 p0 c0 {3,B} {8,B} {13,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {16,S} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {6,S} -C10H9-20 +C9H9-9 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 *3 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {5,B} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {15,S} -5 C u0 p0 c0 {3,B} {6,B} {13,S} -6 C u0 p0 c0 {4,B} {5,B} {11,S} -7 C u0 p0 c0 {1,S} {9,D} {14,S} -8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} -9 C u0 p0 c0 {7,D} {17,S} {18,S} -10 *2 C u1 p0 c0 {8,D} {19,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {10,S} +2 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +4 C u0 p0 c0 {1,S} {6,D} {15,S} +5 C u0 p0 c0 {1,S} {8,D} {14,S} +6 C u0 p0 c0 {2,S} {4,D} {13,S} +7 C u0 p0 c0 {3,S} {9,D} {18,S} +8 C u0 p0 c0 {5,D} {9,S} {16,S} +9 C u0 p0 c0 {7,D} {8,S} {17,S} +10 *3 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {7,S} -C10H9-21 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {3,B} {4,S} {7,B} -3 C u0 p0 c0 {2,B} {6,S} {8,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} -5 C u0 p0 c0 {1,S} {6,D} {14,S} -6 C u0 p0 c0 {3,S} {5,D} {16,S} -7 C u0 p0 c0 {2,B} {9,B} {15,S} -8 C u0 p0 c0 {3,B} {10,B} {18,S} -9 C u0 p0 c0 {7,B} {10,B} {17,S} -10 C u0 p0 c0 {8,B} {9,B} {19,S} +C9H8-8 +1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *2 C u0 p0 c0 {1,S} {9,T} +9 *1 C u0 p0 c0 {2,S} {8,T} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} - -C10H9-22 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {3,B} {5,B} -3 C u0 p0 c0 {2,B} {6,S} {7,B} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {2,B} {8,B} {13,S} -6 C u0 p0 c0 {3,S} {4,D} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {16,S} -8 C u0 p0 c0 {5,B} {9,B} {15,S} -9 C u0 p0 c0 {7,B} {8,B} {17,S} -10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {6,S} -C10H9-23 +C9H9-10 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {5,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {7,B} {12,S} -4 C u0 p0 c0 {2,B} {6,B} {11,S} -5 C u0 p0 c0 {1,S} {9,D} {13,S} -6 C u0 p0 c0 {4,B} {7,B} {14,S} -7 C u0 p0 c0 {3,B} {6,B} {15,S} -8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} -9 C u0 p0 c0 {5,D} {17,S} {18,S} -10 *2 C u1 p0 c0 {8,D} {19,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 *3 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {8,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {2,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} +18 *3 H u0 p0 c0 {8,S} -C12H17-1 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {15,S} {16,S} -2 *3 C u0 p0 c0 {1,S} {4,S} {17,S} {18,S} -3 C u0 p0 c0 {1,S} {5,S} {13,S} {14,S} -4 *1 C u0 p0 c0 {2,S} {7,S} {19,S} {20,S} -5 C u0 p0 c0 {3,S} {21,S} {22,S} {23,S} -6 C u0 p0 c0 {7,S} {8,B} {9,B} -7 *2 C u1 p0 c0 {4,S} {6,S} {24,S} -8 C u0 p0 c0 {6,B} {10,B} {25,S} -9 C u0 p0 c0 {6,B} {12,B} {29,S} -10 C u0 p0 c0 {8,B} {11,B} {26,S} -11 C u0 p0 c0 {10,B} {12,B} {27,S} -12 C u0 p0 c0 {9,B} {11,B} {28,S} +C9H8-9 +1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {1,S} {9,T} +9 *2 C u0 p0 c0 {2,S} {8,T} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {11,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} -C10H9-25 +C9H9-11 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,S} {10,D} -3 C u0 p0 c0 {2,S} {4,B} {6,B} -4 C u0 p0 c0 {3,B} {5,S} {7,B} -5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} -6 C u0 p0 c0 {3,B} {8,B} {14,S} -7 C u0 p0 c0 {4,B} {9,B} {16,S} -8 C u0 p0 c0 {6,B} {9,B} {15,S} -9 C u0 p0 c0 {7,B} {8,B} {17,S} -10 C u0 p0 c0 {2,D} {18,S} {19,S} +1 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {17,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {2,S} {8,D} +10 H u0 p0 c0 {1,S} 11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {8,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {6,S} +18 *3 H u0 p0 c0 {8,S} -C10H9-26 -multiplicity 2 -1 *2 C u0 p0 c0 {2,B} {3,B} {7,S} +C9H8-10 +1 C u0 p0 c0 {2,B} {3,B} {7,S} 2 C u0 p0 c0 {1,B} {4,B} {10,S} 3 C u0 p0 c0 {1,B} {5,B} {11,S} 4 C u0 p0 c0 {2,B} {6,B} {12,S} 5 C u0 p0 c0 {3,B} {6,B} {13,S} 6 C u0 p0 c0 {4,B} {5,B} {14,S} -7 *1 C u0 p0 c0 {1,S} {8,D} {15,S} -8 C u0 p0 c0 {7,D} {16,S} {17,S} -9 C u0 p0 c0 {10,D} {18,S} {19,S} -10 C u1 p0 c0 {2,S} {9,D} +7 C u0 p0 c0 {1,S} {9,D} {15,S} +8 *1 C u0 p0 c0 {9,D} {16,S} {17,S} +9 *2 C u0 p0 c0 {7,D} {8,D} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} -15 *3 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} -C10H9-27 +C9H9-12 multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {3,S} {4,D} {6,S} -3 C u0 p0 c0 {2,S} {5,D} {7,S} -4 C u0 p0 c0 {1,S} {2,D} {12,S} -5 C u0 p0 c0 {1,S} {3,D} {13,S} -6 C u0 p0 c0 {2,S} {8,D} {14,S} -7 C u0 p0 c0 {3,S} {9,D} {15,S} -8 C u0 p0 c0 {6,D} {9,S} {16,S} -9 C u0 p0 c0 {7,D} {8,S} {17,S} -10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} -11 *3 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {9,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {8,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {7,B} {15,S} +6 C u0 p0 c0 {4,B} {7,B} {16,S} +7 C u0 p0 c0 {5,B} {6,B} {17,S} +8 C u0 p0 c0 {2,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} + +C9H8-11 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {14,S} +7 *2 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {9,D} {16,S} {17,S} +9 *1 C u0 p0 c0 {7,D} {8,D} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -19 H u0 p0 c0 {10,S} - -C2H3O3 -multiplicity 2 -1 *3 O u0 p2 c0 {2,S} {4,S} -2 O u0 p2 c0 {1,S} {8,S} -3 O u0 p2 c0 {4,D} -4 *1 C u0 p0 c0 {1,S} {3,D} {5,S} -5 *2 C u1 p0 c0 {4,S} {6,S} {7,S} -6 H u0 p0 c0 {5,S} -7 H u0 p0 c0 {5,S} -8 H u0 p0 c0 {2,S} - -NNH -multiplicity 2 -1 *1 N u0 p1 c0 {2,D} {3,S} -2 *2 N u1 p1 c0 {1,D} -3 *3 H u0 p0 c0 {1,S} - -pent1en5yl -multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {8,S} {9,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 *2 C u1 p0 c0 {2,S} {11,S} {12,S} -5 C u0 p0 c0 {3,D} {13,S} {14,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {5,S} - -OH -multiplicity 2 -1 *3 O u1 p2 c0 {2,S} -2 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {8,S} -C10H7-7 +C9H9-13 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,S} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {8,S} -3 C u0 p0 c0 {1,S} {9,D} {10,S} +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *2 C u1 p0 c0 {1,S} {8,S} {15,S} +3 C u0 p0 c0 {1,B} {5,B} {10,S} 4 C u0 p0 c0 {1,B} {6,B} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {7,B} {12,S} -7 C u0 p0 c0 {5,B} {6,B} {13,S} -8 *1 C u0 p0 c0 {2,S} {10,D} {15,S} -9 C u0 p0 c0 {3,D} {16,S} {17,S} -10 *2 C u1 p0 c0 {3,S} {8,D} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 *3 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {9,S} - -C10H7-6 -multiplicity 2 -1 C u0 p0 c0 {3,B} {4,S} {6,B} -2 C u0 p0 c0 {3,S} {5,S} {9,D} -3 C u0 p0 c0 {1,B} {2,S} {10,B} -4 C u0 p0 c0 {1,S} {5,D} {11,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 C u0 p0 c0 {1,B} {7,B} {13,S} -7 C u0 p0 c0 {6,B} {8,B} {14,S} -8 *1 C u0 p0 c0 {7,B} {10,B} {15,S} -9 C u0 p0 c0 {2,D} {16,S} {17,S} -10 *2 C u1 p0 c0 {3,B} {8,B} +5 C u0 p0 c0 {3,B} {7,B} {12,S} +6 C u0 p0 c0 {4,B} {7,B} {13,S} +7 C u0 p0 c0 {5,B} {6,B} {14,S} +8 *1 C u0 p0 c0 {2,S} {9,D} {16,S} +9 C u0 p0 c0 {8,D} {17,S} {18,S} +10 H u0 p0 c0 {3,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} -15 *3 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {2,S} +16 *3 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} -C10H7-5 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {5,B} -2 C u0 p0 c0 {1,B} {4,B} {8,B} -3 C u0 p0 c0 {1,B} {7,B} {11,S} +C9H8-12 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} 4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {1,B} {9,B} {15,S} -6 C u0 p0 c0 {4,B} {7,B} {13,S} -7 C u0 p0 c0 {3,B} {6,B} {14,S} -8 C u0 p0 c0 {2,B} {10,B} {16,S} -9 *1 C u0 p0 c0 {5,B} {10,B} {17,S} -10 *2 C u1 p0 c0 {8,B} {9,B} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {14,S} +7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {9,D} {16,S} {17,S} +9 *2 C u0 p0 c0 {7,D} {8,D} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} 12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {8,S} -17 *3 H u0 p0 c0 {9,S} - -C10H7-4 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {5,B} -2 C u0 p0 c0 {1,B} {4,B} {8,B} -3 C u0 p0 c0 {1,B} {7,B} {15,S} -4 C u0 p0 c0 {2,B} {6,B} {12,S} -5 C u0 p0 c0 {1,B} {9,B} {11,S} -6 C u0 p0 c0 {4,B} {7,B} {13,S} -7 C u0 p0 c0 {3,B} {6,B} {14,S} -8 *1 C u0 p0 c0 {2,B} {10,B} {17,S} -9 C u0 p0 c0 {5,B} {10,B} {16,S} -10 *2 C u1 p0 c0 {8,B} {9,B} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {9,S} -17 *3 H u0 p0 c0 {8,S} - -C10H7-3 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {10,B} -3 C u0 p0 c0 {1,B} {7,B} {15,S} -4 C u0 p0 c0 {1,B} {8,B} {11,S} -5 C u0 p0 c0 {2,B} {6,B} {12,S} -6 C u0 p0 c0 {5,B} {7,B} {13,S} -7 C u0 p0 c0 {3,B} {6,B} {14,S} -8 C u0 p0 c0 {4,B} {9,B} {16,S} -9 *1 C u0 p0 c0 {8,B} {10,B} {17,S} -10 *2 C u1 p0 c0 {2,B} {9,B} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} -17 *3 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {8,S} -C10H7-2 +C9H9-14 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {14,S} -4 C u0 p0 c0 {2,B} {5,B} {11,S} -5 C u0 p0 c0 {4,B} {6,B} {12,S} -6 C u0 p0 c0 {3,B} {5,B} {13,S} -7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} -8 C u0 p0 c0 {2,S} {10,T} -9 *2 C u1 p0 c0 {7,D} {16,S} -10 C u0 p0 c0 {8,T} {17,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {3,S} -15 *3 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {9,S} -17 H u0 p0 c0 {10,S} - -C10H8-8 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} +1 *1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {3,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} 7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *2 C u0 p0 c0 {8,S} {10,T} -10 *1 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} +8 C u0 p0 c0 {9,D} {17,S} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {8,S} -C10H8-9 -1 *2 C u0 p0 c0 {2,B} {3,B} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {6,B} -3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} -4 C u0 p0 c0 {1,B} {8,B} {12,S} -5 C u0 p0 c0 {2,B} {9,B} {13,S} -6 C u0 p0 c0 {2,B} {10,B} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {15,S} -8 C u0 p0 c0 {4,B} {10,B} {16,S} -9 C u0 p0 c0 {5,B} {7,B} {17,S} -10 C u0 p0 c0 {6,B} {8,B} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +C9H8-13 +1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *2 C u0 p0 c0 {1,S} {9,T} +9 *1 C u0 p0 c0 {8,T} {17,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -C10H8-2 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 *1 C u0 p0 c0 {1,S} {7,D} {11,S} -4 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {13,S} -6 C u0 p0 c0 {2,S} {10,D} {14,S} -7 *2 C u0 p0 c0 {3,D} {8,S} {15,S} -8 C u0 p0 c0 {4,D} {7,S} {16,S} -9 C u0 p0 c0 {5,D} {10,S} {17,S} -10 C u0 p0 c0 {6,D} {9,S} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +C9H9-15 +multiplicity 2 +1 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {9,D} {17,S} {18,S} +9 *2 C u1 p0 c0 {1,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 *3 H u0 p0 c0 {8,S} -C10H8-3 -1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u0 p0 c0 {1,D} {5,S} {6,S} -3 *2 C u0 p0 c0 {1,S} {7,D} {11,S} -4 C u0 p0 c0 {1,S} {8,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {13,S} -6 C u0 p0 c0 {2,S} {10,D} {14,S} -7 *1 C u0 p0 c0 {3,D} {8,S} {15,S} -8 C u0 p0 c0 {4,D} {7,S} {16,S} -9 C u0 p0 c0 {5,D} {10,S} {17,S} -10 C u0 p0 c0 {6,D} {9,S} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +C9H8-14 +1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {1,S} {9,T} +9 *2 C u0 p0 c0 {8,T} {17,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} -C10H8-4 -1 *1 C u0 p0 c0 {2,B} {3,B} {5,B} -2 C u0 p0 c0 {1,B} {4,B} {6,B} -3 C u0 p0 c0 {1,B} {7,B} {13,S} -4 C u0 p0 c0 {2,B} {8,B} {14,S} -5 *2 C u0 p0 c0 {1,B} {9,B} {15,S} -6 C u0 p0 c0 {2,B} {10,B} {16,S} -7 C u0 p0 c0 {3,B} {8,B} {11,S} -8 C u0 p0 c0 {4,B} {7,B} {12,S} -9 C u0 p0 c0 {5,B} {10,B} {17,S} -10 C u0 p0 c0 {6,B} {9,B} {18,S} -11 H u0 p0 c0 {7,S} -12 H u0 p0 c0 {8,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +C9H9-16 +multiplicity 2 +1 C u0 p0 c0 {2,S} {8,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {7,B} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {5,B} {7,B} {14,S} +7 C u0 p0 c0 {4,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {1,S} {9,D} {17,S} +9 *2 C u1 p0 c0 {8,D} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {4,S} +17 *3 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} -C10H8-5 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} +C8H6 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 *1 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 *2 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} +4 C u0 p0 c0 {2,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 *1 C u0 p0 c0 {1,S} {8,T} +8 *2 C u0 p0 c0 {7,T} {14,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +14 H u0 p0 c0 {8,S} -C10H8-6 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} +C9H9-17 +multiplicity 2 +1 *3 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {4,B} {5,B} +3 *1 C u0 p0 c0 {1,S} {2,S} {9,D} +4 C u0 p0 c0 {2,B} {6,B} {13,S} +5 C u0 p0 c0 {2,B} {8,B} {17,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {6,B} {8,B} {15,S} +8 C u0 p0 c0 {5,B} {7,B} {16,S} +9 *2 C u1 p0 c0 {3,D} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} + +C8H6-2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *1 C u0 p0 c0 {8,S} {10,T} -10 *2 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} +4 C u0 p0 c0 {2,B} {5,B} {10,S} +5 C u0 p0 c0 {4,B} {6,B} {11,S} +6 C u0 p0 c0 {3,B} {5,B} {12,S} +7 *2 C u0 p0 c0 {1,S} {8,T} +8 *1 C u0 p0 c0 {7,T} {14,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} +14 H u0 p0 c0 {8,S} -C10H8-7 -1 C u0 p0 c0 {2,B} {3,B} {4,S} -2 C u0 p0 c0 {1,B} {5,B} {12,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 *2 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 *1 C u0 p0 c0 {4,D} {9,S} {17,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {18,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {2,S} +C9H9-18 +multiplicity 2 +1 *3 C u0 p0 c0 {8,S} {10,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,B} {9,S} +3 C u0 p0 c0 {2,B} {5,B} {13,S} +4 C u0 p0 c0 {2,B} {7,B} {17,S} +5 C u0 p0 c0 {3,B} {6,B} {14,S} +6 C u0 p0 c0 {5,B} {7,B} {15,S} +7 C u0 p0 c0 {4,B} {6,B} {16,S} +8 *1 C u0 p0 c0 {1,S} {9,D} {18,S} +9 *2 C u1 p0 c0 {2,S} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {3,S} 14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {6,S} 16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {10,S} - -C2H2O -1 O u0 p2 c0 {3,D} -2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} -3 *1 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {2,S} -5 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {8,S} -C9H11-8 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {1,S} {9,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} -10 H u0 p0 c0 {1,S} +C10H10-11 +1 C u0 p0 c0 {3,S} {6,S} {11,S} {12,S} +2 C u0 p0 c0 {4,S} {13,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {5,B} {7,B} +4 *1 C u0 p0 c0 {2,S} {5,S} {6,D} +5 C u0 p0 c0 {3,B} {4,S} {8,B} +6 *2 C u0 p0 c0 {1,S} {4,D} {16,S} +7 C u0 p0 c0 {3,B} {9,B} {17,S} +8 C u0 p0 c0 {5,B} {10,B} {18,S} +9 C u0 p0 c0 {7,B} {10,B} {19,S} +10 C u0 p0 c0 {8,B} {9,B} {20,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 *3 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} 16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} -C9H11-9 +C10H11-17 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {10,S} -2 C u0 p0 c0 {1,S} {3,S} {13,S} {14,S} -3 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -4 C u0 p0 c0 {3,S} {5,S} {15,S} {16,S} -5 C u0 p0 c0 {1,S} {4,S} {7,D} -6 *2 C u1 p0 c0 {1,S} {8,S} {17,S} -7 C u0 p0 c0 {5,D} {9,S} {20,S} -8 C u0 p0 c0 {6,S} {9,D} {18,S} -9 C u0 p0 c0 {7,S} {8,D} {19,S} -10 *3 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {5,B} {8,B} +5 C u0 p0 c0 {2,S} {4,B} {7,B} +6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} +7 C u0 p0 c0 {5,B} {9,B} {18,S} +8 C u0 p0 c0 {4,B} {10,B} {19,S} +9 C u0 p0 c0 {7,B} {10,B} {20,S} +10 C u0 p0 c0 {8,B} {9,B} {21,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} + +C10H10-12 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {11,S} +2 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {7,S} {8,B} +5 *2 C u0 p0 c0 {1,S} {7,D} {15,S} +6 C u0 p0 c0 {3,B} {10,B} {17,S} +7 *1 C u0 p0 c0 {4,S} {5,D} {20,S} +8 C u0 p0 c0 {4,B} {9,B} {16,S} +9 C u0 p0 c0 {8,B} {10,B} {18,S} +10 C u0 p0 c0 {6,B} {9,B} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} 14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} 20 H u0 p0 c0 {7,S} -C9H11-6 +C10H11-18 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 *3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {5,B} {7,B} +5 C u0 p0 c0 {2,S} {4,B} {8,B} +6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} +7 C u0 p0 c0 {4,B} {10,B} {19,S} +8 C u0 p0 c0 {5,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {20,S} +10 C u0 p0 c0 {7,B} {9,B} {21,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +13 *3 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {7,S} 20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C9H11-7 +C10H11-19 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {8,B} {16,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {6,B} {7,B} {18,S} -9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} -10 *3 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {1,S} {5,B} {8,B} +5 C u0 p0 c0 {2,S} {4,B} {7,B} +6 *2 C u1 p0 c0 {1,S} {2,S} {17,S} +7 C u0 p0 c0 {5,B} {10,B} {21,S} +8 C u0 p0 c0 {4,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {19,S} +10 C u0 p0 c0 {7,B} {9,B} {20,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {7,S} -C9H11-4 -multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} -2 *1 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {19,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {20,S} -10 H u0 p0 c0 {1,S} +C10H10-13 +1 C u0 p0 c0 {3,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {3,S} {13,S} {14,S} {15,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {6,D} +4 C u0 p0 c0 {1,S} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {6,S} {8,B} +6 *2 C u0 p0 c0 {3,D} {5,S} {20,S} +7 C u0 p0 c0 {4,B} {9,B} {16,S} +8 C u0 p0 c0 {5,B} {10,B} {17,S} +9 C u0 p0 c0 {7,B} {10,B} {18,S} +10 C u0 p0 c0 {8,B} {9,B} {19,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {2,S} -14 *3 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {6,S} -20 H u0 p0 c0 {9,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {6,S} -C9H11-5 +C10H11-20 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {10,S} {11,S} -2 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {1,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {2,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {19,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {20,S} -10 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {6,S} {8,B} +6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} +7 C u0 p0 c0 {4,B} {9,B} {18,S} +8 C u0 p0 c0 {5,B} {10,B} {19,S} +9 C u0 p0 c0 {7,B} {10,B} {20,S} +10 C u0 p0 c0 {8,B} {9,B} {21,S} 11 *3 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} 20 H u0 p0 c0 {9,S} +21 H u0 p0 c0 {10,S} -C9H11-2 +C10H11-21 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 *3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {7,B} {17,S} -5 C u0 p0 c0 {3,B} {8,B} {18,S} -6 C u0 p0 c0 {7,B} {8,B} {15,S} -7 C u0 p0 c0 {4,B} {6,B} {14,S} -8 C u0 p0 c0 {5,B} {6,B} {16,S} -9 *2 C u1 p0 c0 {1,S} {19,S} {20,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {11,S} +2 C u0 p0 c0 {1,S} {4,S} {12,S} {13,S} +3 *3 C u0 p0 c0 {1,S} {14,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {5,B} {7,B} +5 C u0 p0 c0 {4,B} {6,S} {8,B} +6 *2 C u1 p0 c0 {1,S} {5,S} {17,S} +7 C u0 p0 c0 {4,B} {10,B} {21,S} +8 C u0 p0 c0 {5,B} {9,B} {18,S} +9 C u0 p0 c0 {8,B} {10,B} {19,S} +10 C u0 p0 c0 {7,B} {9,B} {20,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {8,S} 19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {7,S} -C9H11-3 +C10H11-22 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {12,S} {13,S} -2 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {4,B} {5,B} -4 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {8,B} {18,S} -6 C u0 p0 c0 {4,B} {7,B} {15,S} -7 C u0 p0 c0 {6,B} {8,B} {16,S} -8 C u0 p0 c0 {5,B} {7,B} {17,S} -9 *2 C u1 p0 c0 {2,S} {19,S} {20,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} +4 C u0 p0 c0 {2,B} {8,B} {18,S} +5 C u0 p0 c0 {2,B} {7,B} {19,S} +6 C u0 p0 c0 {7,B} {8,B} {16,S} +7 C u0 p0 c0 {5,B} {6,B} {15,S} +8 C u0 p0 c0 {4,B} {6,B} {17,S} +9 C u0 p0 c0 {3,S} {10,D} {14,S} +10 C u0 p0 c0 {9,D} {20,S} {21,S} +11 H u0 p0 c0 {1,S} 12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {9,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {5,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} -C9H11-1 +C4H6-2 +1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 *2 C u0 p0 c0 {1,D} {7,S} {8,S} +4 C u0 p0 c0 {2,D} {9,S} {10,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} + +C10H11-23 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} -2 *3 C u0 p0 c0 {1,S} {12,S} {13,S} {14,S} -3 C u0 p0 c0 {4,S} {5,B} {6,B} -4 *2 C u1 p0 c0 {1,S} {3,S} {15,S} -5 C u0 p0 c0 {3,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {9,B} {20,S} -7 C u0 p0 c0 {5,B} {8,B} {17,S} -8 C u0 p0 c0 {7,B} {9,B} {18,S} -9 C u0 p0 c0 {6,B} {8,B} {19,S} -10 H u0 p0 c0 {1,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {9,S} {11,S} +2 *3 C u0 p0 c0 {1,S} {4,B} {5,B} +3 C u0 p0 c0 {1,S} {10,D} {12,S} +4 C u0 p0 c0 {2,B} {8,B} {16,S} +5 C u0 p0 c0 {2,B} {7,B} {17,S} +6 C u0 p0 c0 {7,B} {8,B} {14,S} +7 C u0 p0 c0 {5,B} {6,B} {13,S} +8 C u0 p0 c0 {4,B} {6,B} {15,S} +9 *2 C u1 p0 c0 {1,S} {18,S} {19,S} +10 C u0 p0 c0 {3,D} {20,S} {21,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {5,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} + +C10H11-24 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {4,B} {5,B} +3 *2 C u1 p0 c0 {1,S} {9,S} {13,S} +4 C u0 p0 c0 {2,B} {6,B} {15,S} +5 C u0 p0 c0 {2,B} {7,B} {16,S} +6 C u0 p0 c0 {4,B} {8,B} {17,S} +7 C u0 p0 c0 {5,B} {8,B} {18,S} +8 C u0 p0 c0 {6,B} {7,B} {19,S} +9 C u0 p0 c0 {3,S} {10,D} {14,S} +10 C u0 p0 c0 {9,D} {20,S} {21,S} 11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {2,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {9,S} 15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {5,S} +17 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {7,S} +19 H u0 p0 c0 {8,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {10,S} + +C10H10-14 +1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 *1 C u0 p0 c0 {1,S} {5,D} {13,S} +3 C u0 p0 c0 {1,B} {6,B} {14,S} +4 C u0 p0 c0 {1,B} {7,B} {15,S} +5 *2 C u0 p0 c0 {2,D} {9,S} {12,S} +6 C u0 p0 c0 {3,B} {8,B} {16,S} +7 C u0 p0 c0 {4,B} {8,B} {17,S} +8 C u0 p0 c0 {6,B} {7,B} {18,S} +9 C u0 p0 c0 {5,S} {10,D} {11,S} +10 C u0 p0 c0 {9,D} {19,S} {20,S} +11 H u0 p0 c0 {9,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {6,S} 17 H u0 p0 c0 {7,S} 18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {9,S} -20 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} -C10H8-12 -1 C u0 p0 c0 {2,B} {3,B} {9,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {8,D} {10,S} {16,S} -8 C u0 p0 c0 {7,D} {17,S} {18,S} -9 *2 C u0 p0 c0 {1,S} {10,T} -10 *1 C u0 p0 c0 {7,S} {9,T} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} +C8H7 +multiplicity 2 +1 C u0 p0 c0 {2,B} {5,S} {8,B} +2 C u0 p0 c0 {1,B} {3,B} {10,S} +3 C u0 p0 c0 {2,B} {4,B} {11,S} +4 C u0 p0 c0 {3,B} {6,B} {9,S} +5 C u0 p0 c0 {1,S} {7,D} {12,S} +6 C u0 p0 c0 {4,B} {8,B} {13,S} +7 C u0 p0 c0 {5,D} {14,S} {15,S} +8 *3 C u1 p0 c0 {1,B} {6,B} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {7,S} -C10H8-13 +C10H9-20 +multiplicity 2 1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {1,S} {9,D} {16,S} -8 *2 C u0 p0 c0 {10,D} {17,S} {18,S} -9 C u0 p0 c0 {7,D} {10,D} -10 *1 C u0 p0 c0 {8,D} {9,D} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} - -C10H8-10 -1 *1 C u0 p0 c0 {2,B} {3,B} {4,B} -2 *2 C u0 p0 c0 {1,B} {5,B} {6,B} -3 C u0 p0 c0 {1,B} {7,B} {11,S} -4 C u0 p0 c0 {1,B} {8,B} {12,S} -5 C u0 p0 c0 {2,B} {9,B} {13,S} -6 C u0 p0 c0 {2,B} {10,B} {14,S} -7 C u0 p0 c0 {3,B} {9,B} {15,S} -8 C u0 p0 c0 {4,B} {10,B} {16,S} -9 C u0 p0 c0 {5,B} {7,B} {17,S} -10 C u0 p0 c0 {6,B} {8,B} {18,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} +2 *3 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {5,B} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {15,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {11,S} +7 C u0 p0 c0 {1,S} {9,D} {14,S} +8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} +9 C u0 p0 c0 {7,D} {17,S} {18,S} +10 *2 C u1 p0 c0 {8,D} {19,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} 16 H u0 p0 c0 {8,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} -C10H8-11 -1 C u0 p0 c0 {2,B} {3,B} {9,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {8,D} {10,S} {16,S} -8 C u0 p0 c0 {7,D} {17,S} {18,S} -9 *1 C u0 p0 c0 {1,S} {10,T} -10 *2 C u0 p0 c0 {7,S} {9,T} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} +C10H9-21 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {3,B} {4,S} {7,B} +3 C u0 p0 c0 {2,B} {6,S} {8,B} +4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} +5 C u0 p0 c0 {1,S} {6,D} {14,S} +6 C u0 p0 c0 {3,S} {5,D} {16,S} +7 C u0 p0 c0 {2,B} {9,B} {15,S} +8 C u0 p0 c0 {3,B} {10,B} {18,S} +9 C u0 p0 c0 {7,B} {10,B} {17,S} +10 C u0 p0 c0 {8,B} {9,B} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} 18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} C10H8-16 1 C u0 p0 c0 {2,B} {3,B} {4,B} @@ -5274,6 +5144,28 @@ C10H8-16 17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {10,S} +C10H9-22 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {11,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {6,S} {7,B} +4 C u0 p0 c0 {1,S} {6,D} {12,S} +5 C u0 p0 c0 {2,B} {8,B} {13,S} +6 C u0 p0 c0 {3,S} {4,D} {14,S} +7 C u0 p0 c0 {3,B} {9,B} {16,S} +8 C u0 p0 c0 {5,B} {9,B} {15,S} +9 C u0 p0 c0 {7,B} {8,B} {17,S} +10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} + C10H8-17 1 C u0 p0 c0 {2,B} {3,S} {5,B} 2 C u0 p0 c0 {1,B} {6,S} {7,B} @@ -5294,41 +5186,27 @@ C10H8-17 17 H u0 p0 c0 {10,S} 18 H u0 p0 c0 {10,S} -C10H8-14 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {11,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {2,B} {5,B} {12,S} -5 C u0 p0 c0 {4,B} {6,B} {13,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 *2 C u0 p0 c0 {1,S} {9,D} {16,S} -8 C u0 p0 c0 {10,D} {17,S} {18,S} -9 *1 C u0 p0 c0 {7,D} {10,D} -10 C u0 p0 c0 {8,D} {9,D} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {8,S} - -C4H7O2 +C10H9-23 multiplicity 2 -1 *2 O u1 p2 c0 {4,S} -2 O u0 p2 c0 {6,D} -3 *3 C u0 p0 c0 {4,S} {6,S} {7,S} {8,S} -4 *1 C u0 p0 c0 {1,S} {3,S} {9,S} {10,S} -5 C u0 p0 c0 {6,S} {11,S} {12,S} {13,S} -6 C u0 p0 c0 {2,D} {3,S} {5,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {2,B} {3,B} {5,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {7,B} {12,S} +4 C u0 p0 c0 {2,B} {6,B} {11,S} +5 C u0 p0 c0 {1,S} {9,D} {13,S} +6 C u0 p0 c0 {4,B} {7,B} {14,S} +7 C u0 p0 c0 {3,B} {6,B} {15,S} +8 *1 C u0 p0 c0 {2,S} {10,D} {16,S} +9 C u0 p0 c0 {5,D} {17,S} {18,S} +10 *2 C u1 p0 c0 {8,D} {19,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 *3 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} C10H8-18 1 C u0 p0 c0 {2,B} {3,B} {5,S} @@ -5350,6 +5228,28 @@ C10H8-18 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {10,S} +C10H9-24 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {5,S} +3 C u0 p0 c0 {2,S} {4,B} {8,B} +4 C u0 p0 c0 {3,B} {6,B} {7,S} +5 C u0 p0 c0 {2,S} {7,D} {19,S} +6 C u0 p0 c0 {4,B} {9,B} {14,S} +7 C u0 p0 c0 {4,S} {5,D} {17,S} +8 C u0 p0 c0 {3,B} {10,B} {18,S} +9 C u0 p0 c0 {6,B} {10,B} {15,S} +10 C u0 p0 c0 {8,B} {9,B} {16,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {10,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {5,S} + C10H8-19 1 C u0 p0 c0 {2,B} {3,S} {6,B} 2 C u0 p0 c0 {1,B} {4,B} {5,S} @@ -5370,237 +5270,418 @@ C10H8-19 17 H u0 p0 c0 {10,S} 18 H u0 p0 c0 {10,S} -C7H6-3 -1 C u0 p0 c0 {2,S} {3,S} {7,D} -2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {9,S} -4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} -5 C u0 p0 c0 {3,D} {4,S} {11,S} -6 C u0 p0 c0 {7,D} {12,S} {13,S} -7 C u0 p0 c0 {1,D} {6,D} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {6,S} +C10H9-25 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,S} {10,D} +3 C u0 p0 c0 {2,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,S} {7,B} +5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} +6 C u0 p0 c0 {3,B} {8,B} {14,S} +7 C u0 p0 c0 {4,B} {9,B} {16,S} +8 C u0 p0 c0 {6,B} {9,B} {15,S} +9 C u0 p0 c0 {7,B} {8,B} {17,S} +10 C u0 p0 c0 {2,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C7H6-2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,D} {5,S} {11,S} -5 C u0 p0 c0 {3,D} {4,S} {12,S} -6 *1 C u0 p0 c0 {2,S} {7,T} -7 *2 C u0 p0 c0 {6,T} {13,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {3,S} +C10H8-20 +1 C u0 p0 c0 {2,B} {3,S} {6,B} +2 C u0 p0 c0 {1,B} {5,S} {7,B} +3 C u0 p0 c0 {1,S} {4,S} {10,D} +4 *1 C u0 p0 c0 {3,S} {5,D} {11,S} +5 *2 C u0 p0 c0 {2,S} {4,D} {12,S} +6 C u0 p0 c0 {1,B} {8,B} {13,S} +7 C u0 p0 c0 {2,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {14,S} +9 C u0 p0 c0 {7,B} {8,B} {16,S} +10 C u0 p0 c0 {3,D} {17,S} {18,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C7H9-6 +C10H9-26 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {4,S} {5,S} -4 C u0 p0 c0 {3,S} {6,D} {14,S} -5 C u0 p0 c0 {3,S} {7,D} {16,S} -6 C u0 p0 c0 {4,D} {7,S} {13,S} -7 C u0 p0 c0 {5,D} {6,S} {15,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} +1 *2 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {3,B} {6,B} {13,S} +6 C u0 p0 c0 {4,B} {5,B} {14,S} +7 *1 C u0 p0 c0 {1,S} {8,D} {15,S} +8 C u0 p0 c0 {7,D} {16,S} {17,S} +9 C u0 p0 c0 {10,D} {18,S} {19,S} +10 C u1 p0 c0 {2,S} {9,D} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 *3 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {9,S} + +C10H8-21 +1 *2 C u0 p0 c0 {2,S} {3,S} {9,D} +2 C u0 p0 c0 {1,S} {4,S} {10,D} +3 C u0 p0 c0 {1,S} {5,D} {11,S} +4 C u0 p0 c0 {2,S} {6,D} {12,S} +5 C u0 p0 c0 {3,D} {6,S} {13,S} +6 C u0 p0 c0 {4,D} {5,S} {14,S} +7 C u0 p0 c0 {9,D} {15,S} {16,S} +8 C u0 p0 c0 {10,D} {17,S} {18,S} +9 *1 C u0 p0 c0 {1,D} {7,D} +10 C u0 p0 c0 {2,D} {8,D} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} + +C10H9-27 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {10,S} {11,S} +2 C u0 p0 c0 {3,S} {4,D} {6,S} +3 C u0 p0 c0 {2,S} {5,D} {7,S} +4 C u0 p0 c0 {1,S} {2,D} {12,S} +5 C u0 p0 c0 {1,S} {3,D} {13,S} +6 C u0 p0 c0 {2,S} {8,D} {14,S} +7 C u0 p0 c0 {3,S} {9,D} {15,S} +8 C u0 p0 c0 {6,D} {9,S} {16,S} +9 C u0 p0 c0 {7,D} {8,S} {17,S} +10 *2 C u1 p0 c0 {1,S} {18,S} {19,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} + +C10H8-22 +1 C u0 p0 c0 {2,S} {4,D} {6,S} +2 C u0 p0 c0 {1,S} {5,D} {7,S} +3 *1 C u0 p0 c0 {4,S} {5,S} {10,D} +4 C u0 p0 c0 {1,D} {3,S} {11,S} +5 C u0 p0 c0 {2,D} {3,S} {12,S} +6 C u0 p0 c0 {1,S} {8,D} {13,S} +7 C u0 p0 c0 {2,S} {9,D} {14,S} +8 C u0 p0 c0 {6,D} {9,S} {15,S} +9 C u0 p0 c0 {7,D} {8,S} {16,S} +10 *2 C u0 p0 c0 {3,D} {17,S} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} + +C10H9-28 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {6,S} {7,B} +4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} +5 C u0 p0 c0 {2,B} {9,B} {15,S} +6 C u0 p0 c0 {3,S} {8,D} {16,S} +7 C u0 p0 c0 {3,B} {10,B} {17,S} +8 C u0 p0 c0 {4,S} {6,D} {14,S} +9 C u0 p0 c0 {5,B} {10,B} {18,S} +10 C u0 p0 c0 {7,B} {9,B} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} + +C10H8-23 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {6,B} +3 *1 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {1,B} {9,B} {14,S} +5 C u0 p0 c0 {2,B} {8,B} {15,S} +6 C u0 p0 c0 {2,B} {10,B} {16,S} +7 *2 C u0 p0 c0 {3,B} {8,B} {12,S} +8 C u0 p0 c0 {5,B} {7,B} {13,S} +9 C u0 p0 c0 {4,B} {10,B} {17,S} +10 C u0 p0 c0 {6,B} {9,B} {18,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {7,S} +13 H u0 p0 c0 {8,S} 14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} + +C10H9-29 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {6,S} +3 C u0 p0 c0 {4,S} {5,D} {7,S} +4 C u0 p0 c0 {3,S} {6,D} {8,S} +5 C u0 p0 c0 {2,S} {3,D} {14,S} +6 C u0 p0 c0 {2,S} {4,D} {16,S} +7 C u0 p0 c0 {3,S} {9,D} {15,S} +8 C u0 p0 c0 {4,S} {10,D} {18,S} +9 C u0 p0 c0 {7,D} {10,S} {17,S} +10 C u0 p0 c0 {8,D} {9,S} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {5,S} 15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {10,S} + +C10H8-24 +1 C u0 p0 c0 {2,S} {4,D} {6,S} +2 C u0 p0 c0 {1,S} {5,D} {7,S} +3 *2 C u0 p0 c0 {4,S} {5,S} {10,D} +4 C u0 p0 c0 {1,D} {3,S} {11,S} +5 C u0 p0 c0 {2,D} {3,S} {13,S} +6 C u0 p0 c0 {1,S} {8,D} {12,S} +7 C u0 p0 c0 {2,S} {9,D} {15,S} +8 C u0 p0 c0 {6,D} {9,S} {14,S} +9 C u0 p0 c0 {7,D} {8,S} {16,S} +10 *1 C u0 p0 c0 {3,D} {17,S} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C6H9 +C10H9-30 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {5,D} -3 C u0 p0 c0 {1,S} {6,D} {9,S} -4 *2 C u1 p0 c0 {2,S} {10,S} {11,S} -5 C u0 p0 c0 {2,D} {12,S} {13,S} -6 C u0 p0 c0 {3,D} {14,S} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {5,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {12,S} +2 *2 C u0 p0 c0 {1,S} {4,B} {6,B} +3 C u0 p0 c0 {1,S} {5,S} {10,D} +4 C u0 p0 c0 {2,B} {5,S} {7,B} +5 C u1 p0 c0 {3,S} {4,S} {13,S} +6 C u0 p0 c0 {2,B} {8,B} {14,S} +7 C u0 p0 c0 {4,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {16,S} +9 C u0 p0 c0 {7,B} {8,B} {17,S} +10 C u0 p0 c0 {3,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} 13 H u0 p0 c0 {5,S} 14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C6H8 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} -2 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,S} {6,D} -4 *2 C u0 p0 c0 {2,S} {5,D} {11,S} -5 *1 C u0 p0 c0 {3,S} {4,D} {12,S} -6 C u0 p0 c0 {3,D} {13,S} {14,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} +C10H8-25 +1 *2 C u0 p0 c0 {2,S} {4,D} {6,S} +2 C u0 p0 c0 {1,S} {5,D} {7,S} +3 C u0 p0 c0 {4,S} {5,S} {10,D} +4 *1 C u0 p0 c0 {1,D} {3,S} {11,S} +5 C u0 p0 c0 {2,D} {3,S} {12,S} +6 C u0 p0 c0 {1,S} {8,D} {13,S} +7 C u0 p0 c0 {2,S} {9,D} {14,S} +8 C u0 p0 c0 {6,D} {9,S} {15,S} +9 C u0 p0 c0 {7,D} {8,S} {16,S} +10 C u0 p0 c0 {3,D} {17,S} {18,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C7H9-7 +C10H9-31 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} -2 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} -4 C u0 p0 c0 {1,S} {5,D} {13,S} -5 C u0 p0 c0 {2,S} {4,D} {12,S} -6 *3 C u0 p0 c0 {1,S} {7,D} {14,S} -7 C u0 p0 c0 {6,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 C u0 p0 c0 {2,B} {4,S} {7,B} +4 C u0 p0 c0 {3,S} {5,S} {10,D} +5 *2 C u1 p0 c0 {1,S} {4,S} {13,S} +6 C u0 p0 c0 {2,B} {9,B} {16,S} +7 C u0 p0 c0 {3,B} {8,B} {14,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {17,S} +10 C u0 p0 c0 {4,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 *3 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C6H7 -multiplicity 2 -1 *3 C u0 p0 c0 {3,S} {5,S} {7,S} {8,S} -2 C u0 p0 c0 {4,S} {9,S} {10,S} {11,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {12,S} -4 *2 C u1 p0 c0 {2,S} {3,D} -5 C u0 p0 c0 {1,S} {6,T} -6 C u0 p0 c0 {5,T} {13,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} +C10H8-26 +1 C u0 p0 c0 {2,B} {3,S} {6,B} +2 C u0 p0 c0 {1,B} {5,S} {7,B} +3 C u0 p0 c0 {1,S} {4,S} {10,D} +4 *2 C u0 p0 c0 {3,S} {5,D} {11,S} +5 *1 C u0 p0 c0 {2,S} {4,D} {12,S} +6 C u0 p0 c0 {1,B} {8,B} {13,S} +7 C u0 p0 c0 {2,B} {9,B} {15,S} +8 C u0 p0 c0 {6,B} {9,B} {14,S} +9 C u0 p0 c0 {7,B} {8,B} {16,S} +10 C u0 p0 c0 {3,D} {17,S} {18,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} +18 H u0 p0 c0 {10,S} -C6H6 -1 *2 C u0 p0 c0 {2,S} {3,S} {6,D} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {10,S} -4 C u0 p0 c0 {2,D} {5,S} {7,S} -5 C u0 p0 c0 {3,D} {4,S} {9,S} -6 *1 C u0 p0 c0 {1,D} {11,S} {12,S} -7 H u0 p0 c0 {4,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {5,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {6,S} +C10H10-16 +multiplicity 3 +1 *1 C u0 p0 c0 {3,S} {4,S} {6,S} {11,S} +2 C u0 p0 c0 {3,S} {5,S} {12,S} {13,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +4 C u0 p0 c0 {1,S} {5,S} {10,D} +5 C u1 p0 c0 {2,S} {4,S} {14,S} +6 C u0 p0 c0 {1,S} {8,D} {15,S} +7 C u0 p0 c0 {3,S} {9,D} {17,S} +8 C u0 p0 c0 {6,D} {9,S} {16,S} +9 C u0 p0 c0 {7,D} {8,S} {18,S} +10 C u0 p0 c0 {4,D} {19,S} {20,S} +11 *3 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {8,S} +17 H u0 p0 c0 {7,S} +18 H u0 p0 c0 {9,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {10,S} -C6H5 +C10H9-32 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {8,S} -2 C u0 p0 c0 {1,B} {4,B} {7,S} -3 C u0 p0 c0 {1,B} {5,B} {9,S} -4 C u0 p0 c0 {2,B} {6,B} {10,S} -5 C u0 p0 c0 {3,B} {6,B} {11,S} -6 *3 C u1 p0 c0 {4,B} {5,B} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {3,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {2,S} {5,S} {11,S} {12,S} +2 *2 C u0 p0 c0 {1,S} {3,B} {6,B} +3 *1 C u0 p0 c0 {2,B} {4,S} {7,B} +4 C u0 p0 c0 {3,S} {5,S} {10,D} +5 C u1 p0 c0 {1,S} {4,S} {13,S} +6 C u0 p0 c0 {2,B} {9,B} {16,S} +7 C u0 p0 c0 {3,B} {8,B} {14,S} +8 C u0 p0 c0 {7,B} {9,B} {15,S} +9 C u0 p0 c0 {6,B} {8,B} {17,S} +10 C u0 p0 c0 {4,D} {18,S} {19,S} +11 H u0 p0 c0 {1,S} +12 H u0 p0 c0 {1,S} +13 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {6,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {10,S} +19 H u0 p0 c0 {10,S} -C7H7-2 +C8H5 multiplicity 2 -1 *2 C u1 p0 c0 {2,S} {3,S} {6,S} -2 C u0 p0 c0 {1,S} {4,D} {8,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {2,D} {5,S} {9,S} -5 C u0 p0 c0 {3,D} {4,S} {10,S} -6 *1 C u0 p0 c0 {1,S} {7,D} {12,S} -7 C u0 p0 c0 {6,D} {13,S} {14,S} -8 H u0 p0 c0 {2,S} +1 C u0 p0 c0 {3,B} {6,B} {7,S} +2 C u0 p0 c0 {3,B} {4,B} {10,S} +3 C u0 p0 c0 {1,B} {2,B} {11,S} +4 C u0 p0 c0 {2,B} {5,B} {9,S} +5 C u0 p0 c0 {4,B} {6,B} {12,S} +6 *3 C u1 p0 c0 {1,B} {5,B} +7 C u0 p0 c0 {1,S} {8,T} +8 C u0 p0 c0 {7,T} {13,S} 9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {3,S} -12 *3 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {8,S} -C7H9-9 +C10H7 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {1,S} {5,S} {12,S} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,S} {7,D} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u0 p0 c0 {5,D} {6,S} {14,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} +1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {14,S} +4 C u0 p0 c0 {2,B} {5,B} {13,S} +5 C u0 p0 c0 {4,B} {6,B} {12,S} +6 C u0 p0 c0 {3,B} {5,B} {11,S} +7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {2,S} {10,T} +9 *2 C u1 p0 c0 {7,D} {16,S} +10 C u0 p0 c0 {8,T} {17,S} +11 H u0 p0 c0 {6,S} +12 H u0 p0 c0 {5,S} 13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} - -C3H4-3 -1 *1 C u0 p0 c0 {3,D} {4,S} {5,S} -2 C u0 p0 c0 {3,D} {6,S} {7,S} -3 *2 C u0 p0 c0 {1,D} {2,D} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} - -C3H4-2 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *2 C u0 p0 c0 {1,S} {3,T} -3 *1 C u0 p0 c0 {2,T} {7,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {3,S} - -C3H4-4 -1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *1 C u0 p0 c0 {1,S} {3,T} -3 *2 C u0 p0 c0 {2,T} {7,S} -4 H u0 p0 c0 {1,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} -C7H13_2 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {6,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {4,S} {17,S} -6 C u0 p0 c0 {2,S} {7,D} {18,S} -7 C u0 p0 c0 {6,D} {19,S} {20,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} +C10H6 +1 C u0 p0 c0 {2,B} {3,B} {8,S} +2 C u0 p0 c0 {1,B} {4,B} {7,S} +3 C u0 p0 c0 {1,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {4,B} {5,B} {13,S} +7 *1 C u0 p0 c0 {2,S} {9,T} +8 C u0 p0 c0 {1,S} {10,T} +9 *2 C u0 p0 c0 {7,T} {15,S} +10 C u0 p0 c0 {8,T} {16,S} 11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {5,S} -18 H u0 p0 c0 {6,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {9,S} +16 H u0 p0 c0 {10,S} + +C10H7-2 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {8,S} +3 C u0 p0 c0 {1,B} {6,B} {14,S} +4 C u0 p0 c0 {2,B} {5,B} {11,S} +5 C u0 p0 c0 {4,B} {6,B} {12,S} +6 C u0 p0 c0 {3,B} {5,B} {13,S} +7 *1 C u0 p0 c0 {1,S} {9,D} {15,S} +8 C u0 p0 c0 {2,S} {10,T} +9 *2 C u1 p0 c0 {7,D} {16,S} +10 C u0 p0 c0 {8,T} {17,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {3,S} +15 *3 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {10,S} C10H6-2 1 C u0 p0 c0 {2,B} {3,B} {4,S} @@ -5620,6 +5701,26 @@ C10H6-2 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {8,S} +C10H7-3 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {10,B} +3 C u0 p0 c0 {1,B} {7,B} {15,S} +4 C u0 p0 c0 {1,B} {8,B} {11,S} +5 C u0 p0 c0 {2,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {3,B} {6,B} {14,S} +8 C u0 p0 c0 {4,B} {9,B} {16,S} +9 *1 C u0 p0 c0 {8,B} {10,B} {17,S} +10 *2 C u1 p0 c0 {2,B} {9,B} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {8,S} +17 *3 H u0 p0 c0 {9,S} + C10H6-3 1 C u0 p0 c0 {2,B} {3,B} {4,S} 2 C u0 p0 c0 {1,B} {5,B} {9,S} @@ -5638,27 +5739,25 @@ C10H6-3 15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {8,S} -N2 -1 *1 N u0 p1 c0 {2,T} -2 *2 N u0 p1 c0 {1,T} - -C10H6-6 -1 C u0 p0 c0 {2,B} {3,S} {4,B} -2 C u0 p0 c0 {1,B} {5,B} {9,S} -3 C u0 p0 c0 {1,S} {8,D} {10,S} -4 C u0 p0 c0 {1,B} {6,B} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {4,B} {7,B} {12,S} -7 C u0 p0 c0 {5,B} {6,B} {13,S} -8 C u0 p0 c0 {3,D} {15,S} {16,S} -9 *1 C u0 p0 c0 {2,S} {10,T} -10 *2 C u0 p0 c0 {3,S} {9,T} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {8,S} -16 H u0 p0 c0 {8,S} +C10H7-4 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {8,B} +3 C u0 p0 c0 {1,B} {7,B} {15,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {1,B} {9,B} {11,S} +6 C u0 p0 c0 {4,B} {7,B} {13,S} +7 C u0 p0 c0 {3,B} {6,B} {14,S} +8 *1 C u0 p0 c0 {2,B} {10,B} {17,S} +9 C u0 p0 c0 {5,B} {10,B} {16,S} +10 *2 C u1 p0 c0 {8,B} {9,B} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {9,S} +17 *3 H u0 p0 c0 {8,S} C10H6-4 1 C u0 p0 c0 {2,B} {3,B} {7,S} @@ -5678,6 +5777,26 @@ C10H6-4 15 H u0 p0 c0 {7,S} 16 H u0 p0 c0 {8,S} +C10H7-5 +multiplicity 2 +1 C u0 p0 c0 {2,B} {3,B} {5,B} +2 C u0 p0 c0 {1,B} {4,B} {8,B} +3 C u0 p0 c0 {1,B} {7,B} {11,S} +4 C u0 p0 c0 {2,B} {6,B} {12,S} +5 C u0 p0 c0 {1,B} {9,B} {15,S} +6 C u0 p0 c0 {4,B} {7,B} {13,S} +7 C u0 p0 c0 {3,B} {6,B} {14,S} +8 C u0 p0 c0 {2,B} {10,B} {16,S} +9 *1 C u0 p0 c0 {5,B} {10,B} {17,S} +10 *2 C u1 p0 c0 {8,B} {9,B} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {8,S} +17 *3 H u0 p0 c0 {9,S} + C10H6-5 1 C u0 p0 c0 {3,D} {4,S} {6,S} 2 C u0 p0 c0 {3,S} {5,S} {8,D} @@ -5696,181 +5815,160 @@ C10H6-5 15 H u0 p0 c0 {8,S} 16 H u0 p0 c0 {8,S} -C10H9-5 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} -2 *3 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {6,B} {17,S} -4 C u0 p0 c0 {2,B} {7,B} {18,S} -5 C u0 p0 c0 {6,B} {7,B} {16,S} -6 C u0 p0 c0 {3,B} {5,B} {14,S} -7 C u0 p0 c0 {4,B} {5,B} {15,S} -8 *2 C u1 p0 c0 {1,S} {9,S} {13,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {8,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {10,S} - -C10H9-4 +C10H7-6 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {11,S} -2 C u0 p0 c0 {1,S} {5,S} {6,D} -3 *2 C u1 p0 c0 {1,S} {8,S} {13,S} -4 C u0 p0 c0 {1,S} {7,D} {12,S} -5 C u0 p0 c0 {2,S} {9,D} {16,S} -6 C u0 p0 c0 {2,D} {10,S} {17,S} -7 C u0 p0 c0 {4,D} {9,S} {14,S} -8 C u0 p0 c0 {3,S} {10,D} {18,S} -9 C u0 p0 c0 {5,D} {7,S} {15,S} -10 C u0 p0 c0 {6,S} {8,D} {19,S} -11 *3 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {3,B} {4,S} {6,B} +2 C u0 p0 c0 {3,S} {5,S} {9,D} +3 C u0 p0 c0 {1,B} {2,S} {10,B} +4 C u0 p0 c0 {1,S} {5,D} {11,S} +5 C u0 p0 c0 {2,S} {4,D} {12,S} +6 C u0 p0 c0 {1,B} {7,B} {13,S} +7 C u0 p0 c0 {6,B} {8,B} {14,S} +8 *1 C u0 p0 c0 {7,B} {10,B} {15,S} +9 C u0 p0 c0 {2,D} {16,S} {17,S} +10 *2 C u1 p0 c0 {3,B} {8,B} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {9,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} +15 *3 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} +17 H u0 p0 c0 {9,S} -C10H9-7 +C10H6-6 +1 C u0 p0 c0 {2,B} {3,S} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {9,S} +3 C u0 p0 c0 {1,S} {8,D} {10,S} +4 C u0 p0 c0 {1,B} {6,B} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {7,B} {12,S} +7 C u0 p0 c0 {5,B} {6,B} {13,S} +8 C u0 p0 c0 {3,D} {15,S} {16,S} +9 *1 C u0 p0 c0 {2,S} {10,T} +10 *2 C u0 p0 c0 {3,S} {9,T} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {8,S} + +C10H7-7 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,B} {4,B} -2 *1 C u0 p0 c0 {1,S} {8,S} {10,D} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {1,B} {7,B} {16,S} -5 C u0 p0 c0 {6,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 C u0 p0 c0 {4,B} {5,B} {13,S} -8 C u0 p0 c0 {2,S} {9,D} {11,S} -9 C u0 p0 c0 {8,D} {17,S} {18,S} -10 *2 C u1 p0 c0 {2,D} {19,S} -11 H u0 p0 c0 {8,S} +1 C u0 p0 c0 {2,B} {3,S} {4,B} +2 C u0 p0 c0 {1,B} {5,B} {8,S} +3 C u0 p0 c0 {1,S} {9,D} {10,S} +4 C u0 p0 c0 {1,B} {6,B} {11,S} +5 C u0 p0 c0 {2,B} {7,B} {14,S} +6 C u0 p0 c0 {4,B} {7,B} {12,S} +7 C u0 p0 c0 {5,B} {6,B} {13,S} +8 *1 C u0 p0 c0 {2,S} {10,D} {15,S} +9 C u0 p0 c0 {3,D} {16,S} {17,S} +10 *2 C u1 p0 c0 {3,S} {8,D} +11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {6,S} 13 H u0 p0 c0 {7,S} 14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} +15 *3 H u0 p0 c0 {8,S} +16 H u0 p0 c0 {9,S} 17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} -C10H9-6 +C8H7-2 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {8,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,B} {4,B} -3 C u0 p0 c0 {2,B} {5,B} {13,S} -4 C u0 p0 c0 {2,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {7,B} {15,S} -6 C u0 p0 c0 {4,B} {7,B} {16,S} -7 C u0 p0 c0 {5,B} {6,B} {17,S} -8 *2 C u1 p0 c0 {1,S} {9,S} {18,S} -9 C u0 p0 c0 {8,S} {10,T} -10 C u0 p0 c0 {9,T} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {6,B} {11,S} +3 C u0 p0 c0 {1,B} {4,B} {12,S} +4 C u0 p0 c0 {3,B} {5,B} {13,S} +5 C u0 p0 c0 {4,B} {6,B} {10,S} +6 C u0 p0 c0 {2,B} {5,B} {9,S} +7 C u0 p0 c0 {1,S} {8,D} {14,S} +8 *3 C u1 p0 c0 {7,D} {15,S} +9 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {5,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {3,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} -C10H9-3 +C10H9-33 multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {11,S} {12,S} -2 C u0 p0 c0 {3,D} {4,S} {6,S} -3 C u0 p0 c0 {2,D} {7,S} {8,S} -4 *2 C u1 p0 c0 {1,S} {2,S} {13,S} -5 C u0 p0 c0 {1,S} {6,D} {14,S} -6 C u0 p0 c0 {2,S} {5,D} {15,S} -7 C u0 p0 c0 {3,S} {9,D} {16,S} -8 C u0 p0 c0 {3,S} {10,D} {17,S} -9 C u0 p0 c0 {7,D} {10,S} {18,S} -10 C u0 p0 c0 {8,D} {9,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +1 C u0 p0 c0 {2,B} {3,B} {4,S} +2 C u0 p0 c0 {1,B} {7,B} {13,S} +3 C u0 p0 c0 {1,B} {5,B} {14,S} +4 C u0 p0 c0 {1,S} {8,D} {16,S} +5 C u0 p0 c0 {3,B} {6,B} {15,S} +6 C u0 p0 c0 {5,B} {7,B} {12,S} +7 C u0 p0 c0 {2,B} {6,B} {11,S} +8 *3 C u0 p0 c0 {4,D} {9,S} {17,S} +9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} +10 *2 C u1 p0 c0 {9,D} {19,S} +11 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {8,S} 18 H u0 p0 c0 {9,S} 19 H u0 p0 c0 {10,S} -C10H9-2 +C8H7-3 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {11,S} {12,S} -2 C u0 p0 c0 {1,S} {3,D} {5,S} -3 C u0 p0 c0 {2,D} {6,S} {7,S} -4 *2 C u1 p0 c0 {1,S} {8,S} {13,S} -5 C u0 p0 c0 {2,S} {8,D} {14,S} -6 C u0 p0 c0 {3,S} {9,D} {15,S} -7 C u0 p0 c0 {3,S} {10,D} {16,S} -8 C u0 p0 c0 {4,S} {5,D} {17,S} -9 C u0 p0 c0 {6,D} {10,S} {18,S} -10 C u0 p0 c0 {7,D} {9,S} {19,S} -11 H u0 p0 c0 {1,S} -12 *3 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +1 C u0 p0 c0 {2,B} {3,B} {7,S} +2 C u0 p0 c0 {1,B} {4,B} {9,S} +3 C u0 p0 c0 {1,B} {5,B} {10,S} +4 C u0 p0 c0 {2,B} {6,B} {11,S} +5 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {4,B} {5,B} {13,S} +7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +8 *2 C u1 p0 c0 {7,D} {15,S} +9 H u0 p0 c0 {2,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 *3 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} -C10H9-9 +C8H7-4 multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {4,S} +1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} 2 C u0 p0 c0 {1,B} {5,B} {12,S} 3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {1,S} {8,D} {11,S} -5 C u0 p0 c0 {2,B} {7,B} {14,S} -6 C u0 p0 c0 {3,B} {7,B} {15,S} -7 C u0 p0 c0 {5,B} {6,B} {16,S} -8 C u0 p0 c0 {4,D} {9,S} {17,S} -9 *1 C u0 p0 c0 {8,S} {10,D} {18,S} -10 *2 C u1 p0 c0 {9,D} {19,S} +4 C u0 p0 c0 {5,B} {6,B} {11,S} +5 C u0 p0 c0 {2,B} {4,B} {9,S} +6 C u0 p0 c0 {3,B} {4,B} {10,S} +7 *1 C u0 p0 c0 {1,S} {8,D} {14,S} +8 *2 C u1 p0 c0 {7,D} {15,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {6,S} 11 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {2,S} 13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 *3 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {10,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {8,S} -C10H9-8 +C9H9-19 multiplicity 2 -1 *3 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {5,B} {14,S} -3 C u0 p0 c0 {1,B} {6,B} {15,S} -4 C u0 p0 c0 {5,B} {6,B} {13,S} -5 C u0 p0 c0 {2,B} {4,B} {11,S} -6 C u0 p0 c0 {3,B} {4,B} {12,S} -7 *1 C u0 p0 c0 {1,S} {10,D} {17,S} -8 C u0 p0 c0 {9,D} {10,S} {16,S} -9 C u0 p0 c0 {8,D} {18,S} {19,S} -10 *2 C u1 p0 c0 {7,D} {8,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {8,S} -17 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 *3 C u0 p0 c0 {1,S} {8,S} {11,S} {12,S} +3 *2 C u1 p0 c0 {1,S} {5,S} {13,S} +4 C u0 p0 c0 {1,S} {6,D} {14,S} +5 C u0 p0 c0 {3,S} {7,D} {15,S} +6 C u0 p0 c0 {4,D} {7,S} {17,S} +7 C u0 p0 c0 {5,D} {6,S} {16,S} +8 C u0 p0 c0 {2,S} {9,T} +9 C u0 p0 c0 {8,T} {18,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {5,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {6,S} 18 H u0 p0 c0 {9,S} -19 H u0 p0 c0 {9,S} C3H3-2 multiplicity 2 @@ -5881,47 +5979,31 @@ multiplicity 2 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {3,S} -C6H9-11 +C9H9-20 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} -2 C u0 p0 c0 {1,S} {5,S} {8,S} {9,S} -3 *3 C u0 p0 c0 {1,S} {10,S} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {6,S} {14,S} -5 C u0 p0 c0 {2,S} {6,D} {13,S} -6 C u0 p0 c0 {4,S} {5,D} {15,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {10,S} +2 *2 C u1 p0 c0 {1,S} {5,S} {11,S} +3 C u0 p0 c0 {1,S} {6,D} {12,S} +4 *3 C u0 p0 c0 {1,S} {9,D} {16,S} +5 C u0 p0 c0 {2,S} {7,D} {13,S} +6 C u0 p0 c0 {3,D} {7,S} {15,S} +7 C u0 p0 c0 {5,D} {6,S} {14,S} +8 C u0 p0 c0 {9,D} {17,S} {18,S} +9 C u0 p0 c0 {4,D} {8,D} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} 12 H u0 p0 c0 {3,S} 13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} - -C6H9-10 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} -3 C u0 p0 c0 {4,S} {6,S} {11,S} {12,S} -4 *2 C u1 p0 c0 {1,S} {3,S} {13,S} -5 C u0 p0 c0 {2,S} {6,D} {14,S} -6 C u0 p0 c0 {3,S} {5,D} {15,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {1,S} -10 *3 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} +14 H u0 p0 c0 {7,S} 15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {8,S} -HO2 -multiplicity 2 -1 O u0 p2 c0 {2,S} {3,S} -2 *3 O u1 p2 c0 {1,S} -3 H u0 p0 c0 {1,S} +SO2 +1 *2 S u0 p1 c0 {2,D} {3,D} +2 *1 O u0 p2 c0 {1,D} +3 O u0 p2 c0 {1,D} HOSO multiplicity 2 @@ -5930,195 +6012,64 @@ multiplicity 2 3 O u0 p2 c0 {1,D} 4 H u0 p0 c0 {2,S} -C7H9-21 -multiplicity 2 -1 C u0 p0 c0 {7,S} {8,S} {9,S} {10,S} -2 *3 C u0 p0 c0 {3,S} {4,S} {5,D} -3 C u0 p0 c0 {2,S} {6,D} {11,S} -4 *1 C u0 p0 c0 {2,S} {7,D} {12,S} -5 C u0 p0 c0 {2,D} {15,S} {16,S} -6 C u0 p0 c0 {3,D} {13,S} {14,S} -7 *2 C u1 p0 c0 {1,S} {4,D} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} - -C7H9-20 -multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {5,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {4,S} {6,D} -4 C u0 p0 c0 {3,S} {5,S} {7,D} -5 *2 C u1 p0 c0 {2,S} {4,S} {12,S} -6 C u0 p0 c0 {3,D} {15,S} {16,S} -7 C u0 p0 c0 {4,D} {13,S} {14,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {6,S} - -C7H9-23 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {4,D} {6,S} -4 *2 C u0 p0 c0 {1,S} {3,D} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {14,S} -6 C u1 p0 c0 {3,S} {7,S} {15,S} -7 C u0 p0 c0 {5,D} {6,S} {16,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +N2 +1 *1 N u0 p1 c0 {2,T} +2 *2 N u0 p1 c0 {1,T} -C7H9-22 +NNH multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} -4 C u0 p0 c0 {1,S} {6,S} {7,D} -5 C u0 p0 c0 {3,S} {6,D} {14,S} -6 C u0 p0 c0 {4,S} {5,D} {13,S} -7 C u0 p0 c0 {4,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *1 N u0 p1 c0 {2,D} {3,S} +2 *2 N u1 p1 c0 {1,D} +3 *3 H u0 p0 c0 {1,S} -C7H9-25 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {6,D} {7,S} -4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {14,S} -6 C u0 p0 c0 {3,D} {4,S} {15,S} -7 C u0 p0 c0 {3,S} {5,D} {16,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +C2H2O-2 +1 O u0 p2 c0 {3,D} +2 *1 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *2 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} -C7H9-24 +C2H3O multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 *2 C u0 p0 c0 {1,S} {2,S} {5,D} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,D} {7,S} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u1 p0 c0 {5,S} {6,S} {14,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +1 O u0 p2 c0 {3,D} +2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *2 C u1 p0 c0 {1,D} {2,S} +4 *3 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} -C7H9-27 +C2H3O-2 multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {5,S} -4 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,S} {7,D} {16,S} -6 C u0 p0 c0 {4,D} {7,S} {14,S} -7 C u0 p0 c0 {5,D} {6,S} {15,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} +1 O u0 p2 c0 {3,D} +2 *2 C u1 p0 c0 {3,S} {5,S} {6,S} +3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} +4 *3 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} -C7H9-26 +C2H3O-3 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 C u0 p0 c0 {1,S} {5,D} {12,S} -4 *2 C u0 p0 c0 {1,S} {6,D} {13,S} -5 C u0 p0 c0 {3,D} {7,S} {15,S} -6 C u0 p0 c0 {4,D} {7,S} {16,S} -7 C u1 p0 c0 {5,S} {6,S} {14,S} -8 *3 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {7,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {6,S} +1 *2 O u1 p2 c0 {3,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,S} {2,D} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 *3 H u0 p0 c0 {3,S} -C7H9-29 -multiplicity 2 -1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {2,S} {4,D} {6,S} -4 C u0 p0 c0 {1,S} {3,D} {13,S} -5 *2 C u1 p0 c0 {1,S} {7,S} {14,S} -6 C u0 p0 c0 {3,S} {7,D} {16,S} -7 C u0 p0 c0 {5,S} {6,D} {15,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {6,S} +C2H2O-3 +1 *2 O u0 p2 c0 {3,D} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,D} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} -C7H9-28 -multiplicity 2 -1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} -2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {1,S} {2,S} {5,D} -4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} -5 C u0 p0 c0 {3,D} {7,S} {16,S} -6 C u0 p0 c0 {4,S} {7,D} {14,S} -7 C u0 p0 c0 {5,S} {6,D} {15,S} -8 H u0 p0 c0 {1,S} -9 *3 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {5,S} +C4H2 +1 *2 C u0 p0 c0 {2,S} {3,T} +2 C u0 p0 c0 {1,S} {4,T} +3 *1 C u0 p0 c0 {1,T} {5,S} +4 C u0 p0 c0 {2,T} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} C4H3 multiplicity 2 @@ -6130,221 +6081,248 @@ multiplicity 2 6 H u0 p0 c0 {1,S} 7 H u0 p0 c0 {4,S} -C4H2 -1 *2 C u0 p0 c0 {2,S} {3,T} -2 C u0 p0 c0 {1,S} {4,T} -3 *1 C u0 p0 c0 {1,T} {5,S} -4 C u0 p0 c0 {2,T} {6,S} -5 H u0 p0 c0 {3,S} -6 H u0 p0 c0 {4,S} +C4H2-2 +1 *1 C u0 p0 c0 {2,S} {3,T} +2 C u0 p0 c0 {1,S} {4,T} +3 *2 C u0 p0 c0 {1,T} {5,S} +4 C u0 p0 c0 {2,T} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} + +C4H3-2 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 C u0 p0 c0 {1,S} {4,T} +3 *2 C u1 p0 c0 {1,D} {6,S} +4 C u0 p0 c0 {2,T} {7,S} +5 *3 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C4H4-5 +1 *2 C u0 p0 c0 {2,S} {3,S} {4,D} +2 C u0 p0 c0 {1,S} {3,D} {5,S} +3 C u0 p0 c0 {1,S} {2,D} {6,S} +4 *1 C u0 p0 c0 {1,D} {7,S} {8,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +C4H5-3 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 C u0 p0 c0 {2,S} {4,D} {8,S} +4 C u0 p0 c0 {2,S} {3,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} + +C4H4-6 +1 C u0 p0 c0 {2,S} {3,S} {4,D} +2 *1 C u0 p0 c0 {1,S} {3,D} {5,S} +3 *2 C u0 p0 c0 {1,S} {2,D} {6,S} +4 C u0 p0 c0 {1,D} {7,S} {8,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} + +C4H5-4 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {4,D} +3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +4 C u0 p0 c0 {2,D} {8,S} {9,S} +5 H u0 p0 c0 {1,S} +6 *3 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C4H5 +C4H4-7 +1 C u0 p0 c0 {3,D} {5,S} {6,S} +2 C u0 p0 c0 {4,D} {7,S} {8,S} +3 *1 C u0 p0 c0 {1,D} {4,D} +4 *2 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C4H5-5 multiplicity 2 -1 C u0 p0 c0 {2,D} {4,S} {5,S} +1 *1 C u0 p0 c0 {2,D} {4,S} {5,S} 2 C u0 p0 c0 {1,D} {6,S} {7,S} 3 C u0 p0 c0 {4,D} {8,S} {9,S} -4 *3 C u1 p0 c0 {1,S} {3,D} -5 H u0 p0 c0 {1,S} +4 *2 C u1 p0 c0 {1,S} {3,D} +5 *3 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} 8 H u0 p0 c0 {3,S} 9 H u0 p0 c0 {3,S} -C4H4 -1 *2 C u0 p0 c0 {2,D} {3,S} {5,S} -2 *1 C u0 p0 c0 {1,D} {6,S} {7,S} -3 C u0 p0 c0 {1,S} {4,T} -4 C u0 p0 c0 {3,T} {8,S} +C4H5-6 +multiplicity 2 +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {6,S} {7,S} +3 *1 C u0 p0 c0 {4,D} {8,S} {9,S} +4 *2 C u1 p0 c0 {1,S} {3,D} 5 H u0 p0 c0 {1,S} 6 H u0 p0 c0 {2,S} 7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {3,S} +9 *3 H u0 p0 c0 {3,S} -C4H7 +C4H5-7 multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} -2 C u0 p0 c0 {1,S} {3,S} {4,D} -3 *3 C u1 p0 c0 {2,S} {10,S} {11,S} -4 C u0 p0 c0 {2,D} {8,S} {9,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {1,S} -8 H u0 p0 c0 {4,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {3,S} +1 C u0 p0 c0 {2,S} {3,D} {5,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 *3 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} -C4H6 -1 *2 C u0 p0 c0 {2,S} {3,D} {5,S} -2 C u0 p0 c0 {1,S} {4,D} {6,S} -3 *1 C u0 p0 c0 {1,D} {7,S} {8,S} -4 C u0 p0 c0 {2,D} {9,S} {10,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {3,S} -8 H u0 p0 c0 {3,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {4,S} +C4H5-8 +multiplicity 2 +1 *3 C u0 p0 c0 {2,S} {3,D} {5,S} +2 *1 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {2,D} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} -C7H11-4 +C4H5-9 multiplicity 2 -1 C u0 p0 c0 {5,S} {6,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {5,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {5,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {6,S} {15,S} {16,S} {17,S} -5 *2 C u1 p0 c0 {1,S} {2,S} {3,S} -6 C u0 p0 c0 {1,S} {4,S} {7,D} -7 C u0 p0 c0 {2,S} {6,D} {18,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 *3 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {4,S} -18 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *2 C u1 p0 c0 {1,S} {3,S} {8,S} +3 C u0 p0 c0 {2,S} {4,T} +4 C u0 p0 c0 {3,T} {9,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} -C7H11-5 +C4H4-8 +1 *1 C u0 p0 c0 {3,D} {5,S} {6,S} +2 C u0 p0 c0 {4,D} {7,S} {8,S} +3 *2 C u0 p0 c0 {1,D} {4,D} +4 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C4H5-10 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {4,S} {8,S} {9,S} -2 *1 C u0 p0 c0 {1,S} {7,S} {10,S} {11,S} -3 C u0 p0 c0 {4,S} {12,S} {13,S} {14,S} -4 C u0 p0 c0 {1,S} {3,S} {5,D} -5 C u0 p0 c0 {4,D} {15,S} {16,S} -6 C u0 p0 c0 {7,D} {17,S} {18,S} -7 *2 C u1 p0 c0 {2,S} {6,D} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {5,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {4,D} {8,S} {9,S} +3 *2 C u1 p0 c0 {1,S} {4,D} +4 C u0 p0 c0 {2,D} {3,D} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 *3 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} -C7H9-4 +C4H5-11 multiplicity 2 -1 C u0 p0 c0 {3,S} {4,S} {6,S} {8,S} -2 *1 C u0 p0 c0 {3,S} {5,S} {9,S} {10,S} -3 *2 C u1 p0 c0 {1,S} {2,S} {11,S} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {2,S} {4,D} {14,S} -6 C u0 p0 c0 {1,S} {7,D} {13,S} -7 C u0 p0 c0 {6,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {6,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *2 C u1 p0 c0 {1,S} {7,S} {8,S} +3 C u0 p0 c0 {1,S} {4,T} +4 C u0 p0 c0 {3,T} {9,S} +5 H u0 p0 c0 {1,S} +6 *3 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {4,S} -C7H9-5 +C3H5O-2 multiplicity 2 -1 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 O u0 p2 c0 {4,D} +2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *3 C u0 p0 c0 {2,S} {7,S} {8,S} {9,S} +4 *2 C u1 p0 c0 {1,D} {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} -C7H9-2 +C3H5O-3 multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {7,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {5,D} {11,S} -4 C u0 p0 c0 {1,S} {6,D} {12,S} -5 C u0 p0 c0 {3,D} {6,S} {13,S} -6 C u0 p0 c0 {4,D} {5,S} {14,S} -7 *2 C u1 p0 c0 {2,S} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {5,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 O u0 p2 c0 {3,D} +2 *3 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,D} {2,S} {4,S} +4 *2 C u1 p0 c0 {3,S} {8,S} {9,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {4,S} -C7H9-3 +OH multiplicity 2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {8,S} -2 *1 C u0 p0 c0 {1,S} {4,S} {9,S} {10,S} -3 C u0 p0 c0 {1,S} {6,D} {11,S} -4 *2 C u1 p0 c0 {2,S} {6,S} {13,S} -5 C u0 p0 c0 {1,S} {7,D} {12,S} -6 C u0 p0 c0 {3,D} {4,S} {14,S} -7 C u0 p0 c0 {5,D} {15,S} {16,S} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} -10 *3 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {3,S} -12 H u0 p0 c0 {5,S} -13 H u0 p0 c0 {4,S} -14 H u0 p0 c0 {6,S} -15 H u0 p0 c0 {7,S} -16 H u0 p0 c0 {7,S} +1 *3 O u1 p2 c0 {2,S} +2 H u0 p0 c0 {1,S} -C7H11-2 +C3H5O-4 multiplicity 2 -1 C u0 p0 c0 {2,S} {5,S} {10,S} {11,S} -2 C u0 p0 c0 {1,S} {6,S} {8,S} {9,S} -3 *1 C u0 p0 c0 {5,S} {6,S} {12,S} {13,S} -4 C u0 p0 c0 {5,S} {14,S} {15,S} {16,S} -5 *2 C u1 p0 c0 {1,S} {3,S} {4,S} -6 C u0 p0 c0 {2,S} {3,S} {7,D} -7 C u0 p0 c0 {6,D} {17,S} {18,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {3,S} -13 *3 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {4,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} +1 *3 O u0 p2 c0 {3,S} {9,S} +2 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +4 *2 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {1,S} -C7H11-3 +C3H5O-5 multiplicity 2 -1 *3 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} -2 C u0 p0 c0 {4,S} {10,S} {11,S} {12,S} -3 C u0 p0 c0 {7,S} {13,S} {14,S} {15,S} -4 C u0 p0 c0 {1,S} {2,S} {6,D} -5 *1 C u0 p0 c0 {1,S} {7,D} {16,S} -6 C u0 p0 c0 {4,D} {17,S} {18,S} -7 *2 C u1 p0 c0 {3,S} {5,D} -8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {2,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {3,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {5,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {6,S} +1 *3 O u0 p2 c0 {3,S} {9,S} +2 C u0 p0 c0 {3,S} {5,S} {6,S} {7,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *2 C u1 p0 c0 {3,D} {8,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {1,S} + +C3H5O-6 +multiplicity 2 +1 *3 O u0 p2 c0 {2,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {4,D} {7,S} {8,S} +4 *2 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {1,S} + +C3H5O-7 +multiplicity 2 +1 *3 O u0 p2 c0 {2,S} {9,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,D} +3 *2 C u1 p0 c0 {2,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {7,S} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {4,S} +9 H u0 p0 c0 {1,S} C7H7-4 multiplicity 2 @@ -6363,6 +6341,21 @@ multiplicity 2 13 *3 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} +C7H6-2 +1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} +2 C u0 p0 c0 {1,S} {4,D} {6,S} +3 C u0 p0 c0 {1,S} {5,D} {10,S} +4 C u0 p0 c0 {2,D} {5,S} {11,S} +5 C u0 p0 c0 {3,D} {4,S} {12,S} +6 *1 C u0 p0 c0 {2,S} {7,T} +7 *2 C u0 p0 c0 {6,T} {13,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {3,S} +11 H u0 p0 c0 {4,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {7,S} + C7H7-5 multiplicity 2 1 *1 C u0 p0 c0 {2,S} {3,S} {8,S} {9,S} @@ -6380,85 +6373,92 @@ multiplicity 2 13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {6,S} -C7H9-8 +C7H6-3 +1 C u0 p0 c0 {2,S} {3,S} {7,D} +2 *1 C u0 p0 c0 {1,S} {4,D} {8,S} +3 C u0 p0 c0 {1,S} {5,D} {9,S} +4 *2 C u0 p0 c0 {2,D} {5,S} {10,S} +5 C u0 p0 c0 {3,D} {4,S} {11,S} +6 C u0 p0 c0 {7,D} {12,S} {13,S} +7 C u0 p0 c0 {1,D} {6,D} +8 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {5,S} +12 H u0 p0 c0 {6,S} +13 H u0 p0 c0 {6,S} + +C7H8-14 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 *1 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 *2 C u0 p0 c0 {3,B} {6,B} {12,S} +6 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} +14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} + +C7H9-28 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} -2 *3 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} -3 *2 C u1 p0 c0 {1,S} {6,S} {13,S} -4 C u0 p0 c0 {1,S} {5,D} {12,S} -5 C u0 p0 c0 {4,D} {7,S} {14,S} -6 C u0 p0 c0 {3,S} {7,D} {15,S} -7 C u0 p0 c0 {5,S} {6,D} {16,S} +1 *1 C u0 p0 c0 {3,S} {4,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {1,S} {2,S} {5,D} +4 *2 C u1 p0 c0 {1,S} {6,S} {13,S} +5 C u0 p0 c0 {3,D} {7,S} {16,S} +6 C u0 p0 c0 {4,S} {7,D} {14,S} +7 C u0 p0 c0 {5,S} {6,D} {15,S} 8 H u0 p0 c0 {1,S} -9 H u0 p0 c0 {2,S} +9 *3 H u0 p0 c0 {1,S} 10 H u0 p0 c0 {2,S} 11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {4,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {5,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {6,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {5,S} -C7H7-3 -multiplicity 2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {8,S} -3 C u0 p0 c0 {1,B} {6,B} {12,S} -4 C u0 p0 c0 {2,B} {5,B} {9,S} -5 C u0 p0 c0 {4,B} {6,B} {10,S} -6 C u0 p0 c0 {3,B} {5,B} {11,S} -7 *3 C u1 p0 c0 {1,S} {13,S} {14,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {4,S} -10 H u0 p0 c0 {5,S} -11 H u0 p0 c0 {6,S} -12 H u0 p0 c0 {3,S} -13 H u0 p0 c0 {7,S} +C7H8-15 +1 C u0 p0 c0 {2,S} {8,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {3,B} {4,B} +3 C u0 p0 c0 {2,B} {5,B} {11,S} +4 C u0 p0 c0 {2,B} {7,B} {15,S} +5 *1 C u0 p0 c0 {3,B} {6,B} {12,S} +6 *2 C u0 p0 c0 {5,B} {7,B} {13,S} +7 C u0 p0 c0 {4,B} {6,B} {14,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {3,S} +12 H u0 p0 c0 {5,S} +13 H u0 p0 c0 {6,S} 14 H u0 p0 c0 {7,S} +15 H u0 p0 c0 {4,S} -butene1_2 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 *1 C u0 p0 c0 {1,S} {4,D} {10,S} -4 *2 C u0 p0 c0 {3,D} {11,S} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} - -C8H6-2 -1 C u0 p0 c0 {2,B} {3,B} {7,S} -2 C u0 p0 c0 {1,B} {4,B} {9,S} -3 C u0 p0 c0 {1,B} {6,B} {13,S} -4 C u0 p0 c0 {2,B} {5,B} {10,S} -5 C u0 p0 c0 {4,B} {6,B} {11,S} -6 C u0 p0 c0 {3,B} {5,B} {12,S} -7 *2 C u0 p0 c0 {1,S} {8,T} -8 *1 C u0 p0 c0 {7,T} {14,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {4,S} -11 H u0 p0 c0 {5,S} -12 H u0 p0 c0 {6,S} -13 H u0 p0 c0 {3,S} -14 H u0 p0 c0 {8,S} - -butene1_1 -1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} -3 *2 C u0 p0 c0 {1,S} {4,D} {10,S} -4 *1 C u0 p0 c0 {3,D} {11,S} {12,S} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} -9 H u0 p0 c0 {2,S} -10 H u0 p0 c0 {3,S} -11 H u0 p0 c0 {4,S} -12 H u0 p0 c0 {4,S} +C7H9-29 +multiplicity 2 +1 *1 C u0 p0 c0 {4,S} {5,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {10,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {4,D} {6,S} +4 C u0 p0 c0 {1,S} {3,D} {13,S} +5 *2 C u1 p0 c0 {1,S} {7,S} {14,S} +6 C u0 p0 c0 {3,S} {7,D} {16,S} +7 C u0 p0 c0 {5,S} {6,D} {15,S} +8 H u0 p0 c0 {1,S} +9 *3 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {5,S} +15 H u0 p0 c0 {7,S} +16 H u0 p0 c0 {6,S} C3H7 multiplicity 2 @@ -83754,6 +83754,36 @@ multiplicity 2 11 H u0 p0 c0 {5,S} 12 H u0 p0 c0 {7,S} +C12H16-1 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {5,S} {18,S} {19,S} +5 C u0 p0 c0 {4,S} {8,S} {20,S} {21,S} +6 C u0 p0 c0 {3,S} {22,S} {23,S} {24,S} +7 *1 C u0 p0 c0 {1,S} {8,B} {9,B} +8 *2 C u0 p0 c0 {5,S} {7,B} {10,B} +9 C u0 p0 c0 {7,B} {11,B} {27,S} +10 C u0 p0 c0 {8,B} {12,B} {28,S} +11 C u0 p0 c0 {9,B} {12,B} {25,S} +12 C u0 p0 c0 {10,B} {11,B} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {6,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {6,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {10,S} + C12H17-63 multiplicity 2 1 C u0 p0 c0 {2,S} {3,S} {4,S} {13,S} @@ -83786,13 +83816,13 @@ multiplicity 2 28 H u0 p0 c0 {12,S} 29 H u0 p0 c0 {10,S} -C12H16-1 +C12H16-2 1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} -3 C u0 p0 c0 {1,S} {6,S} {16,S} {17,S} -4 C u0 p0 c0 {2,S} {5,S} {18,S} {19,S} -5 C u0 p0 c0 {4,S} {8,S} {20,S} {21,S} -6 C u0 p0 c0 {3,S} {22,S} {23,S} {24,S} +2 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 C u0 p0 c0 {2,S} {6,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {8,S} {20,S} {21,S} +6 C u0 p0 c0 {4,S} {22,S} {23,S} {24,S} 7 *1 C u0 p0 c0 {1,S} {8,B} {9,B} 8 *2 C u0 p0 c0 {5,S} {7,B} {10,B} 9 C u0 p0 c0 {7,B} {11,B} {27,S} @@ -83800,10 +83830,10 @@ C12H16-1 11 C u0 p0 c0 {9,B} {12,B} {25,S} 12 C u0 p0 c0 {10,B} {11,B} {26,S} 13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} 18 H u0 p0 c0 {4,S} 19 H u0 p0 c0 {4,S} 20 H u0 p0 c0 {5,S} @@ -83848,19 +83878,19 @@ multiplicity 2 28 H u0 p0 c0 {12,S} 29 H u0 p0 c0 {10,S} -C12H16-2 -1 C u0 p0 c0 {2,S} {3,S} {7,S} {13,S} -2 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} -3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} -4 C u0 p0 c0 {2,S} {6,S} {18,S} {19,S} -5 C u0 p0 c0 {3,S} {8,S} {20,S} {21,S} -6 C u0 p0 c0 {4,S} {22,S} {23,S} {24,S} -7 *1 C u0 p0 c0 {1,S} {8,B} {9,B} -8 *2 C u0 p0 c0 {5,S} {7,B} {10,B} -9 C u0 p0 c0 {7,B} {11,B} {27,S} -10 C u0 p0 c0 {8,B} {12,B} {28,S} -11 C u0 p0 c0 {9,B} {12,B} {25,S} -12 C u0 p0 c0 {10,B} {11,B} {26,S} +C12H14-3 +1 C u0 p0 c0 {2,S} {5,S} {7,S} {13,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {4,S} {14,S} {15,S} +4 C u0 p0 c0 {3,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {6,B} {9,B} +6 C u0 p0 c0 {5,B} {8,S} {10,B} +7 *1 C u0 p0 c0 {1,S} {8,D} {21,S} +8 *2 C u0 p0 c0 {6,S} {7,D} {22,S} +9 C u0 p0 c0 {5,B} {12,B} {26,S} +10 C u0 p0 c0 {6,B} {11,B} {23,S} +11 C u0 p0 c0 {10,B} {12,B} {24,S} +12 C u0 p0 c0 {9,B} {11,B} {25,S} 13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {3,S} 15 H u0 p0 c0 {3,S} @@ -83868,881 +83898,851 @@ C12H16-2 17 H u0 p0 c0 {2,S} 18 H u0 p0 c0 {4,S} 19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {9,S} + +C12H15-74 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {6,S} {13,S} +2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} +3 C u0 p0 c0 {2,S} {5,S} {14,S} {15,S} +4 *1 C u0 p0 c0 {1,S} {8,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {20,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {7,B} {9,B} +7 C u0 p0 c0 {6,B} {8,S} {10,B} +8 *2 C u1 p0 c0 {4,S} {7,S} {23,S} +9 C u0 p0 c0 {6,B} {12,B} {27,S} +10 C u0 p0 c0 {7,B} {11,B} {24,S} +11 C u0 p0 c0 {10,B} {12,B} {25,S} +12 C u0 p0 c0 {9,B} {11,B} {26,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 *3 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} 20 H u0 p0 c0 {5,S} 21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} 25 H u0 p0 c0 {11,S} 26 H u0 p0 c0 {12,S} 27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {10,S} -C12H14-3 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 C u0 p0 c0 {2,S} {4,S} {18,S} {19,S} -4 C u0 p0 c0 {3,S} {5,S} {12,S} {20,S} -5 *1 C u0 p0 c0 {4,S} {6,D} {21,S} -6 *2 C u0 p0 c0 {5,D} {7,S} {22,S} -7 C u0 p0 c0 {6,S} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {23,S} -9 C u0 p0 c0 {8,B} {10,B} {24,S} -10 C u0 p0 c0 {9,B} {11,B} {25,S} -11 C u0 p0 c0 {10,B} {12,B} {26,S} -12 C u0 p0 c0 {4,S} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} +C12H14-4 +1 C u0 p0 c0 {3,S} {6,S} {17,S} {18,S} +2 C u0 p0 c0 {4,S} {5,S} {13,S} {14,S} +3 C u0 p0 c0 {1,S} {8,S} {15,S} {16,S} +4 C u0 p0 c0 {2,S} {19,S} {20,S} {21,S} +5 *2 C u0 p0 c0 {2,S} {7,S} {8,D} +6 C u0 p0 c0 {1,S} {7,B} {9,B} +7 C u0 p0 c0 {5,S} {6,B} {10,B} +8 *1 C u0 p0 c0 {3,S} {5,D} {22,S} +9 C u0 p0 c0 {6,B} {11,B} {23,S} +10 C u0 p0 c0 {7,B} {12,B} {26,S} +11 C u0 p0 c0 {9,B} {12,B} {24,S} +12 C u0 p0 c0 {10,B} {11,B} {25,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {1,S} +18 H u0 p0 c0 {1,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {9,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {10,S} -C12H15-74 +C12H15-75 multiplicity 2 -1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} -3 C u0 p0 c0 {2,S} {4,S} {19,S} {20,S} -4 C u0 p0 c0 {3,S} {5,S} {13,S} {21,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {22,S} {23,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 C u0 p0 c0 {6,S} {9,B} {13,B} -9 C u0 p0 c0 {8,B} {10,B} {24,S} -10 C u0 p0 c0 {9,B} {11,B} {25,S} -11 C u0 p0 c0 {10,B} {12,B} {26,S} -12 C u0 p0 c0 {11,B} {13,B} {27,S} -13 C u0 p0 c0 {4,S} {8,B} {12,B} +1 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +2 *1 C u0 p0 c0 {1,S} {6,S} {17,S} {18,S} +3 C u0 p0 c0 {1,S} {7,S} {19,S} {20,S} +4 C u0 p0 c0 {5,S} {6,S} {15,S} {16,S} +5 C u0 p0 c0 {4,S} {21,S} {22,S} {23,S} +6 *2 C u1 p0 c0 {2,S} {4,S} {8,S} +7 C u0 p0 c0 {3,S} {8,B} {9,B} +8 C u0 p0 c0 {6,S} {7,B} {10,B} +9 C u0 p0 c0 {7,B} {11,B} {24,S} +10 C u0 p0 c0 {8,B} {12,B} {27,S} +11 C u0 p0 c0 {9,B} {12,B} {25,S} +12 C u0 p0 c0 {10,B} {11,B} {26,S} +13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {4,S} +16 H u0 p0 c0 {4,S} +17 *3 H u0 p0 c0 {2,S} 18 H u0 p0 c0 {2,S} 19 H u0 p0 c0 {3,S} 20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {4,S} -22 *3 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {5,S} +22 H u0 p0 c0 {5,S} 23 H u0 p0 c0 {5,S} 24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {10,S} -C12H14-4 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *2 C u0 p0 c0 {2,S} {4,D} {12,S} -4 *1 C u0 p0 c0 {3,D} {5,S} {18,S} -5 C u0 p0 c0 {4,S} {6,S} {19,S} {20,S} -6 C u0 p0 c0 {5,S} {7,S} {21,S} {22,S} -7 C u0 p0 c0 {6,S} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {23,S} -9 C u0 p0 c0 {8,B} {10,B} {24,S} -10 C u0 p0 c0 {9,B} {11,B} {25,S} -11 C u0 p0 c0 {10,B} {12,B} {26,S} -12 C u0 p0 c0 {3,S} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} +C12H14-5 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {14,S} {15,S} +3 C u0 p0 c0 {1,S} {7,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {18,S} {19,S} {20,S} +5 C u0 p0 c0 {1,S} {6,B} {9,B} +6 C u0 p0 c0 {5,B} {8,S} {10,B} +7 *1 C u0 p0 c0 {3,S} {8,D} {21,S} +8 *2 C u0 p0 c0 {6,S} {7,D} {22,S} +9 C u0 p0 c0 {5,B} {12,B} {26,S} +10 C u0 p0 c0 {6,B} {11,B} {23,S} +11 C u0 p0 c0 {10,B} {12,B} {24,S} +12 C u0 p0 c0 {9,B} {11,B} {25,S} +13 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {4,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {8,S} +23 H u0 p0 c0 {10,S} +24 H u0 p0 c0 {11,S} +25 H u0 p0 c0 {12,S} +26 H u0 p0 c0 {9,S} -C12H15-75 +C12H15-76 multiplicity 2 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *2 C u1 p0 c0 {2,S} {4,S} {12,S} -4 *1 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} -5 C u0 p0 c0 {4,S} {6,S} {20,S} {21,S} -6 C u0 p0 c0 {5,S} {7,S} {22,S} {23,S} -7 C u0 p0 c0 {6,S} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {24,S} -9 C u0 p0 c0 {8,B} {10,B} {25,S} -10 C u0 p0 c0 {9,B} {11,B} {26,S} -11 C u0 p0 c0 {10,B} {12,B} {27,S} -12 C u0 p0 c0 {3,S} {7,B} {11,B} +1 C u0 p0 c0 {2,S} {3,S} {6,S} {13,S} +2 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {5,S} {14,S} {15,S} +4 *1 C u0 p0 c0 {2,S} {8,S} {18,S} {19,S} +5 C u0 p0 c0 {3,S} {20,S} {21,S} {22,S} +6 C u0 p0 c0 {1,S} {7,B} {9,B} +7 C u0 p0 c0 {6,B} {8,S} {10,B} +8 *2 C u1 p0 c0 {4,S} {7,S} {23,S} +9 C u0 p0 c0 {6,B} {12,B} {27,S} +10 C u0 p0 c0 {7,B} {11,B} {24,S} +11 C u0 p0 c0 {10,B} {12,B} {25,S} +12 C u0 p0 c0 {9,B} {11,B} {26,S} 13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {2,S} 17 H u0 p0 c0 {2,S} 18 *3 H u0 p0 c0 {4,S} 19 H u0 p0 c0 {4,S} 20 H u0 p0 c0 {5,S} 21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {6,S} -24 H u0 p0 c0 {8,S} -25 H u0 p0 c0 {9,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {5,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {11,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {9,S} -C12H14-5 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 C u0 p0 c0 {2,S} {4,S} {12,S} {18,S} -4 C u0 p0 c0 {3,S} {5,S} {19,S} {20,S} -5 *1 C u0 p0 c0 {4,S} {6,D} {21,S} -6 *2 C u0 p0 c0 {5,D} {7,S} {22,S} -7 C u0 p0 c0 {6,S} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {23,S} -9 C u0 p0 c0 {8,B} {10,B} {24,S} -10 C u0 p0 c0 {9,B} {11,B} {25,S} -11 C u0 p0 c0 {10,B} {12,B} {26,S} -12 C u0 p0 c0 {3,S} {7,B} {11,B} +C12H12-5 +1 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +3 *1 C u0 p0 c0 {1,S} {4,B} {6,B} +4 *2 C u0 p0 c0 {3,B} {5,B} {9,B} +5 C u0 p0 c0 {4,B} {7,B} {8,B} +6 C u0 p0 c0 {3,B} {10,B} {18,S} +7 C u0 p0 c0 {5,B} {10,B} {20,S} +8 C u0 p0 c0 {5,B} {11,B} {21,S} +9 C u0 p0 c0 {4,B} {12,B} {24,S} +10 C u0 p0 c0 {6,B} {7,B} {19,S} +11 C u0 p0 c0 {8,B} {12,B} {22,S} +12 C u0 p0 c0 {9,B} {11,B} {23,S} 13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} 16 H u0 p0 c0 {2,S} 17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {6,S} -23 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} 24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} -C12H15-76 +C12H13-53 multiplicity 2 -1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} -3 C u0 p0 c0 {2,S} {4,S} {13,S} {19,S} -4 C u0 p0 c0 {3,S} {5,S} {20,S} {21,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {22,S} {23,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 C u0 p0 c0 {6,S} {9,B} {13,B} -9 C u0 p0 c0 {8,B} {10,B} {24,S} -10 C u0 p0 c0 {9,B} {11,B} {25,S} -11 C u0 p0 c0 {10,B} {12,B} {26,S} -12 C u0 p0 c0 {11,B} {13,B} {27,S} -13 C u0 p0 c0 {3,S} {8,B} {12,B} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {4,S} -22 *3 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {5,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {12,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {6,S} {13,S} +2 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} +3 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} +4 *2 C u1 p0 c0 {1,S} {5,S} {7,S} +5 C u0 p0 c0 {4,S} {8,D} {9,S} +6 C u0 p0 c0 {1,S} {10,D} {19,S} +7 C u0 p0 c0 {4,S} {12,D} {25,S} +8 C u0 p0 c0 {5,D} {10,S} {21,S} +9 C u0 p0 c0 {5,S} {11,D} {22,S} +10 C u0 p0 c0 {6,D} {8,S} {20,S} +11 C u0 p0 c0 {9,D} {12,S} {23,S} +12 C u0 p0 c0 {7,D} {11,S} {24,S} +13 *3 H u0 p0 c0 {1,S} +14 H u0 p0 c0 {2,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {7,S} -C12H12-5 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *1 C u0 p0 c0 {2,S} {4,B} {12,B} -4 C u0 p0 c0 {3,B} {5,B} {18,S} -5 C u0 p0 c0 {4,B} {6,B} {19,S} -6 C u0 p0 c0 {5,B} {7,B} {20,S} -7 C u0 p0 c0 {6,B} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {21,S} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 *2 C u0 p0 c0 {3,B} {7,B} {11,B} +C12H12-6 +1 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +3 *2 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,B} {9,B} +5 C u0 p0 c0 {4,B} {7,B} {8,B} +6 *1 C u0 p0 c0 {3,B} {10,B} {18,S} +7 C u0 p0 c0 {5,B} {10,B} {20,S} +8 C u0 p0 c0 {5,B} {11,B} {21,S} +9 C u0 p0 c0 {4,B} {12,B} {24,S} +10 C u0 p0 c0 {6,B} {7,B} {19,S} +11 C u0 p0 c0 {8,B} {12,B} {22,S} +12 C u0 p0 c0 {9,B} {11,B} {23,S} 13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} 16 H u0 p0 c0 {2,S} 17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {7,S} 21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} - -C12H12-6 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *2 C u0 p0 c0 {2,S} {4,B} {12,B} -4 *1 C u0 p0 c0 {3,B} {5,B} {18,S} -5 C u0 p0 c0 {4,B} {6,B} {19,S} -6 C u0 p0 c0 {5,B} {7,B} {20,S} -7 C u0 p0 c0 {6,B} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {21,S} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {3,B} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} - -C12H12-7 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 C u0 p0 c0 {2,S} {4,B} {12,B} -4 C u0 p0 c0 {3,B} {5,B} {18,S} -5 *2 C u0 p0 c0 {4,B} {6,B} {19,S} -6 *1 C u0 p0 c0 {5,B} {7,B} {20,S} -7 C u0 p0 c0 {6,B} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {21,S} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {3,B} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} - -C12H12-8 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 C u0 p0 c0 {2,S} {4,B} {12,B} -4 C u0 p0 c0 {3,B} {5,B} {18,S} -5 *1 C u0 p0 c0 {4,B} {6,B} {19,S} -6 *2 C u0 p0 c0 {5,B} {7,B} {20,S} -7 C u0 p0 c0 {6,B} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {21,S} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {3,B} {7,B} {11,B} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {8,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {9,S} -C12H13-53 +C12H13-54 multiplicity 2 -1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} -3 *1 C u0 p0 c0 {2,S} {4,S} {13,S} {19,S} -4 C u0 p0 c0 {3,S} {5,S} {6,D} -5 H u0 p0 c0 {4,S} -6 C u0 p0 c0 {4,D} {7,S} {20,S} -7 C u0 p0 c0 {6,S} {8,D} {21,S} -8 C u0 p0 c0 {7,D} {9,S} {13,S} -9 C u0 p0 c0 {8,S} {10,D} {22,S} -10 C u0 p0 c0 {9,D} {11,S} {23,S} -11 C u0 p0 c0 {10,S} {12,D} {24,S} -12 C u0 p0 c0 {11,D} {13,S} {25,S} -13 *2 C u1 p0 c0 {3,S} {8,S} {12,S} +1 C u0 p0 c0 {3,S} {4,S} {13,S} {14,S} +2 *1 C u0 p0 c0 {4,S} {7,S} {15,S} {16,S} +3 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +4 *2 C u1 p0 c0 {1,S} {2,S} {5,S} +5 C u0 p0 c0 {4,S} {6,B} {10,B} +6 C u0 p0 c0 {5,B} {8,S} {9,B} +7 C u0 p0 c0 {2,S} {8,D} {20,S} +8 C u0 p0 c0 {6,S} {7,D} {21,S} +9 C u0 p0 c0 {6,B} {11,B} {22,S} +10 C u0 p0 c0 {5,B} {12,B} {25,S} +11 C u0 p0 c0 {9,B} {12,B} {23,S} +12 C u0 p0 c0 {10,B} {11,B} {24,S} +13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 *3 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} +15 *3 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} 22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {12,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {10,S} -C12H13-54 -multiplicity 2 -1 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} -2 C u0 p0 c0 {1,S} {3,S} {16,S} {17,S} -3 *2 C u1 p0 c0 {2,S} {4,S} {12,S} -4 *1 C u0 p0 c0 {3,S} {5,S} {18,S} {19,S} -5 C u0 p0 c0 {4,S} {6,D} {20,S} -6 C u0 p0 c0 {5,D} {7,S} {21,S} -7 C u0 p0 c0 {6,S} {8,B} {12,B} -8 C u0 p0 c0 {7,B} {9,B} {22,S} -9 C u0 p0 c0 {8,B} {10,B} {23,S} -10 C u0 p0 c0 {9,B} {11,B} {24,S} -11 C u0 p0 c0 {10,B} {12,B} {25,S} -12 C u0 p0 c0 {3,S} {7,B} {11,B} +C12H12-7 +1 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,B} {9,B} +5 C u0 p0 c0 {4,B} {7,B} {8,B} +6 C u0 p0 c0 {3,B} {10,B} {18,S} +7 *1 C u0 p0 c0 {5,B} {10,B} {20,S} +8 C u0 p0 c0 {5,B} {11,B} {21,S} +9 C u0 p0 c0 {4,B} {12,B} {24,S} +10 *2 C u0 p0 c0 {6,B} {7,B} {19,S} +11 C u0 p0 c0 {8,B} {12,B} {22,S} +12 C u0 p0 c0 {9,B} {11,B} {23,S} 13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} 16 H u0 p0 c0 {2,S} 17 H u0 p0 c0 {2,S} -18 *3 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {4,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {10,S} -25 H u0 p0 c0 {11,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {9,S} C12H13-55 multiplicity 2 -1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} -3 C u0 p0 c0 {2,S} {4,D} {13,S} -4 C u0 p0 c0 {3,D} {5,S} {19,S} -5 *2 C u1 p0 c0 {4,S} {6,S} {7,S} -6 H u0 p0 c0 {5,S} -7 *1 C u0 p0 c0 {5,S} {8,S} {20,S} {21,S} -8 C u0 p0 c0 {7,S} {9,B} {13,B} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {11,B} {13,B} {25,S} -13 C u0 p0 c0 {3,S} {8,B} {12,B} +1 C u0 p0 c0 {3,S} {4,S} {13,S} {14,S} +2 *1 C u0 p0 c0 {5,S} {7,S} {15,S} {16,S} +3 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +4 C u0 p0 c0 {1,S} {6,S} {8,D} +5 C u0 p0 c0 {2,S} {6,B} {9,B} +6 C u0 p0 c0 {4,S} {5,B} {10,B} +7 *2 C u1 p0 c0 {2,S} {8,S} {20,S} +8 C u0 p0 c0 {4,D} {7,S} {21,S} +9 C u0 p0 c0 {5,B} {11,B} {22,S} +10 C u0 p0 c0 {6,B} {12,B} {25,S} +11 C u0 p0 c0 {9,B} {12,B} {23,S} +12 C u0 p0 c0 {10,B} {11,B} {24,S} +13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {4,S} -20 *3 H u0 p0 c0 {7,S} -21 H u0 p0 c0 {7,S} +15 *3 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} 22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {12,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {10,S} -C12H13-56 -multiplicity 2 -1 C u0 p0 c0 {2,S} {14,S} {15,S} {16,S} -2 C u0 p0 c0 {1,S} {3,S} {17,S} {18,S} -3 C u0 p0 c0 {2,S} {4,D} {13,S} -4 C u0 p0 c0 {3,D} {5,S} {19,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {20,S} {21,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 C u0 p0 c0 {6,S} {9,B} {13,B} -9 C u0 p0 c0 {8,B} {10,B} {22,S} -10 C u0 p0 c0 {9,B} {11,B} {23,S} -11 C u0 p0 c0 {10,B} {12,B} {24,S} -12 C u0 p0 c0 {11,B} {13,B} {25,S} -13 C u0 p0 c0 {3,S} {8,B} {12,B} +C12H12-8 +1 C u0 p0 c0 {2,S} {3,S} {13,S} {14,S} +2 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +3 C u0 p0 c0 {1,S} {4,B} {6,B} +4 C u0 p0 c0 {3,B} {5,B} {9,B} +5 C u0 p0 c0 {4,B} {7,B} {8,B} +6 C u0 p0 c0 {3,B} {10,B} {18,S} +7 *2 C u0 p0 c0 {5,B} {10,B} {20,S} +8 C u0 p0 c0 {5,B} {11,B} {21,S} +9 C u0 p0 c0 {4,B} {12,B} {24,S} +10 *1 C u0 p0 c0 {6,B} {7,B} {19,S} +11 C u0 p0 c0 {8,B} {12,B} {22,S} +12 C u0 p0 c0 {9,B} {11,B} {23,S} +13 H u0 p0 c0 {1,S} 14 H u0 p0 c0 {1,S} -15 H u0 p0 c0 {1,S} -16 H u0 p0 c0 {1,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} 17 H u0 p0 c0 {2,S} -18 H u0 p0 c0 {2,S} -19 H u0 p0 c0 {4,S} -20 *3 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {9,S} -23 H u0 p0 c0 {10,S} -24 H u0 p0 c0 {11,S} -25 H u0 p0 c0 {12,S} +18 H u0 p0 c0 {6,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {9,S} -C9H13-76 +C12H13-56 multiplicity 2 -1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *3 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} -3 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {16,S} -4 *2 C u1 p0 c0 {3,S} {5,S} {6,S} -5 H u0 p0 c0 {4,S} -6 C u0 p0 c0 {4,S} {7,S} {8,D} -7 C u0 p0 c0 {6,S} {17,S} {18,S} {19,S} -8 C u0 p0 c0 {6,D} {9,S} {20,S} -9 C u0 p0 c0 {8,S} {10,D} {21,S} -10 C u0 p0 c0 {3,S} {9,D} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} +1 C u0 p0 c0 {3,S} {4,S} {13,S} {14,S} +2 *1 C u0 p0 c0 {7,S} {8,S} {15,S} {16,S} +3 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +4 C u0 p0 c0 {1,S} {5,S} {7,D} +5 C u0 p0 c0 {4,S} {6,B} {10,B} +6 C u0 p0 c0 {5,B} {8,S} {9,B} +7 C u0 p0 c0 {2,S} {4,D} {21,S} +8 *2 C u1 p0 c0 {2,S} {6,S} {20,S} +9 C u0 p0 c0 {6,B} {11,B} {22,S} +10 C u0 p0 c0 {5,B} {12,B} {25,S} +11 C u0 p0 c0 {9,B} {12,B} {23,S} +12 C u0 p0 c0 {10,B} {11,B} {24,S} 13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {7,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {1,S} +15 *3 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} 20 H u0 p0 c0 {8,S} -21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} +21 H u0 p0 c0 {7,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {12,S} +25 H u0 p0 c0 {10,S} -C9H13-77 +C9H13-76 multiplicity 2 -1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *3 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} -3 *1 C u0 p0 c0 {2,S} {4,S} {9,S} {16,S} -4 *2 C u1 p0 c0 {3,S} {5,S} {6,S} -5 H u0 p0 c0 {4,S} -6 C u0 p0 c0 {4,S} {7,D} {17,S} -7 C u0 p0 c0 {6,D} {8,S} {18,S} -8 C u0 p0 c0 {7,S} {9,D} {19,S} -9 C u0 p0 c0 {3,S} {8,D} {10,S} -10 C u0 p0 c0 {9,S} {20,S} {21,S} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {7,S} -19 H u0 p0 c0 {8,S} -20 H u0 p0 c0 {10,S} -21 H u0 p0 c0 {10,S} -22 H u0 p0 c0 {10,S} +1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {10,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {4,S} {6,S} {8,D} +6 *2 C u1 p0 c0 {1,S} {5,S} {19,S} +7 C u0 p0 c0 {1,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {9,S} {21,S} +9 C u0 p0 c0 {7,D} {8,S} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} -C9H13-78 +C9H13-77 multiplicity 2 -1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *3 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} -3 *1 C u0 p0 c0 {2,S} {4,S} {10,S} {16,S} -4 *2 C u1 p0 c0 {3,S} {5,S} {6,S} -5 H u0 p0 c0 {4,S} -6 C u0 p0 c0 {4,S} {7,D} {17,S} -7 C u0 p0 c0 {6,D} {8,S} {9,S} -8 C u0 p0 c0 {7,S} {18,S} {19,S} {20,S} -9 C u0 p0 c0 {7,S} {10,D} {21,S} -10 C u0 p0 c0 {3,S} {9,D} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {3,S} -17 H u0 p0 c0 {6,S} -18 H u0 p0 c0 {8,S} -19 H u0 p0 c0 {8,S} +1 *1 C u0 p0 c0 {2,S} {5,S} {6,S} {10,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {1,S} {4,S} {7,D} +6 *2 C u1 p0 c0 {1,S} {8,S} {19,S} +7 C u0 p0 c0 {5,D} {9,S} {22,S} +8 C u0 p0 c0 {6,S} {9,D} {20,S} +9 C u0 p0 c0 {7,S} {8,D} {21,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {6,S} 20 H u0 p0 c0 {8,S} 21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {7,S} -C9H13-79 +C9H13-78 multiplicity 2 -1 C u0 p0 c0 {2,S} {11,S} {12,S} {13,S} -2 *3 C u0 p0 c0 {1,S} {3,S} {14,S} {15,S} -3 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {10,S} -4 C u0 p0 c0 {3,S} {16,S} {17,S} {18,S} -5 *2 C u1 p0 c0 {3,S} {6,S} {7,S} -6 H u0 p0 c0 {5,S} -7 C u0 p0 c0 {5,S} {8,D} {19,S} -8 C u0 p0 c0 {7,D} {9,S} {20,S} -9 C u0 p0 c0 {8,S} {10,D} {21,S} -10 C u0 p0 c0 {3,S} {9,D} {22,S} -11 H u0 p0 c0 {1,S} -12 H u0 p0 c0 {1,S} -13 H u0 p0 c0 {1,S} -14 H u0 p0 c0 {2,S} -15 H u0 p0 c0 {2,S} +1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {10,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {11,S} {12,S} +3 C u0 p0 c0 {2,S} {13,S} {14,S} {15,S} +4 C u0 p0 c0 {5,S} {16,S} {17,S} {18,S} +5 C u0 p0 c0 {4,S} {8,D} {9,S} +6 *2 C u1 p0 c0 {1,S} {8,S} {19,S} +7 C u0 p0 c0 {1,S} {9,D} {20,S} +8 C u0 p0 c0 {5,D} {6,S} {21,S} +9 C u0 p0 c0 {5,S} {7,D} {22,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {3,S} +14 H u0 p0 c0 {3,S} +15 H u0 p0 c0 {3,S} 16 H u0 p0 c0 {4,S} 17 H u0 p0 c0 {4,S} 18 H u0 p0 c0 {4,S} -19 H u0 p0 c0 {7,S} -20 H u0 p0 c0 {8,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} +21 H u0 p0 c0 {8,S} +22 H u0 p0 c0 {9,S} + +C9H13-79 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {15,S} {16,S} {17,S} +4 C u0 p0 c0 {2,S} {12,S} {13,S} {14,S} +5 *2 C u1 p0 c0 {1,S} {7,S} {18,S} +6 C u0 p0 c0 {1,S} {8,D} {19,S} +7 C u0 p0 c0 {5,S} {9,D} {20,S} +8 C u0 p0 c0 {6,D} {9,S} {22,S} +9 C u0 p0 c0 {7,D} {8,S} {21,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {4,S} +13 H u0 p0 c0 {4,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {3,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {6,S} +20 H u0 p0 c0 {7,S} 21 H u0 p0 c0 {9,S} -22 H u0 p0 c0 {10,S} +22 H u0 p0 c0 {8,S} C14H15-40 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 *1 C u0 p0 c0 {3,S} {6,S} {9,S} {19,S} -6 C u0 p0 c0 {5,S} {7,D} {20,S} -7 C u0 p0 c0 {6,D} {8,S} {21,S} -8 C u0 p0 c0 {2,D} {7,S} {22,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {15,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +3 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {2,S} {9,B} {10,B} +5 C u0 p0 c0 {3,S} {6,S} {8,D} +6 *2 C u1 p0 c0 {1,S} {5,S} {21,S} +7 C u0 p0 c0 {1,S} {11,D} {22,S} +8 C u0 p0 c0 {5,D} {11,S} {24,S} +9 C u0 p0 c0 {4,B} {12,B} {25,S} +10 C u0 p0 c0 {4,B} {14,B} {29,S} +11 C u0 p0 c0 {7,D} {8,S} {23,S} +12 C u0 p0 c0 {9,B} {13,B} {26,S} +13 C u0 p0 c0 {12,B} {14,B} {27,S} +14 C u0 p0 c0 {10,B} {13,B} {28,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {8,S} +25 H u0 p0 c0 {9,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {10,S} C14H15-41 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,S} {19,S} -4 C u0 p0 c0 {3,S} {5,D} {20,S} -5 C u0 p0 c0 {4,D} {6,S} {21,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 *1 C u0 p0 c0 {2,S} {6,S} {9,S} {22,S} -9 *3 C u0 p0 c0 {8,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {6,S} {15,S} +2 *3 C u0 p0 c0 {1,S} {5,S} {16,S} {17,S} +3 C u0 p0 c0 {4,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {1,S} {3,S} {7,D} +5 C u0 p0 c0 {2,S} {8,B} {9,B} +6 *2 C u1 p0 c0 {1,S} {10,S} {21,S} +7 C u0 p0 c0 {4,D} {11,S} {22,S} +8 C u0 p0 c0 {5,B} {12,B} {25,S} +9 C u0 p0 c0 {5,B} {14,B} {29,S} +10 C u0 p0 c0 {6,S} {11,D} {24,S} +11 C u0 p0 c0 {7,S} {10,D} {23,S} +12 C u0 p0 c0 {8,B} {13,B} {26,S} +13 C u0 p0 c0 {12,B} {14,B} {27,S} +14 C u0 p0 c0 {9,B} {13,B} {28,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {9,S} C14H15-42 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 C u0 p0 c0 {2,S} {4,D} {19,S} -4 C u0 p0 c0 {3,D} {5,S} {20,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {9,S} {21,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 C u0 p0 c0 {2,D} {6,S} {22,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {4,S} -21 H u0 p0 c0 {5,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 *1 C u0 p0 c0 {2,S} {6,S} {7,S} {15,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {16,S} {17,S} +3 C u0 p0 c0 {5,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {2,S} {10,B} {11,B} +5 C u0 p0 c0 {3,S} {8,S} {9,D} +6 *2 C u1 p0 c0 {1,S} {9,S} {21,S} +7 C u0 p0 c0 {1,S} {8,D} {22,S} +8 C u0 p0 c0 {5,S} {7,D} {23,S} +9 C u0 p0 c0 {5,D} {6,S} {24,S} +10 C u0 p0 c0 {4,B} {12,B} {25,S} +11 C u0 p0 c0 {4,B} {14,B} {29,S} +12 C u0 p0 c0 {10,B} {13,B} {26,S} +13 C u0 p0 c0 {12,B} {14,B} {27,S} +14 C u0 p0 c0 {11,B} {13,B} {28,S} +15 H u0 p0 c0 {1,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {7,S} +23 H u0 p0 c0 {8,S} +24 H u0 p0 c0 {9,S} +25 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {11,S} C14H15-43 multiplicity 2 -1 C u0 p0 c0 {2,S} {16,S} {17,S} {18,S} -2 *1 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} -3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 C u0 p0 c0 {3,S} {6,D} {19,S} -6 C u0 p0 c0 {5,D} {7,S} {20,S} -7 C u0 p0 c0 {6,S} {8,D} {21,S} -8 C u0 p0 c0 {2,S} {7,D} {22,S} -9 *3 C u0 p0 c0 {2,S} {10,S} {23,S} {24,S} -10 C u0 p0 c0 {9,S} {11,D} {15,S} -11 C u0 p0 c0 {10,D} {12,S} {25,S} -12 C u0 p0 c0 {11,S} {13,D} {26,S} -13 C u0 p0 c0 {12,D} {14,S} {27,S} -14 C u0 p0 c0 {13,S} {15,D} {28,S} -15 C u0 p0 c0 {10,S} {14,D} {29,S} -16 H u0 p0 c0 {1,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {5,S} -20 H u0 p0 c0 {6,S} -21 H u0 p0 c0 {7,S} -22 H u0 p0 c0 {8,S} -23 H u0 p0 c0 {9,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {11,S} -26 H u0 p0 c0 {12,S} -27 H u0 p0 c0 {13,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {15,S} +1 *1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {15,S} {16,S} +3 C u0 p0 c0 {1,S} {17,S} {18,S} {19,S} +4 C u0 p0 c0 {2,S} {7,B} {8,B} +5 *2 C u1 p0 c0 {1,S} {9,S} {20,S} +6 C u0 p0 c0 {1,S} {10,D} {21,S} +7 C u0 p0 c0 {4,B} {12,B} {25,S} +8 C u0 p0 c0 {4,B} {14,B} {29,S} +9 C u0 p0 c0 {5,S} {11,D} {22,S} +10 C u0 p0 c0 {6,D} {11,S} {24,S} +11 C u0 p0 c0 {9,D} {10,S} {23,S} +12 C u0 p0 c0 {7,B} {13,B} {26,S} +13 C u0 p0 c0 {12,B} {14,B} {27,S} +14 C u0 p0 c0 {8,B} {13,B} {28,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {9,S} +23 H u0 p0 c0 {11,S} +24 H u0 p0 c0 {10,S} +25 H u0 p0 c0 {7,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {8,S} C15H17-45 multiplicity 2 -1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 *2 C u1 p0 c0 {2,S} {4,S} {5,S} -4 H u0 p0 c0 {3,S} -5 *1 C u0 p0 c0 {3,S} {6,S} {9,S} {20,S} -6 C u0 p0 c0 {5,S} {7,D} {21,S} -7 C u0 p0 c0 {6,D} {8,S} {22,S} -8 C u0 p0 c0 {2,D} {7,S} {23,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {11,S} {24,S} -10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -11 C u0 p0 c0 {9,S} {12,D} {16,S} -12 C u0 p0 c0 {11,D} {13,S} {28,S} -13 C u0 p0 c0 {12,S} {14,D} {29,S} -14 C u0 p0 c0 {13,D} {15,S} {30,S} -15 C u0 p0 c0 {14,S} {16,D} {31,S} -16 C u0 p0 c0 {11,S} {15,D} {32,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {1,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {7,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {13,S} -30 H u0 p0 c0 {14,S} -31 H u0 p0 c0 {15,S} -32 H u0 p0 c0 {16,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {16,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {17,S} +3 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {1,S} {10,B} {11,B} +6 C u0 p0 c0 {4,S} {7,S} {9,D} +7 *2 C u1 p0 c0 {2,S} {6,S} {24,S} +8 C u0 p0 c0 {2,S} {12,D} {25,S} +9 C u0 p0 c0 {6,D} {12,S} {27,S} +10 C u0 p0 c0 {5,B} {13,B} {28,S} +11 C u0 p0 c0 {5,B} {15,B} {32,S} +12 C u0 p0 c0 {8,D} {9,S} {26,S} +13 C u0 p0 c0 {10,B} {14,B} {29,S} +14 C u0 p0 c0 {13,B} {15,B} {30,S} +15 C u0 p0 c0 {11,B} {14,B} {31,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {10,S} +29 H u0 p0 c0 {13,S} +30 H u0 p0 c0 {14,S} +31 H u0 p0 c0 {15,S} +32 H u0 p0 c0 {11,S} C15H17-46 multiplicity 2 -1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -2 C u0 p0 c0 {1,S} {3,D} {8,S} -3 C u0 p0 c0 {2,D} {4,S} {20,S} -4 C u0 p0 c0 {3,S} {5,D} {21,S} -5 C u0 p0 c0 {4,D} {6,S} {22,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 *1 C u0 p0 c0 {2,S} {6,S} {9,S} {23,S} -9 *3 C u0 p0 c0 {8,S} {10,S} {11,S} {24,S} -10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -11 C u0 p0 c0 {9,S} {12,D} {16,S} -12 C u0 p0 c0 {11,D} {13,S} {28,S} -13 C u0 p0 c0 {12,S} {14,D} {29,S} -14 C u0 p0 c0 {13,D} {15,S} {30,S} -15 C u0 p0 c0 {14,S} {16,D} {31,S} -16 C u0 p0 c0 {11,S} {15,D} {32,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {1,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {13,S} -30 H u0 p0 c0 {14,S} -31 H u0 p0 c0 {15,S} -32 H u0 p0 c0 {16,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {6,S} {16,S} +2 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {17,S} +3 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {5,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {2,S} {4,S} {8,D} +6 C u0 p0 c0 {1,S} {9,B} {10,B} +7 *2 C u1 p0 c0 {2,S} {11,S} {24,S} +8 C u0 p0 c0 {5,D} {12,S} {25,S} +9 C u0 p0 c0 {6,B} {13,B} {28,S} +10 C u0 p0 c0 {6,B} {15,B} {32,S} +11 C u0 p0 c0 {7,S} {12,D} {27,S} +12 C u0 p0 c0 {8,S} {11,D} {26,S} +13 C u0 p0 c0 {9,B} {14,B} {29,S} +14 C u0 p0 c0 {13,B} {15,B} {30,S} +15 C u0 p0 c0 {10,B} {14,B} {31,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {4,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {11,S} +28 H u0 p0 c0 {9,S} +29 H u0 p0 c0 {13,S} +30 H u0 p0 c0 {14,S} +31 H u0 p0 c0 {15,S} +32 H u0 p0 c0 {10,S} C15H17-47 multiplicity 2 -1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -2 C u0 p0 c0 {1,S} {3,S} {8,D} -3 C u0 p0 c0 {2,S} {4,D} {20,S} -4 C u0 p0 c0 {3,D} {5,S} {21,S} -5 *1 C u0 p0 c0 {4,S} {6,S} {9,S} {22,S} -6 *2 C u1 p0 c0 {5,S} {7,S} {8,S} -7 H u0 p0 c0 {6,S} -8 C u0 p0 c0 {2,D} {6,S} {23,S} -9 *3 C u0 p0 c0 {5,S} {10,S} {11,S} {24,S} -10 C u0 p0 c0 {9,S} {25,S} {26,S} {27,S} -11 C u0 p0 c0 {9,S} {12,D} {16,S} -12 C u0 p0 c0 {11,D} {13,S} {28,S} -13 C u0 p0 c0 {12,S} {14,D} {29,S} -14 C u0 p0 c0 {13,D} {15,S} {30,S} -15 C u0 p0 c0 {14,S} {16,D} {31,S} -16 C u0 p0 c0 {11,S} {15,D} {32,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {1,S} -20 H u0 p0 c0 {3,S} -21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {8,S} -24 H u0 p0 c0 {9,S} -25 H u0 p0 c0 {10,S} -26 H u0 p0 c0 {10,S} -27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {12,S} -29 H u0 p0 c0 {13,S} -30 H u0 p0 c0 {14,S} -31 H u0 p0 c0 {15,S} -32 H u0 p0 c0 {16,S} - -C15H17-48 -multiplicity 2 -1 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -2 *3 C u0 p0 c0 {1,S} {3,S} {9,S} {20,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 C u0 p0 c0 {3,D} {5,S} {21,S} -5 C u0 p0 c0 {4,S} {6,D} {22,S} -6 C u0 p0 c0 {5,D} {7,S} {23,S} -7 C u0 p0 c0 {6,S} {8,D} {24,S} -8 C u0 p0 c0 {3,S} {7,D} {25,S} -9 *1 C u0 p0 c0 {2,S} {10,S} {11,S} {16,S} -10 C u0 p0 c0 {9,S} {26,S} {27,S} {28,S} -11 *2 C u1 p0 c0 {9,S} {12,S} {13,S} -12 H u0 p0 c0 {11,S} -13 C u0 p0 c0 {11,S} {14,D} {29,S} -14 C u0 p0 c0 {13,D} {15,S} {30,S} -15 C u0 p0 c0 {14,S} {16,D} {31,S} -16 C u0 p0 c0 {9,S} {15,D} {32,S} -17 H u0 p0 c0 {1,S} -18 H u0 p0 c0 {1,S} -19 H u0 p0 c0 {1,S} -20 H u0 p0 c0 {2,S} +1 *3 C u0 p0 c0 {2,S} {3,S} {5,S} {16,S} +2 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {17,S} +3 C u0 p0 c0 {1,S} {18,S} {19,S} {20,S} +4 C u0 p0 c0 {6,S} {21,S} {22,S} {23,S} +5 C u0 p0 c0 {1,S} {11,B} {12,B} +6 C u0 p0 c0 {4,S} {9,S} {10,D} +7 *2 C u1 p0 c0 {2,S} {10,S} {24,S} +8 C u0 p0 c0 {2,S} {9,D} {25,S} +9 C u0 p0 c0 {6,S} {8,D} {26,S} +10 C u0 p0 c0 {6,D} {7,S} {27,S} +11 C u0 p0 c0 {5,B} {13,B} {28,S} +12 C u0 p0 c0 {5,B} {15,B} {32,S} +13 C u0 p0 c0 {11,B} {14,B} {29,S} +14 C u0 p0 c0 {13,B} {15,B} {30,S} +15 C u0 p0 c0 {12,B} {14,B} {31,S} +16 H u0 p0 c0 {1,S} +17 H u0 p0 c0 {2,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {3,S} 21 H u0 p0 c0 {4,S} -22 H u0 p0 c0 {5,S} -23 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {4,S} +23 H u0 p0 c0 {4,S} 24 H u0 p0 c0 {7,S} 25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {10,S} +26 H u0 p0 c0 {9,S} 27 H u0 p0 c0 {10,S} -28 H u0 p0 c0 {10,S} +28 H u0 p0 c0 {11,S} 29 H u0 p0 c0 {13,S} 30 H u0 p0 c0 {14,S} 31 H u0 p0 c0 {15,S} -32 H u0 p0 c0 {16,S} +32 H u0 p0 c0 {12,S} + +C15H17-48 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 *3 C u0 p0 c0 {1,S} {4,S} {5,S} {16,S} +3 C u0 p0 c0 {1,S} {20,S} {21,S} {22,S} +4 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +5 C u0 p0 c0 {2,S} {8,B} {9,B} +6 *2 C u1 p0 c0 {1,S} {10,S} {23,S} +7 C u0 p0 c0 {1,S} {11,D} {24,S} +8 C u0 p0 c0 {5,B} {12,B} {25,S} +9 C u0 p0 c0 {5,B} {14,B} {29,S} +10 C u0 p0 c0 {6,S} {15,D} {30,S} +11 C u0 p0 c0 {7,D} {15,S} {32,S} +12 C u0 p0 c0 {8,B} {13,B} {26,S} +13 C u0 p0 c0 {12,B} {14,B} {27,S} +14 C u0 p0 c0 {9,B} {13,B} {28,S} +15 C u0 p0 c0 {10,D} {11,S} {31,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {4,S} +18 H u0 p0 c0 {4,S} +19 H u0 p0 c0 {4,S} +20 H u0 p0 c0 {3,S} +21 H u0 p0 c0 {3,S} +22 H u0 p0 c0 {3,S} +23 H u0 p0 c0 {6,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {12,S} +27 H u0 p0 c0 {13,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {9,S} +30 H u0 p0 c0 {10,S} +31 H u0 p0 c0 {15,S} +32 H u0 p0 c0 {11,S} C8H10-7 -1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} -2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} -3 *1 C u0 p0 c0 {1,S} {4,B} {5,B} -4 *2 C u0 p0 c0 {3,B} {6,B} {14,S} -5 C u0 p0 c0 {3,B} {8,B} {18,S} -6 C u0 p0 c0 {4,B} {7,B} {15,S} -7 C u0 p0 c0 {6,B} {8,B} {16,S} -8 C u0 p0 c0 {5,B} {7,B} {17,S} -9 H u0 p0 c0 {1,S} -10 H u0 p0 c0 {1,S} -11 H u0 p0 c0 {2,S} -12 H u0 p0 c0 {2,S} -13 H u0 p0 c0 {2,S} -14 H u0 p0 c0 {4,S} -15 H u0 p0 c0 {6,S} -16 H u0 p0 c0 {7,S} -17 H u0 p0 c0 {8,S} -18 H u0 p0 c0 {5,S} +1 C u0 p0 c0 {2,S} {3,S} {9,S} {10,S} +2 C u0 p0 c0 {1,S} {11,S} {12,S} {13,S} +3 *1 C u0 p0 c0 {1,S} {4,B} {5,B} +4 *2 C u0 p0 c0 {3,B} {6,B} {14,S} +5 C u0 p0 c0 {3,B} {8,B} {18,S} +6 C u0 p0 c0 {4,B} {7,B} {15,S} +7 C u0 p0 c0 {6,B} {8,B} {16,S} +8 C u0 p0 c0 {5,B} {7,B} {17,S} +9 H u0 p0 c0 {1,S} +10 H u0 p0 c0 {1,S} +11 H u0 p0 c0 {2,S} +12 H u0 p0 c0 {2,S} +13 H u0 p0 c0 {2,S} +14 H u0 p0 c0 {4,S} +15 H u0 p0 c0 {6,S} +16 H u0 p0 c0 {7,S} +17 H u0 p0 c0 {8,S} +18 H u0 p0 c0 {5,S} C14H15-44 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} -3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -4 *3 C u0 p0 c0 {1,S} {7,B} {8,B} -5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} -6 C u0 p0 c0 {1,S} {9,D} {21,S} -7 C u0 p0 c0 {4,B} {12,B} {24,S} -8 C u0 p0 c0 {4,B} {13,B} {25,S} -9 C u0 p0 c0 {6,D} {14,S} {27,S} -10 C u0 p0 c0 {5,S} {14,D} {29,S} -11 C u0 p0 c0 {12,B} {13,B} {22,S} -12 C u0 p0 c0 {7,B} {11,B} {23,S} -13 C u0 p0 c0 {8,B} {11,B} {26,S} -14 C u0 p0 c0 {9,S} {10,D} {28,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {12,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {13,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {10,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +4 *3 C u0 p0 c0 {1,S} {7,B} {8,B} +5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} +6 C u0 p0 c0 {1,S} {9,D} {21,S} +7 C u0 p0 c0 {4,B} {12,B} {24,S} +8 C u0 p0 c0 {4,B} {13,B} {25,S} +9 C u0 p0 c0 {6,D} {14,S} {27,S} +10 C u0 p0 c0 {5,S} {14,D} {29,S} +11 C u0 p0 c0 {12,B} {13,B} {22,S} +12 C u0 p0 c0 {7,B} {11,B} {23,S} +13 C u0 p0 c0 {8,B} {11,B} {26,S} +14 C u0 p0 c0 {9,S} {10,D} {28,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {13,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {10,S} C12H10-3 -1 *1 C u0 p0 c0 {2,S} {3,B} {4,B} -2 C u0 p0 c0 {1,S} {5,B} {6,B} -3 *2 C u0 p0 c0 {1,B} {8,B} {15,S} -4 C u0 p0 c0 {1,B} {9,B} {16,S} -5 C u0 p0 c0 {2,B} {10,B} {18,S} -6 C u0 p0 c0 {2,B} {12,B} {22,S} -7 C u0 p0 c0 {8,B} {9,B} {13,S} -8 C u0 p0 c0 {3,B} {7,B} {14,S} -9 C u0 p0 c0 {4,B} {7,B} {17,S} -10 C u0 p0 c0 {5,B} {11,B} {19,S} -11 C u0 p0 c0 {10,B} {12,B} {20,S} -12 C u0 p0 c0 {6,B} {11,B} {21,S} -13 H u0 p0 c0 {7,S} -14 H u0 p0 c0 {8,S} -15 H u0 p0 c0 {3,S} -16 H u0 p0 c0 {4,S} -17 H u0 p0 c0 {9,S} -18 H u0 p0 c0 {5,S} -19 H u0 p0 c0 {10,S} -20 H u0 p0 c0 {11,S} -21 H u0 p0 c0 {12,S} -22 H u0 p0 c0 {6,S} +1 *1 C u0 p0 c0 {2,S} {3,B} {4,B} +2 C u0 p0 c0 {1,S} {5,B} {6,B} +3 *2 C u0 p0 c0 {1,B} {8,B} {15,S} +4 C u0 p0 c0 {1,B} {9,B} {16,S} +5 C u0 p0 c0 {2,B} {10,B} {18,S} +6 C u0 p0 c0 {2,B} {12,B} {22,S} +7 C u0 p0 c0 {8,B} {9,B} {13,S} +8 C u0 p0 c0 {3,B} {7,B} {14,S} +9 C u0 p0 c0 {4,B} {7,B} {17,S} +10 C u0 p0 c0 {5,B} {11,B} {19,S} +11 C u0 p0 c0 {10,B} {12,B} {20,S} +12 C u0 p0 c0 {6,B} {11,B} {21,S} +13 H u0 p0 c0 {7,S} +14 H u0 p0 c0 {8,S} +15 H u0 p0 c0 {3,S} +16 H u0 p0 c0 {4,S} +17 H u0 p0 c0 {9,S} +18 H u0 p0 c0 {5,S} +19 H u0 p0 c0 {10,S} +20 H u0 p0 c0 {11,S} +21 H u0 p0 c0 {12,S} +22 H u0 p0 c0 {6,S} C14H15-55 multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} -2 *3 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} -3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} -4 C u0 p0 c0 {1,S} {7,B} {8,B} -5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} -6 C u0 p0 c0 {1,S} {9,D} {21,S} -7 C u0 p0 c0 {4,B} {12,B} {24,S} -8 C u0 p0 c0 {4,B} {13,B} {25,S} -9 C u0 p0 c0 {6,D} {14,S} {27,S} -10 C u0 p0 c0 {5,S} {14,D} {29,S} -11 C u0 p0 c0 {12,B} {13,B} {22,S} -12 C u0 p0 c0 {7,B} {11,B} {23,S} -13 C u0 p0 c0 {8,B} {11,B} {26,S} -14 C u0 p0 c0 {9,S} {10,D} {28,S} -15 H u0 p0 c0 {2,S} -16 H u0 p0 c0 {2,S} -17 H u0 p0 c0 {3,S} -18 H u0 p0 c0 {3,S} -19 H u0 p0 c0 {3,S} -20 H u0 p0 c0 {5,S} -21 H u0 p0 c0 {6,S} -22 H u0 p0 c0 {11,S} -23 H u0 p0 c0 {12,S} -24 H u0 p0 c0 {7,S} -25 H u0 p0 c0 {8,S} -26 H u0 p0 c0 {13,S} -27 H u0 p0 c0 {9,S} -28 H u0 p0 c0 {14,S} -29 H u0 p0 c0 {10,S} +1 *1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 *3 C u0 p0 c0 {1,S} {3,S} {15,S} {16,S} +3 C u0 p0 c0 {2,S} {17,S} {18,S} {19,S} +4 C u0 p0 c0 {1,S} {7,B} {8,B} +5 *2 C u1 p0 c0 {1,S} {10,S} {20,S} +6 C u0 p0 c0 {1,S} {9,D} {21,S} +7 C u0 p0 c0 {4,B} {12,B} {24,S} +8 C u0 p0 c0 {4,B} {13,B} {25,S} +9 C u0 p0 c0 {6,D} {14,S} {27,S} +10 C u0 p0 c0 {5,S} {14,D} {29,S} +11 C u0 p0 c0 {12,B} {13,B} {22,S} +12 C u0 p0 c0 {7,B} {11,B} {23,S} +13 C u0 p0 c0 {8,B} {11,B} {26,S} +14 C u0 p0 c0 {9,S} {10,D} {28,S} +15 H u0 p0 c0 {2,S} +16 H u0 p0 c0 {2,S} +17 H u0 p0 c0 {3,S} +18 H u0 p0 c0 {3,S} +19 H u0 p0 c0 {3,S} +20 H u0 p0 c0 {5,S} +21 H u0 p0 c0 {6,S} +22 H u0 p0 c0 {11,S} +23 H u0 p0 c0 {12,S} +24 H u0 p0 c0 {7,S} +25 H u0 p0 c0 {8,S} +26 H u0 p0 c0 {13,S} +27 H u0 p0 c0 {9,S} +28 H u0 p0 c0 {14,S} +29 H u0 p0 c0 {10,S} C7H9-72 multiplicity 2 @@ -84765,25 +84765,25 @@ multiplicity 2 OCCdNj_p multiplicity 2 -1 O u0 p2 c0 {2,S} {5,S} -2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S} -3 C u0 p0 c0 {2,S} {4,D} {8,S} -4 N u1 p1 c0 {3,D} -5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {3,S} +1 O u0 p2 c0 {3,S} {8,S} +2 N u1 p1 c0 {4,D} +3 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 C u0 p0 c0 {2,D} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} +8 H u0 p0 c0 {1,S} OCNdCj_p multiplicity 2 -1 O u0 p2 c0 {2,S} {6,S} -2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} -3 N u0 p1 c0 {2,S} {4,D} -4 C u1 p0 c0 {3,D} {5,S} -5 H u0 p0 c0 {4,S} -6 H u0 p0 c0 {1,S} -7 H u0 p0 c0 {2,S} -8 H u0 p0 c0 {2,S} +1 O u0 p2 c0 {3,S} {7,S} +2 N u0 p1 c0 {3,S} {4,D} +3 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +4 C u1 p0 c0 {2,D} {8,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {4,S} C22H13 multiplicity 2 @@ -84947,170 +84947,6 @@ multiplicity 2 38 *3 H u0 p0 c0 {23,S} 39 H u0 p0 c0 {24,S} -C24H14-2 -1 C u0 p0 c0 {3,B} {5,B} {9,B} -2 C u0 p0 c0 {3,B} {8,B} {12,B} -3 C u0 p0 c0 {1,B} {2,B} {18,S} -4 *2 C u0 p0 c0 {5,B} {10,B} {19,B} -5 *1 C u0 p0 c0 {1,B} {4,B} {17,S} -6 C u0 p0 c0 {7,B} {12,B} {15,B} -7 C u0 p0 c0 {6,B} {11,B} {16,B} -8 C u0 p0 c0 {2,B} {11,B} {13,B} -9 C u0 p0 c0 {1,B} {13,B} {14,B} -10 C u0 p0 c0 {4,B} {14,B} {20,B} -11 C u0 p0 c0 {7,B} {8,B} {29,S} -12 C u0 p0 c0 {2,B} {6,B} {30,S} -13 C u0 p0 c0 {8,B} {9,B} {31,S} -14 C u0 p0 c0 {9,B} {10,B} {32,S} -15 C u0 p0 c0 {6,B} {22,B} {27,S} -16 C u0 p0 c0 {7,B} {21,B} {28,S} -17 C u0 p0 c0 {5,S} {18,D} {33,S} -18 C u0 p0 c0 {3,S} {17,D} {34,S} -19 C u0 p0 c0 {4,B} {23,B} {35,S} -20 C u0 p0 c0 {10,B} {24,B} {38,S} -21 C u0 p0 c0 {16,B} {22,B} {25,S} -22 C u0 p0 c0 {15,B} {21,B} {26,S} -23 C u0 p0 c0 {19,B} {24,B} {36,S} -24 C u0 p0 c0 {20,B} {23,B} {37,S} -25 H u0 p0 c0 {21,S} -26 H u0 p0 c0 {22,S} -27 H u0 p0 c0 {15,S} -28 H u0 p0 c0 {16,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {12,S} -31 H u0 p0 c0 {13,S} -32 H u0 p0 c0 {14,S} -33 H u0 p0 c0 {17,S} -34 H u0 p0 c0 {18,S} -35 H u0 p0 c0 {19,S} -36 H u0 p0 c0 {23,S} -37 H u0 p0 c0 {24,S} -38 H u0 p0 c0 {20,S} - -C24H15-3 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {25,S} -2 C u0 p0 c0 {1,S} {4,B} {6,B} -3 *2 C u0 p0 c0 {1,S} {7,B} {17,B} -4 C u0 p0 c0 {2,B} {5,B} {16,S} -5 C u0 p0 c0 {4,B} {10,B} {14,B} -6 C u0 p0 c0 {2,B} {12,S} {15,B} -7 C u0 p0 c0 {3,B} {12,S} {20,B} -8 C u0 p0 c0 {9,B} {14,B} {18,B} -9 C u0 p0 c0 {8,B} {13,B} {19,B} -10 C u0 p0 c0 {5,B} {13,B} {15,B} -11 C u0 p0 c0 {1,S} {16,D} {26,S} -12 C u1 p0 c0 {6,S} {7,S} {34,S} -13 C u0 p0 c0 {9,B} {10,B} {31,S} -14 C u0 p0 c0 {5,B} {8,B} {32,S} -15 C u0 p0 c0 {6,B} {10,B} {33,S} -16 C u0 p0 c0 {4,S} {11,D} {35,S} -17 C u0 p0 c0 {3,B} {23,B} {36,S} -18 C u0 p0 c0 {8,B} {22,B} {29,S} -19 C u0 p0 c0 {9,B} {21,B} {30,S} -20 C u0 p0 c0 {7,B} {24,B} {39,S} -21 C u0 p0 c0 {19,B} {22,B} {27,S} -22 C u0 p0 c0 {18,B} {21,B} {28,S} -23 C u0 p0 c0 {17,B} {24,B} {37,S} -24 C u0 p0 c0 {20,B} {23,B} {38,S} -25 *3 H u0 p0 c0 {1,S} -26 H u0 p0 c0 {11,S} -27 H u0 p0 c0 {21,S} -28 H u0 p0 c0 {22,S} -29 H u0 p0 c0 {18,S} -30 H u0 p0 c0 {19,S} -31 H u0 p0 c0 {13,S} -32 H u0 p0 c0 {14,S} -33 H u0 p0 c0 {15,S} -34 H u0 p0 c0 {12,S} -35 H u0 p0 c0 {16,S} -36 H u0 p0 c0 {17,S} -37 H u0 p0 c0 {23,S} -38 H u0 p0 c0 {24,S} -39 H u0 p0 c0 {20,S} - -C24H14-3 -1 C u0 p0 c0 {3,B} {5,B} {9,B} -2 C u0 p0 c0 {3,B} {8,B} {12,B} -3 C u0 p0 c0 {1,B} {2,B} {18,S} -4 C u0 p0 c0 {5,B} {10,B} {19,B} -5 C u0 p0 c0 {1,B} {4,B} {17,S} -6 C u0 p0 c0 {7,B} {12,B} {15,B} -7 C u0 p0 c0 {6,B} {11,B} {16,B} -8 C u0 p0 c0 {2,B} {11,B} {13,B} -9 C u0 p0 c0 {1,B} {13,B} {14,B} -10 C u0 p0 c0 {4,B} {14,B} {20,B} -11 C u0 p0 c0 {7,B} {8,B} {29,S} -12 C u0 p0 c0 {2,B} {6,B} {30,S} -13 C u0 p0 c0 {8,B} {9,B} {31,S} -14 C u0 p0 c0 {9,B} {10,B} {32,S} -15 C u0 p0 c0 {6,B} {22,B} {27,S} -16 C u0 p0 c0 {7,B} {21,B} {28,S} -17 *1 C u0 p0 c0 {5,S} {18,D} {33,S} -18 *2 C u0 p0 c0 {3,S} {17,D} {34,S} -19 C u0 p0 c0 {4,B} {23,B} {35,S} -20 C u0 p0 c0 {10,B} {24,B} {38,S} -21 C u0 p0 c0 {16,B} {22,B} {25,S} -22 C u0 p0 c0 {15,B} {21,B} {26,S} -23 C u0 p0 c0 {19,B} {24,B} {36,S} -24 C u0 p0 c0 {20,B} {23,B} {37,S} -25 H u0 p0 c0 {21,S} -26 H u0 p0 c0 {22,S} -27 H u0 p0 c0 {15,S} -28 H u0 p0 c0 {16,S} -29 H u0 p0 c0 {11,S} -30 H u0 p0 c0 {12,S} -31 H u0 p0 c0 {13,S} -32 H u0 p0 c0 {14,S} -33 H u0 p0 c0 {17,S} -34 H u0 p0 c0 {18,S} -35 H u0 p0 c0 {19,S} -36 H u0 p0 c0 {23,S} -37 H u0 p0 c0 {24,S} -38 H u0 p0 c0 {20,S} - -C24H15-4 -multiplicity 2 -1 *1 C u0 p0 c0 {2,S} {12,S} {25,S} {26,S} -2 C u0 p0 c0 {1,S} {3,B} {5,B} -3 C u0 p0 c0 {2,B} {4,B} {10,B} -4 C u0 p0 c0 {3,B} {6,B} {12,S} -5 C u0 p0 c0 {2,B} {11,B} {19,B} -6 C u0 p0 c0 {4,B} {9,B} {14,B} -7 C u0 p0 c0 {8,B} {14,B} {17,B} -8 C u0 p0 c0 {7,B} {13,B} {18,B} -9 C u0 p0 c0 {6,B} {13,B} {15,B} -10 C u0 p0 c0 {3,B} {15,B} {16,B} -11 C u0 p0 c0 {5,B} {16,B} {20,B} -12 *2 C u1 p0 c0 {1,S} {4,S} {27,S} -13 C u0 p0 c0 {8,B} {9,B} {32,S} -14 C u0 p0 c0 {6,B} {7,B} {33,S} -15 C u0 p0 c0 {9,B} {10,B} {34,S} -16 C u0 p0 c0 {10,B} {11,B} {35,S} -17 C u0 p0 c0 {7,B} {22,B} {30,S} -18 C u0 p0 c0 {8,B} {21,B} {31,S} -19 C u0 p0 c0 {5,B} {23,B} {36,S} -20 C u0 p0 c0 {11,B} {24,B} {39,S} -21 C u0 p0 c0 {18,B} {22,B} {28,S} -22 C u0 p0 c0 {17,B} {21,B} {29,S} -23 C u0 p0 c0 {19,B} {24,B} {37,S} -24 C u0 p0 c0 {20,B} {23,B} {38,S} -25 *3 H u0 p0 c0 {1,S} -26 H u0 p0 c0 {1,S} -27 H u0 p0 c0 {12,S} -28 H u0 p0 c0 {21,S} -29 H u0 p0 c0 {22,S} -30 H u0 p0 c0 {17,S} -31 H u0 p0 c0 {18,S} -32 H u0 p0 c0 {13,S} -33 H u0 p0 c0 {14,S} -34 H u0 p0 c0 {15,S} -35 H u0 p0 c0 {16,S} -36 H u0 p0 c0 {19,S} -37 H u0 p0 c0 {23,S} -38 H u0 p0 c0 {24,S} -39 H u0 p0 c0 {20,S} - C14H9 multiplicity 2 1 C u0 p0 c0 {2,B} {4,B} {5,B} @@ -87189,3 +87025,788 @@ multiplicity 2 24 H u0 p0 c0 {8,S} 25 H u0 p0 c0 {8,S} +C24H14-2 +1 C u0 p0 c0 {3,B} {5,B} {9,B} +2 C u0 p0 c0 {3,B} {8,B} {12,B} +3 C u0 p0 c0 {1,B} {2,B} {18,S} +4 *2 C u0 p0 c0 {5,B} {10,B} {19,B} +5 *1 C u0 p0 c0 {1,B} {4,B} {17,S} +6 C u0 p0 c0 {7,B} {12,B} {15,B} +7 C u0 p0 c0 {6,B} {11,B} {16,B} +8 C u0 p0 c0 {2,B} {11,B} {13,B} +9 C u0 p0 c0 {1,B} {13,B} {14,B} +10 C u0 p0 c0 {4,B} {14,B} {20,B} +11 C u0 p0 c0 {7,B} {8,B} {29,S} +12 C u0 p0 c0 {2,B} {6,B} {30,S} +13 C u0 p0 c0 {8,B} {9,B} {31,S} +14 C u0 p0 c0 {9,B} {10,B} {32,S} +15 C u0 p0 c0 {6,B} {22,B} {27,S} +16 C u0 p0 c0 {7,B} {21,B} {28,S} +17 C u0 p0 c0 {5,S} {18,D} {33,S} +18 C u0 p0 c0 {3,S} {17,D} {34,S} +19 C u0 p0 c0 {4,B} {23,B} {35,S} +20 C u0 p0 c0 {10,B} {24,B} {38,S} +21 C u0 p0 c0 {16,B} {22,B} {25,S} +22 C u0 p0 c0 {15,B} {21,B} {26,S} +23 C u0 p0 c0 {19,B} {24,B} {36,S} +24 C u0 p0 c0 {20,B} {23,B} {37,S} +25 H u0 p0 c0 {21,S} +26 H u0 p0 c0 {22,S} +27 H u0 p0 c0 {15,S} +28 H u0 p0 c0 {16,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {12,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {14,S} +33 H u0 p0 c0 {17,S} +34 H u0 p0 c0 {18,S} +35 H u0 p0 c0 {19,S} +36 H u0 p0 c0 {23,S} +37 H u0 p0 c0 {24,S} +38 H u0 p0 c0 {20,S} + +C24H15-3 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {11,S} {25,S} +2 C u0 p0 c0 {1,S} {4,B} {6,B} +3 *2 C u0 p0 c0 {1,S} {7,B} {17,B} +4 C u0 p0 c0 {2,B} {5,B} {16,S} +5 C u0 p0 c0 {4,B} {10,B} {14,B} +6 C u0 p0 c0 {2,B} {12,S} {15,B} +7 C u0 p0 c0 {3,B} {12,S} {20,B} +8 C u0 p0 c0 {9,B} {14,B} {18,B} +9 C u0 p0 c0 {8,B} {13,B} {19,B} +10 C u0 p0 c0 {5,B} {13,B} {15,B} +11 C u0 p0 c0 {1,S} {16,D} {26,S} +12 C u1 p0 c0 {6,S} {7,S} {34,S} +13 C u0 p0 c0 {9,B} {10,B} {31,S} +14 C u0 p0 c0 {5,B} {8,B} {32,S} +15 C u0 p0 c0 {6,B} {10,B} {33,S} +16 C u0 p0 c0 {4,S} {11,D} {35,S} +17 C u0 p0 c0 {3,B} {23,B} {36,S} +18 C u0 p0 c0 {8,B} {22,B} {29,S} +19 C u0 p0 c0 {9,B} {21,B} {30,S} +20 C u0 p0 c0 {7,B} {24,B} {39,S} +21 C u0 p0 c0 {19,B} {22,B} {27,S} +22 C u0 p0 c0 {18,B} {21,B} {28,S} +23 C u0 p0 c0 {17,B} {24,B} {37,S} +24 C u0 p0 c0 {20,B} {23,B} {38,S} +25 *3 H u0 p0 c0 {1,S} +26 H u0 p0 c0 {11,S} +27 H u0 p0 c0 {21,S} +28 H u0 p0 c0 {22,S} +29 H u0 p0 c0 {18,S} +30 H u0 p0 c0 {19,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {14,S} +33 H u0 p0 c0 {15,S} +34 H u0 p0 c0 {12,S} +35 H u0 p0 c0 {16,S} +36 H u0 p0 c0 {17,S} +37 H u0 p0 c0 {23,S} +38 H u0 p0 c0 {24,S} +39 H u0 p0 c0 {20,S} + +C24H14-3 +1 C u0 p0 c0 {3,B} {5,B} {9,B} +2 C u0 p0 c0 {3,B} {8,B} {12,B} +3 C u0 p0 c0 {1,B} {2,B} {18,S} +4 C u0 p0 c0 {5,B} {10,B} {19,B} +5 C u0 p0 c0 {1,B} {4,B} {17,S} +6 C u0 p0 c0 {7,B} {12,B} {15,B} +7 C u0 p0 c0 {6,B} {11,B} {16,B} +8 C u0 p0 c0 {2,B} {11,B} {13,B} +9 C u0 p0 c0 {1,B} {13,B} {14,B} +10 C u0 p0 c0 {4,B} {14,B} {20,B} +11 C u0 p0 c0 {7,B} {8,B} {29,S} +12 C u0 p0 c0 {2,B} {6,B} {30,S} +13 C u0 p0 c0 {8,B} {9,B} {31,S} +14 C u0 p0 c0 {9,B} {10,B} {32,S} +15 C u0 p0 c0 {6,B} {22,B} {27,S} +16 C u0 p0 c0 {7,B} {21,B} {28,S} +17 *1 C u0 p0 c0 {5,S} {18,D} {33,S} +18 *2 C u0 p0 c0 {3,S} {17,D} {34,S} +19 C u0 p0 c0 {4,B} {23,B} {35,S} +20 C u0 p0 c0 {10,B} {24,B} {38,S} +21 C u0 p0 c0 {16,B} {22,B} {25,S} +22 C u0 p0 c0 {15,B} {21,B} {26,S} +23 C u0 p0 c0 {19,B} {24,B} {36,S} +24 C u0 p0 c0 {20,B} {23,B} {37,S} +25 H u0 p0 c0 {21,S} +26 H u0 p0 c0 {22,S} +27 H u0 p0 c0 {15,S} +28 H u0 p0 c0 {16,S} +29 H u0 p0 c0 {11,S} +30 H u0 p0 c0 {12,S} +31 H u0 p0 c0 {13,S} +32 H u0 p0 c0 {14,S} +33 H u0 p0 c0 {17,S} +34 H u0 p0 c0 {18,S} +35 H u0 p0 c0 {19,S} +36 H u0 p0 c0 {23,S} +37 H u0 p0 c0 {24,S} +38 H u0 p0 c0 {20,S} + +C24H15-4 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {12,S} {25,S} {26,S} +2 C u0 p0 c0 {1,S} {3,B} {5,B} +3 C u0 p0 c0 {2,B} {4,B} {10,B} +4 C u0 p0 c0 {3,B} {6,B} {12,S} +5 C u0 p0 c0 {2,B} {11,B} {19,B} +6 C u0 p0 c0 {4,B} {9,B} {14,B} +7 C u0 p0 c0 {8,B} {14,B} {17,B} +8 C u0 p0 c0 {7,B} {13,B} {18,B} +9 C u0 p0 c0 {6,B} {13,B} {15,B} +10 C u0 p0 c0 {3,B} {15,B} {16,B} +11 C u0 p0 c0 {5,B} {16,B} {20,B} +12 *2 C u1 p0 c0 {1,S} {4,S} {27,S} +13 C u0 p0 c0 {8,B} {9,B} {32,S} +14 C u0 p0 c0 {6,B} {7,B} {33,S} +15 C u0 p0 c0 {9,B} {10,B} {34,S} +16 C u0 p0 c0 {10,B} {11,B} {35,S} +17 C u0 p0 c0 {7,B} {22,B} {30,S} +18 C u0 p0 c0 {8,B} {21,B} {31,S} +19 C u0 p0 c0 {5,B} {23,B} {36,S} +20 C u0 p0 c0 {11,B} {24,B} {39,S} +21 C u0 p0 c0 {18,B} {22,B} {28,S} +22 C u0 p0 c0 {17,B} {21,B} {29,S} +23 C u0 p0 c0 {19,B} {24,B} {37,S} +24 C u0 p0 c0 {20,B} {23,B} {38,S} +25 *3 H u0 p0 c0 {1,S} +26 H u0 p0 c0 {1,S} +27 H u0 p0 c0 {12,S} +28 H u0 p0 c0 {21,S} +29 H u0 p0 c0 {22,S} +30 H u0 p0 c0 {17,S} +31 H u0 p0 c0 {18,S} +32 H u0 p0 c0 {13,S} +33 H u0 p0 c0 {14,S} +34 H u0 p0 c0 {15,S} +35 H u0 p0 c0 {16,S} +36 H u0 p0 c0 {19,S} +37 H u0 p0 c0 {23,S} +38 H u0 p0 c0 {24,S} +39 H u0 p0 c0 {20,S} + +F +multiplicity 2 +1 *3 F u1 p3 c0 + +C2F4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {6,D} +6 *2 C u0 p0 c0 {3,S} {4,S} {5,D} + +C2F5 +multiplicity 2 +1 *3 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *2 C u1 p0 c0 {4,S} {5,S} {6,S} + +Br +multiplicity 2 +1 *3 Br u1 p3 c0 + +C3H3F3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *1 C u0 p0 c0 {4,S} {6,D} {7,S} +6 *2 C u0 p0 c0 {5,D} {8,S} {9,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {6,S} + +C3H3BrF3-2 +multiplicity 2 +1 *3 Br u0 p3 c0 {5,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +6 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +7 *2 C u1 p0 c0 {5,S} {9,S} {10,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} + +C3H2F4O-4 +multiplicity 3 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *2 O u1 p2 c0 {6,S} +6 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +7 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 C u1 p0 c0 {6,S} {9,S} {10,S} +9 H u0 p0 c0 {8,S} +10 H u0 p0 c0 {8,S} + +C2H2FO +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 *2 O u0 p2 c0 {4,D} +3 C u1 p0 c0 {4,S} {5,S} {6,S} +4 *1 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +CF3 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 *3 C u1 p0 c0 {1,S} {2,S} {3,S} + +CH2ClO +multiplicity 2 +1 *3 Cl u0 p3 c0 {3,S} +2 *2 O u1 p2 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} + +Cl +multiplicity 2 +1 *3 Cl u1 p3 c0 + +C2H3Cl2 +multiplicity 2 +1 *3 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 *1 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +4 *2 C u1 p0 c0 {2,S} {3,S} {7,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {4,S} + +C2H3Cl +1 Cl u0 p3 c0 {2,S} +2 *2 C u0 p0 c0 {1,S} {3,D} {4,S} +3 *1 C u0 p0 c0 {2,D} {5,S} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H4Cl-2 +multiplicity 2 +1 *3 Cl u0 p3 c0 {2,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *2 C u1 p0 c0 {2,S} {6,S} {7,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H2Cl3 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 *3 Cl u0 p3 c0 {4,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *2 C u1 p0 c0 {4,S} {6,S} {7,S} +6 H u0 p0 c0 {5,S} +7 H u0 p0 c0 {5,S} + +C2H2Cl2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 *2 C u0 p0 c0 {4,D} {5,S} {6,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2HCl4-3 +multiplicity 2 +1 Cl u0 p3 c0 {5,S} +2 *3 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 *2 C u1 p0 c0 {3,S} {4,S} {5,S} +7 H u0 p0 c0 {5,S} + +C2HCl3 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 *1 C u0 p0 c0 {1,S} {5,D} {6,S} +5 *2 C u0 p0 c0 {2,S} {3,S} {4,D} +6 H u0 p0 c0 {4,S} + +C2Cl5 +multiplicity 2 +1 Cl u0 p3 c0 {6,S} +2 Cl u0 p3 c0 {6,S} +3 *3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {7,S} +5 Cl u0 p3 c0 {7,S} +6 *1 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *2 C u1 p0 c0 {4,S} {5,S} {6,S} + +C2Cl4 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {6,D} +6 *2 C u0 p0 c0 {3,S} {4,S} {5,D} + +C2HCl2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 *3 Cl u0 p3 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,D} +4 *2 C u1 p0 c0 {3,D} {5,S} +5 H u0 p0 c0 {4,S} + +C2HCl-2 +1 Cl u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,T} {4,S} +3 *1 C u0 p0 c0 {1,S} {2,T} +4 H u0 p0 c0 {2,S} + +C2HCl2-2 +multiplicity 2 +1 *3 Cl u0 p3 c0 {3,S} +2 Cl u0 p3 c0 {4,S} +3 *1 C u0 p0 c0 {1,S} {4,D} {5,S} +4 *2 C u1 p0 c0 {2,S} {3,D} +5 H u0 p0 c0 {3,S} + +C2HCl +1 Cl u0 p3 c0 {3,S} +2 *1 C u0 p0 c0 {3,T} {4,S} +3 *2 C u0 p0 c0 {1,S} {2,T} +4 H u0 p0 c0 {2,S} + +C2H3F +1 F u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,S} {2,D} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +C3H3F4 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +6 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +7 *2 C u1 p0 c0 {5,S} {9,S} {10,S} +8 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} + +C2HF4 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *3 C u1 p0 c0 {4,S} {5,S} {7,S} +7 H u0 p0 c0 {6,S} + +C3H3F4O +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *2 O u1 p2 c0 {8,S} +6 *3 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +7 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 *1 C u0 p0 c0 {5,S} {6,S} {10,S} {11,S} +9 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {8,S} + +C2F4O +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 *2 O u0 p2 c0 {7,D} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *1 C u0 p0 c0 {4,S} {5,D} {6,S} + +C3H2F4O +multiplicity 3 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *2 O u1 p2 c0 {6,S} +6 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +7 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 *3 C u1 p0 c0 {6,S} {9,S} {10,S} +9 H u0 p0 c0 {8,S} +10 H u0 p0 c0 {8,S} + +C2HCl4 +multiplicity 2 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 *2 C u1 p0 c0 {3,S} {4,S} {5,S} +7 *3 H u0 p0 c0 {5,S} + +C3H3F4O-2 +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {8,S} +3 F u0 p3 c0 {8,S} +4 F u0 p3 c0 {8,S} +5 *2 O u1 p2 c0 {6,S} +6 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +7 *3 C u0 p0 c0 {6,S} {9,S} {10,S} {11,S} +8 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} +11 H u0 p0 c0 {7,S} + +C3H2BrF3 +1 Br u0 p3 c0 {6,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +6 *1 C u0 p0 c0 {1,S} {5,S} {7,D} +7 *2 C u0 p0 c0 {6,D} {8,S} {9,S} +8 H u0 p0 c0 {7,S} +9 H u0 p0 c0 {7,S} + +C3H3BrF3 +multiplicity 2 +1 Br u0 p3 c0 {5,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +6 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +7 *2 C u1 p0 c0 {5,S} {9,S} {10,S} +8 *3 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} + +C3HF3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 *2 C u0 p0 c0 {4,S} {6,T} +6 *1 C u0 p0 c0 {5,T} {7,S} +7 H u0 p0 c0 {6,S} + +C3H2F3 +multiplicity 2 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +5 *1 C u0 p0 c0 {6,D} {7,S} {8,S} +6 *2 C u1 p0 c0 {4,S} {5,D} +7 *3 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {5,S} + +C2HCl3-2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 *2 C u0 p0 c0 {1,S} {5,D} {6,S} +5 *1 C u0 p0 c0 {2,S} {3,S} {4,D} +6 H u0 p0 c0 {4,S} + +C2H2Cl3-2 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {5,S} +4 *1 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 *2 C u1 p0 c0 {3,S} {4,S} {7,S} +6 *3 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +C2H4Cl +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 *1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 *2 C u1 p0 c0 {1,S} {2,S} {7,S} +4 *3 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {3,S} + +C3H2F4 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *2 C u0 p0 c0 {4,S} {5,S} {7,D} +7 *1 C u0 p0 c0 {6,D} {8,S} {9,S} +8 H u0 p0 c0 {7,S} +9 H u0 p0 c0 {7,S} + +C3H3F4-2 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +6 *1 C u0 p0 c0 {7,S} {8,S} {9,S} {10,S} +7 *2 C u1 p0 c0 {4,S} {5,S} {6,S} +8 *3 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {6,S} + +C2H2Cl3-3 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 *1 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +5 *2 C u1 p0 c0 {2,S} {3,S} {4,S} +6 *3 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {4,S} + +C3H3F4O-3 +multiplicity 2 +1 F u0 p3 c0 {7,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {8,S} +5 *3 O u0 p2 c0 {6,S} {11,S} +6 *1 C u0 p0 c0 {5,S} {8,S} {9,S} {10,S} +7 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +8 *2 C u1 p0 c0 {4,S} {6,S} {7,S} +9 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {5,S} + +C2HF +1 F u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,T} {4,S} +3 *1 C u0 p0 c0 {1,S} {2,T} +4 H u0 p0 c0 {2,S} + +C3HF4 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 *3 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u0 p0 c0 {4,S} {5,S} {7,D} +7 *2 C u1 p0 c0 {6,D} {8,S} +8 H u0 p0 c0 {7,S} + +C3H2F4O-2 +multiplicity 3 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {8,S} +5 *3 O u1 p2 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +7 *1 C u0 p0 c0 {5,S} {8,S} {9,S} {10,S} +8 *2 C u1 p0 c0 {4,S} {6,S} {7,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} + +C2H3Cl-2 +1 Cl u0 p3 c0 {3,S} +2 *2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *1 C u0 p0 c0 {1,S} {2,D} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + +C2H4Cl-3 +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 *1 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 *2 C u1 p0 c0 {2,S} {6,S} {7,S} +4 *3 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H2Cl +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 *1 C u0 p0 c0 {3,D} {4,S} {5,S} +3 *2 C u1 p0 c0 {1,S} {2,D} +4 *3 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C2HF-2 +1 F u0 p3 c0 {3,S} +2 *1 C u0 p0 c0 {3,T} {4,S} +3 *2 C u0 p0 c0 {1,S} {2,T} +4 H u0 p0 c0 {2,S} + +C3HF4-2 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {7,S} +5 *3 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u0 p0 c0 {5,S} {7,D} {8,S} +7 *2 C u1 p0 c0 {4,S} {6,D} +8 H u0 p0 c0 {6,S} + +C3H2F4-2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u0 p0 c0 {4,S} {5,S} {7,D} +7 *2 C u0 p0 c0 {6,D} {8,S} {9,S} +8 H u0 p0 c0 {7,S} +9 H u0 p0 c0 {7,S} + +C3H3F4-3 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +6 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +7 *2 C u1 p0 c0 {5,S} {9,S} {10,S} +8 *3 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} + +C3H2F4O-3 +multiplicity 3 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *3 O u1 p2 c0 {6,S} +6 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +7 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 *2 C u1 p0 c0 {6,S} {9,S} {10,S} +9 H u0 p0 c0 {8,S} +10 H u0 p0 c0 {8,S} + +CHClO +1 Cl u0 p3 c0 {3,S} +2 *2 O u0 p2 c0 {3,D} +3 *1 C u0 p0 c0 {1,S} {2,D} {4,S} +4 H u0 p0 c0 {3,S} + +CH2ClO-2 +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 *2 O u1 p2 c0 {3,S} +3 *1 C u0 p0 c0 {1,S} {2,S} {4,S} {5,S} +4 *3 H u0 p0 c0 {3,S} +5 H u0 p0 c0 {3,S} + +C2H3FO +1 F u0 p3 c0 {4,S} +2 O u0 p2 c0 {3,S} {7,S} +3 *2 C u0 p0 c0 {2,S} {4,D} {5,S} +4 *1 C u0 p0 c0 {1,S} {3,D} {6,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {2,S} + +C3H3F4O-4 +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 O u0 p2 c0 {8,S} {11,S} +6 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +7 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 *2 C u1 p0 c0 {5,S} {6,S} {10,S} +9 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {5,S} + +C3H3F4O-5 +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *3 O u0 p2 c0 {6,S} {11,S} +6 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +7 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 *2 C u1 p0 c0 {6,S} {9,S} {10,S} +9 H u0 p0 c0 {8,S} +10 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {5,S} + +C2H3FO-2 +1 F u0 p3 c0 {4,S} +2 *2 O u0 p2 c0 {4,D} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 *1 C u0 p0 c0 {1,S} {2,D} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C3H3F4O-6 +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 *2 O u1 p2 c0 {6,S} +6 *1 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +7 *3 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 C u0 p0 c0 {6,S} {9,S} {10,S} {11,S} +9 H u0 p0 c0 {8,S} +10 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {8,S} + +C3HF4O +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 *2 O u0 p2 c0 {8,D} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 C u1 p0 c0 {4,S} {6,S} {8,S} +8 *1 C u0 p0 c0 {5,D} {7,S} {9,S} +9 H u0 p0 c0 {8,S} + +C3H2F4O-5 +multiplicity 3 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {8,S} +5 *2 O u1 p2 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +7 *1 C u0 p0 c0 {5,S} {8,S} {9,S} {10,S} +8 C u1 p0 c0 {4,S} {6,S} {7,S} +9 *3 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} + diff --git a/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py b/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py index 5bc967a1cb..e7957eb39b 100755 --- a/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py +++ b/input/kinetics/families/R_Addition_MultipleBond/training/reactions.py @@ -2,8 +2,8 @@ # encoding: utf-8 name = "R_Addition_MultipleBond/training" -shortDesc = u"Reaction kinetics used to generate rate rules" -longDesc = u""" +shortDesc = "Reaction kinetics used to generate rate rules" +longDesc = """ Put kinetic parameters for specific reactions in this file to use as a training set for generating rate rules to populate this kinetics family. """ @@ -11,14 +11,7 @@ index = 0, label = "C2H2 + C4H9 <=> C6H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.01e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (5.31, 'kcal/mol'), - T0 = (1, 'K'), - Tmin = (373, 'K'), - Tmax = (493, 'K'), - ), + kinetics = Arrhenius(A=(5.01e+10,'cm^3/(mol*s)'), n=0, Ea=(5.31,'kcal/mol'), T0=(1,'K'), Tmin=(373,'K'), Tmax=(493,'K')), reference = Article( authors = ['Garcia Dominguez, J.A.', 'Trotman-Dickenson, A.F.'], title = 'The reactions of alkyl radicals. Part IX. The addition of methyl, ethyl, isopropyl, and t-butyl radicals to acetylene and the isomerization of alkenyl radicals', @@ -29,7 +22,7 @@ ), rank = 10, longDesc = -u""" +""" Dominguez et al. Data derived from fitting to a complex mechanism. Pressure 0.01-0.32 atm. Excitation : direct photolysis, analysis : GC. C2H2 + Tert-C4H9 --> (CH3)3CCH=CH @@ -43,12 +36,7 @@ index = 1, label = "C2H3O3 <=> C2H2O + HO2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.3e+16, 's^-1', '*|/', 2.51189), - n = -1, - Ea = (29.5, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.3e+16,'s^-1','*|/',2.51189), n=-1, Ea=(29.5,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['J. W. Allen', 'C. F. Goldsmith', 'W. H. Green'], title = 'Automatic Estimation of Pressure-Dependent Rate Coefficients', @@ -59,9 +47,9 @@ ), referenceType = "theory", rank = 10, - shortDesc = u"""CFG VTST calculations at RQCISD(T)/CBS//B3LYP/6-311++G(d,p) level""", + shortDesc = """CFG VTST calculations at RQCISD(T)/CBS//B3LYP/6-311++G(d,p) level""", longDesc = -u""" +""" Quantum chemistry calculations at the RQCISD(T)/CBS//B3LYP/6-311++G(d,p) level using Gaussian 03 and MOLPRO. High-pressure-limit rate coefficient computed using Variflex. @@ -72,17 +60,12 @@ index = 2, label = "CH2O + C3H5O <=> C4H7O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (54.3214, 'cm^3/(mol*s)', '*|/', 1.1507), - n = 3.00879, - Ea = (6.589, 'kcal/mol', '+|-', 0.024), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(54.3214,'cm^3/(mol*s)','*|/',1.1507), n=3.00879, Ea=(6.589,'kcal/mol','+|-',0.024), T0=(1,'K')), referenceType = "theory", rank = 10, - shortDesc = u"""nyee TST calculations at CBS-QB3 level with hindered rotors level""", + shortDesc = """nyee TST calculations at CBS-QB3 level with hindered rotors level""", longDesc = -u""" +""" Quantum chemistry calculations at the CBS-QB3 level with hindered rotors using Gaussian 03. High-pressure-limit rate coefficient computed using Cantherm. One of the rotors had coupling and did not converge back to the @@ -94,14 +77,7 @@ index = 3, label = "allyl + C2H4 <=> pent1en5yl", degeneracy = 4.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)', '*|/', 2), - n = 2.7, - Ea = (11.3, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)','*|/',2), n=2.7, Ea=(11.3,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -112,7 +88,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -123,14 +99,7 @@ index = 4, label = "allyl + propene_1 <=> hex1en5yl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1560, 'cm^3/(mol*s)', '*|/', 2), - n = 2.53, - Ea = (11, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1560,'cm^3/(mol*s)','*|/',2), n=2.53, Ea=(11,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -141,7 +110,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -152,14 +121,7 @@ index = 5, label = "allyl + propene_2 <=> methylpentenyl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (137, 'cm^3/(mol*s)', '*|/', 2), - n = 2.84, - Ea = (12.2, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(137,'cm^3/(mol*s)','*|/',2), n=2.84, Ea=(12.2,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -170,7 +132,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -181,14 +143,7 @@ index = 6, label = "allyl + butene1_1 <=> hept1en5yl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)', '*|/', 2), - n = 2.62, - Ea = (10.9, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)','*|/',2), n=2.62, Ea=(10.9,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -199,7 +154,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -210,14 +165,7 @@ index = 7, label = "allyl + butene1_2 <=> C7H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (12.2, 'cm^3/(mol*s)', '*|/', 2), - n = 3.06, - Ea = (11.7, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(12.2,'cm^3/(mol*s)','*|/',2), n=3.06, Ea=(11.7,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -228,7 +176,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -239,14 +187,7 @@ index = 8, label = "allyl + butene2 <=> C7H13_2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (953, 'cm^3/(mol*s)', '*|/', 2), - n = 2.7, - Ea = (11.2, 'kcal/mol', '+|-', 1), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(953,'cm^3/(mol*s)','*|/',2), n=2.7, Ea=(11.2,'kcal/mol','+|-',1), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Wang, K.', 'Villano, S.M.', 'Dean, A.M.'], title = 'Reactions of allylic radicals that impact molecular weight growth kinetics', @@ -257,7 +198,7 @@ ), rank = 10, longDesc = -u""" +""" Wang et al. Phys. Chem. Chem. Phys., 2015, 17, 6255--6273 Table 4 CBS-QB3, high-P limit, atomization method for energies, hindered rotors for torsions around single bonds, tunneling with Eckart potentials. @@ -268,16 +209,11 @@ index = 9, label = "C7H8 + H <=> C7H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.36e+08, 'cm^3/(mol*s)'), - n = 1.56, - Ea = (0.6, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.36e+08,'cm^3/(mol*s)'), n=1.56, Ea=(0.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addA """, ) @@ -286,16 +222,11 @@ index = 10, label = "C7H8-2 + H <=> C7H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.01e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (2.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.01e+08,'cm^3/(mol*s)'), n=1.6, Ea=(2.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addB """, ) @@ -304,16 +235,11 @@ index = 11, label = "C7H8-3 + H <=> C7H9-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.3e+09, 'cm^3/(mol*s)'), - n = 1.48, - Ea = (0.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.3e+09,'cm^3/(mol*s)'), n=1.48, Ea=(0.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addC """, ) @@ -322,16 +248,11 @@ index = 12, label = "C7H8-4 + H <=> C7H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.41e+08, 'cm^3/(mol*s)'), - n = 1.57, - Ea = (1.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.41e+08,'cm^3/(mol*s)'), n=1.57, Ea=(1.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: vinylCPD + H <=> addD """, ) @@ -340,11 +261,11 @@ index = 13, label = "C7H9-5 <=> C2H4 + C5H5", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.87e+11, 's^-1'), n=0.68, Ea=(13.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.87e+11,'s^-1'), n=0.68, Ea=(13.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: addB <=> CPDyl + C2H4 """, ) @@ -353,11 +274,11 @@ index = 14, label = "C7H9-6 <=> C6H6 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.06e+11, 's^-1'), n=1.15, Ea=(39.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.06e+11,'s^-1'), n=1.15, Ea=(39.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product7 <=> FULVENE + CH3 """, ) @@ -366,11 +287,11 @@ index = 15, label = "C7H9-7 <=> C5H6 + C2H3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.5e+12, 's^-1'), n=0.81, Ea=(33.6, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.5e+12,'s^-1'), n=0.81, Ea=(33.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: addD <=> CPD + C2H3 """, ) @@ -379,11 +300,11 @@ index = 16, label = "C7H9-8 <=> C6H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.07e+11, 's^-1'), n=0.83, Ea=(22.8, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.07e+11,'s^-1'), n=0.83, Ea=(22.8,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product2 <=> BENZENE + CH3 """, ) @@ -392,11 +313,11 @@ index = 17, label = "C7H9-9 <=> C7H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.03e+09, 's^-1'), n=1.36, Ea=(26.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.03e+09,'s^-1'), n=1.36, Ea=(26.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product2 <=> TOLUENE + H """, ) @@ -405,11 +326,11 @@ index = 18, label = "C7H9-10 <=> C7H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.01e+09, 's^-1'), n=1.23, Ea=(28.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.01e+09,'s^-1'), n=1.23, Ea=(28.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product5 <=> product13 + H """, ) @@ -418,11 +339,11 @@ index = 19, label = "C7H9-11 <=> C7H8-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.47e+10, 's^-1'), n=1.17, Ea=(41.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.47e+10,'s^-1'), n=1.17, Ea=(41.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product12 <=> product14 + H """, ) @@ -431,11 +352,11 @@ index = 20, label = "C7H9-12 <=> C7H8-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.58e+10, 's^-1'), n=1.38, Ea=(48.4, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.58e+10,'s^-1'), n=1.38, Ea=(48.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product4 <=> product15 + H """, ) @@ -444,11 +365,11 @@ index = 21, label = "C7H9-13 <=> C5H6-2 + C2H3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.89e+12, 's^-1'), n=0.87, Ea=(45, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.89e+12,'s^-1'), n=0.87, Ea=(45,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: addC <=> CPD + C2H3 """, ) @@ -457,11 +378,11 @@ index = 22, label = "C6H6-3 + CH3 <=> C7H9-14", degeneracy = 1.0, - kinetics = Arrhenius(A=(263, 'cm^3/(mol*s)'), n=2.89, Ea=(6.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(263,'cm^3/(mol*s)'), n=2.89, Ea=(6.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: FULVENE + CH3 <=> product18 """, ) @@ -470,11 +391,11 @@ index = 23, label = "C7H9-15 <=> C7H8-9 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.47e+10, 's^-1'), n=1.17, Ea=(41.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.47e+10,'s^-1'), n=1.17, Ea=(41.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product24 <=> product13 + H """, ) @@ -483,11 +404,11 @@ index = 24, label = "C6H6-4 + CH3 <=> C7H9-16", degeneracy = 2.0, - kinetics = Arrhenius(A=(2790, 'cm^3/(mol*s)'), n=2.91, Ea=(1.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.91, Ea=(1.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: FULVENE + CH3 <=> product32 """, ) @@ -496,11 +417,11 @@ index = 25, label = "C6H6-5 + CH3 <=> C7H9-17", degeneracy = 2.0, - kinetics = Arrhenius(A=(2470, 'cm^3/(mol*s)'), n=2.88, Ea=(2, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.88, Ea=(2,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: FULVENE + CH3 <=> product31 """, ) @@ -509,11 +430,11 @@ index = 26, label = "C7H9-18 <=> C7H8-10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.03e+10, 's^-1'), n=1.22, Ea=(40.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.03e+10,'s^-1'), n=1.22, Ea=(40.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product37 <=> product13 + H """, ) @@ -522,12 +443,7 @@ index = 27, label = "C5H5 + C2H2 <=> C7H7", degeneracy = 10.0, - kinetics = Arrhenius( - A = (408000, 'cm^3/(mol*s)'), - n = 2.24, - Ea = (10.8, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(408000,'cm^3/(mol*s)'), n=2.24, Ea=(10.8,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -539,7 +455,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -548,7 +464,7 @@ index = 28, label = "C7H7-2 <=> C7H6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.16e+10, 's^-1'), n=1.24, Ea=(65.98, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.16e+10,'s^-1'), n=1.24, Ea=(65.98,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -560,7 +476,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -569,7 +485,7 @@ index = 29, label = "C3H4 + allyl <=> C6H9", degeneracy = 2.0, - kinetics = Arrhenius(A=(42, 'cm^3/(mol*s)'), n=3.27, Ea=(11, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(42,'cm^3/(mol*s)'), n=3.27, Ea=(11,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -581,7 +497,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -590,11 +506,11 @@ index = 30, label = "C6H9-2 <=> C6H8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.93e+09, 's^-1'), n=1.27, Ea=(31, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.93e+09,'s^-1'), n=1.27, Ea=(31,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_2 <=> prod_3 + H """, ) @@ -603,11 +519,11 @@ index = 31, label = "C3H4 + C4H7 <=> C7H11", degeneracy = 2.0, - kinetics = Arrhenius(A=(18.6, 'cm^3/(mol*s)'), n=3, Ea=(9.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(18.6,'cm^3/(mol*s)'), n=3, Ea=(9.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4a + iC4H7 <=> prod_6 """, ) @@ -616,11 +532,11 @@ index = 32, label = "C7H11-2 <=> C7H10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(6.37e+08, 's^-1'), n=1.3, Ea=(29.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(6.37e+08,'s^-1'), n=1.3, Ea=(29.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_4 <=> prod_5 + H """, ) @@ -629,16 +545,11 @@ index = 33, label = "C3H4-2 + allyl <=> C6H9-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (267000, 'cm^3/(mol*s)'), - n = 2.15, - Ea = (12.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(267000,'cm^3/(mol*s)'), n=2.15, Ea=(12.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4p + aC3H5 <=> prod_7 """, ) @@ -647,11 +558,11 @@ index = 34, label = "C6H9-4 <=> C6H8-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.99e+10, 's^-1'), n=1, Ea=(32.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.99e+10,'s^-1'), n=1, Ea=(32.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_8 <=> prod_9 + H """, ) @@ -660,11 +571,11 @@ index = 35, label = "C3H4-2 + C4H7 <=> C7H11-3", degeneracy = 2.0, - kinetics = Arrhenius(A=(121, 'cm^3/(mol*s)'), n=2.9, Ea=(10.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(121,'cm^3/(mol*s)'), n=2.9, Ea=(10.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4p + iC4H7 <=> prod_10 """, ) @@ -673,11 +584,11 @@ index = 36, label = "C7H11-4 <=> C7H10-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.77e+09, 's^-1'), n=1.4, Ea=(32, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.77e+09,'s^-1'), n=1.4, Ea=(32,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_11 <=> prod_12 + H """, ) @@ -686,11 +597,11 @@ index = 37, label = "C3H4 + C4H5 <=> C7H9-19", degeneracy = 1.0, - kinetics = Arrhenius(A=(128, 'cm^3/(mol*s)'), n=3.05, Ea=(7.4, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=3.05, Ea=(7.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4a + BD2YL <=> prod_13 """, ) @@ -699,11 +610,11 @@ index = 38, label = "C7H9-20 <=> C7H8-11 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4e+10, 's^-1'), n=1.27, Ea=(44.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4e+10,'s^-1'), n=1.27, Ea=(44.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_14 <=> prod_15 + H """, ) @@ -712,11 +623,11 @@ index = 39, label = "C3H4-2 + C4H5 <=> C7H9-21", degeneracy = 1.0, - kinetics = Arrhenius(A=(1900, 'cm^3/(mol*s)'), n=2.92, Ea=(8.5, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.92, Ea=(8.5,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4p + BD2YL <=> prod_16 """, ) @@ -725,11 +636,11 @@ index = 40, label = "C7H9-22 <=> C7H8-12 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(6.47e+10, 's^-1'), n=1.22, Ea=(45.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(6.47e+10,'s^-1'), n=1.22, Ea=(45.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_17 <=> prod_18 + H """, ) @@ -738,11 +649,11 @@ index = 41, label = "C3H4-3 + allyl <=> C6H9-5", degeneracy = 4.0, - kinetics = Arrhenius(A=(3960, 'cm^3/(mol*s)'), n=2.65, Ea=(11.6, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3960,'cm^3/(mol*s)'), n=2.65, Ea=(11.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: aC3H5 + C3H4a <=> prod_19 """, ) @@ -751,11 +662,11 @@ index = 42, label = "C3H4-3 + C4H7 <=> C7H11-5", degeneracy = 4.0, - kinetics = Arrhenius(A=(37, 'cm^3/(mol*s)'), n=2.89, Ea=(9.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(37,'cm^3/(mol*s)'), n=2.89, Ea=(9.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H4a + iC4H7 <=> prod_20 """, ) @@ -764,16 +675,11 @@ index = 43, label = "C2H2 + allyl <=> C5H7", degeneracy = 4.0, - kinetics = Arrhenius( - A = (238000, 'cm^3/(mol*s)'), - n = 2.26, - Ea = (12.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(238000,'cm^3/(mol*s)'), n=2.26, Ea=(12.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: aC3H5 + C2H2 <=> prod_21 """, ) @@ -782,11 +688,11 @@ index = 44, label = "C5H7-2 <=> C5H6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.19e+09, 's^-1'), n=1.37, Ea=(31.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.19e+09,'s^-1'), n=1.37, Ea=(31.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: prod_22 <=> CPD + H """, ) @@ -795,16 +701,11 @@ index = 45, label = "C2H2 + C3H3 <=> C5H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.27e+06, 'cm^3/(mol*s)'), - n = 2.15, - Ea = (10.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.27e+06,'cm^3/(mol*s)'), n=2.15, Ea=(10.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C2H2 <=> prod_23 """, ) @@ -813,11 +714,11 @@ index = 46, label = "C3H4-2 + C3H3 <=> C6H7", degeneracy = 1.0, - kinetics = Arrhenius(A=(7040, 'cm^3/(mol*s)'), n=2.87, Ea=(9.8, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7040,'cm^3/(mol*s)'), n=2.87, Ea=(9.8,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C3H4p <=> prod_25 """, ) @@ -826,11 +727,11 @@ index = 47, label = "C3H4-4 + C3H3 <=> C6H7-2", degeneracy = 1.0, - kinetics = Arrhenius(A=(285, 'cm^3/(mol*s)'), n=2.93, Ea=(11.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(285,'cm^3/(mol*s)'), n=2.93, Ea=(11.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C3H4p <=> prod_27 """, ) @@ -839,11 +740,11 @@ index = 48, label = "C3H4-3 + C3H3 <=> C6H7-3", degeneracy = 2.0, - kinetics = Arrhenius(A=(850, 'cm^3/(mol*s)'), n=2.81, Ea=(8.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(850,'cm^3/(mol*s)'), n=2.81, Ea=(8.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C3""", + shortDesc = """Training reaction from kinetics library: C3""", longDesc = -u""" +""" Taken from entry: C3H3 + C3H4a <=> prod_29 """, ) @@ -852,11 +753,11 @@ index = 49, label = "C5H6 + C5H5 <=> C10H11", degeneracy = 10.0, - kinetics = Arrhenius(A=(288, 'cm^3/(mol*s)'), n=2.8, Ea=(8.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(288,'cm^3/(mol*s)'), n=2.8, Ea=(8.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: CPD + CPDyl <=> adducte """, ) @@ -865,11 +766,11 @@ index = 50, label = "C5H6-2 + C5H5 <=> C10H11-2", degeneracy = 10.0, - kinetics = Arrhenius(A=(288, 'cm^3/(mol*s)'), n=2.74, Ea=(3.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(288,'cm^3/(mol*s)'), n=2.74, Ea=(3.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: CPD + CPDyl <=> adductd """, ) @@ -878,16 +779,11 @@ index = 51, label = "C10H10 + H <=> C10H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.09e+07, 'cm^3/(mol*s)'), - n = 1.71, - Ea = (2.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.09e+07,'cm^3/(mol*s)'), n=1.71, Ea=(2.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt11 + H <=> pdt10bis """, ) @@ -896,11 +792,11 @@ index = 52, label = "C10H11-4 <=> C6H6-2 + C4H5-2", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.14e+12, 's^-1'), n=0.52, Ea=(22.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.14e+12,'s^-1'), n=0.52, Ea=(22.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt12 <=> benzene + butadieneyl """, ) @@ -909,16 +805,11 @@ index = 53, label = "C10H10-2 + H <=> C10H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.81e+06, 'cm^3/(mol*s)'), - n = 1.95, - Ea = (5.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.81e+06,'cm^3/(mol*s)'), n=1.95, Ea=(5.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt13 + H <=> pdt12 """, ) @@ -927,11 +818,11 @@ index = 54, label = "C9H8 + CH3 <=> C10H11-6", degeneracy = 1.0, - kinetics = Arrhenius(A=(2480, 'cm^3/(mol*s)'), n=2.89, Ea=(-0.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.89, Ea=(-0.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt22 + CH3 <=> pdt21 """, ) @@ -940,11 +831,11 @@ index = 55, label = "C10H11-7 <=> C10H10-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.49e+09, 's^-1'), n=1.41, Ea=(38.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.49e+09,'s^-1'), n=1.41, Ea=(38.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt23 <=> pdt30 + H """, ) @@ -953,16 +844,11 @@ index = 56, label = "C10H10-4 + H <=> C10H11-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.09e+07, 'cm^3/(mol*s)'), - n = 1.71, - Ea = (2.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.09e+07,'cm^3/(mol*s)'), n=1.71, Ea=(2.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt26 + H <=> pdt19 """, ) @@ -971,16 +857,11 @@ index = 57, label = "C10H10-5 + H <=> C10H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.26e+08, 'cm^3/(mol*s)'), - n = 1.63, - Ea = (1.9, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.26e+08,'cm^3/(mol*s)'), n=1.63, Ea=(1.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt31 + H <=> pdt8 """, ) @@ -989,11 +870,11 @@ index = 58, label = "C10H11-10 <=> C9H8-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.72e+10, 's^-1'), n=1.33, Ea=(51.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.72e+10,'s^-1'), n=1.33, Ea=(51.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt32 <=> pdt22 + CH3 """, ) @@ -1002,16 +883,11 @@ index = 59, label = "C10H10-6 + H <=> C10H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.93e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (1.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.93e+08,'cm^3/(mol*s)'), n=1.6, Ea=(1.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt31 + H <=> pdt29 """, ) @@ -1020,16 +896,11 @@ index = 60, label = "C10H10-7 + H <=> C10H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.93e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (1.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.93e+08,'cm^3/(mol*s)'), n=1.6, Ea=(1.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt30 + H <=> pdt29 """, ) @@ -1038,16 +909,11 @@ index = 61, label = "C10H10-8 + H <=> C10H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.93e+08, 'cm^3/(mol*s)'), - n = 1.6, - Ea = (1.4, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.93e+08,'cm^3/(mol*s)'), n=1.6, Ea=(1.4,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt35 + H <=> pdt29 """, ) @@ -1056,16 +922,11 @@ index = 62, label = "C10H10-9 + H <=> C10H11-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.61e+07, 'cm^3/(mol*s)'), - n = 1.71, - Ea = (4.7, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.61e+07,'cm^3/(mol*s)'), n=1.71, Ea=(4.7,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt38 + H <=> pdt37 """, ) @@ -1074,12 +935,7 @@ index = 63, label = "C6H6 + H <=> C6H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.031e+09, 'cm^3/(mol*s)'), - n = 1.339, - Ea = (-0.477, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.031e+09,'cm^3/(mol*s)'), n=1.339, Ea=(-0.477,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1091,7 +947,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1100,12 +956,7 @@ index = 64, label = "C6H6-3 + H <=> C6H7-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.997e+08, 'cm^3/(mol*s)'), - n = 1.629, - Ea = (3.519, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.997e+08,'cm^3/(mol*s)'), n=1.629, Ea=(3.519,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1117,7 +968,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1126,12 +977,7 @@ index = 65, label = "C6H6-5 + H <=> C6H7-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.37e+08, 'cm^3/(mol*s)'), - n = 1.488, - Ea = (2.039, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.37e+08,'cm^3/(mol*s)'), n=1.488, Ea=(2.039,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1143,7 +989,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1152,12 +998,7 @@ index = 66, label = "C6H6-4 + H <=> C6H7-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.022e+09, 'cm^3/(mol*s)'), - n = 1.369, - Ea = (2.244, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.022e+09,'cm^3/(mol*s)'), n=1.369, Ea=(2.244,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1169,7 +1010,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1178,12 +1019,7 @@ index = 67, label = "C6H6-2 + H <=> C6H7-8", degeneracy = 6.0, - kinetics = Arrhenius( - A = (9.221e+08, 'cm^3/(mol*s)'), - n = 1.608, - Ea = (4.599, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.221e+08,'cm^3/(mol*s)'), n=1.608, Ea=(4.599,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Krasnoukhov, V. S.', 'Porfiriev, D. P.', 'Zavershinskiy, I. P.', 'Azyazov, V. N.', 'Mebel, A. M.'], title = 'Kinetics of the CH3 + C5H5 Reaction: A Theoretical Study', @@ -1195,7 +1031,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/cc-pVTZ-f12//B2PLYPD3/aug-cc-pVDZ """, ) @@ -1204,16 +1040,11 @@ index = 68, label = "C10H8 + H <=> C10H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.63e+09, 'cm^3/(mol*s)'), - n = 1.61, - Ea = (0.1, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.63e+09,'cm^3/(mol*s)'), n=1.61, Ea=(0.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: biCPD3ene + H <=> adducta """, ) @@ -1222,16 +1053,11 @@ index = 69, label = "C10H8-2 + H <=> C10H9-2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.61e+10, 'cm^3/(mol*s)'), - n = 1.52, - Ea = (0.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.61e+10,'cm^3/(mol*s)'), n=1.52, Ea=(0.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: biCPD3ene + H <=> adductb """, ) @@ -1240,16 +1066,11 @@ index = 70, label = "C10H8-3 + H <=> C10H9-3", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.61e+10, 'cm^3/(mol*s)'), - n = 1.52, - Ea = (0.3, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.61e+10,'cm^3/(mol*s)'), n=1.52, Ea=(0.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: biCPD3ene + H <=> adductc """, ) @@ -1258,11 +1079,11 @@ index = 71, label = "C10H9-4 <=> C10H8-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.34e+08, 's^-1'), n=1.55, Ea=(15.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.34e+08,'s^-1'), n=1.55, Ea=(15.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: naphthalene_H""", + shortDesc = """Training reaction from kinetics library: naphthalene_H""", longDesc = -u""" +""" Taken from entry: prod4 <=> naphthalene + H """, ) @@ -1271,16 +1092,11 @@ index = 72, label = "CH2CHNH2 + H <=> CH2CH2NH2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.141e+07, 'cm^3/(mol*s)'), - n = 1.767, - Ea = (3729, 'cal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.141e+07,'cm^3/(mol*s)'), n=1.767, Ea=(3729,'cal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: Ethylamine""", + shortDesc = """Training reaction from kinetics library: Ethylamine""", longDesc = -u""" +""" CBS-QB3 """, ) @@ -1289,11 +1105,11 @@ index = 73, label = "C2H4 + NH2 <=> CH2CH2NH2", degeneracy = 2.0, - kinetics = Arrhenius(A=(1228, 'cm^3/(mol*s)'), n=2.756, Ea=(1658, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1228,'cm^3/(mol*s)'), n=2.756, Ea=(1658,'cal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: Ethylamine""", + shortDesc = """Training reaction from kinetics library: Ethylamine""", longDesc = -u""" +""" CBS-QB3 """, ) @@ -1302,16 +1118,11 @@ index = 74, label = "CH2NH + H <=> CH2NH2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.475e+08, 'cm^3/(mol*s)'), - n = 1.674, - Ea = (2295, 'cal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.475e+08,'cm^3/(mol*s)'), n=1.674, Ea=(2295,'cal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: Ethylamine""", + shortDesc = """Training reaction from kinetics library: Ethylamine""", longDesc = -u""" +""" CBS-QB3 """, ) @@ -1320,16 +1131,11 @@ index = 75, label = "C4H9-1 + C8H8 <=> C12H17-1", degeneracy = 1.0, - kinetics = Arrhenius( - A = (236.006, 'cm^3/(mol*s)'), - n = 2.7878, - Ea = (15.4228, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(236.006,'cm^3/(mol*s)'), n=2.7878, Ea=(15.4228,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2016 More information can be found on pharos ~laitcl/Gaussian/2017/Kinetics """, @@ -1339,16 +1145,10 @@ index = 76, label = "C9H11-1 <=> C8H8 + CH3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.59e+12, 's^-1'), - n = 0.733, - Ea = (35.918, 'kcal/mol'), - T0 = (1, 'K'), - comment = 'From 2012 Kislov', - ), + kinetics = Arrhenius(A=(2.59e+12,'s^-1'), n=0.733, Ea=(35.918,'kcal/mol'), T0=(1,'K'), comment="""From 2012 Kislov"""), rank = 10, longDesc = -u""" +""" Originally from reaction library: From 2012 Kislov """, ) @@ -1357,16 +1157,10 @@ index = 77, label = "C9H11-3 <=> C2H4 + C7H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.717e+13, 's^-1'), - n = 0, - Ea = (22.905, 'kcal/mol'), - T0 = (1, 'K'), - comment = 'CBS-QB3', - ), + kinetics = Arrhenius(A=(2.717e+13,'s^-1'), n=0, Ea=(22.905,'kcal/mol'), T0=(1,'K'), comment="""CBS-QB3"""), rank = 10, longDesc = -u""" +""" Originally from reaction library: New_Phenyl_Propene_Pathway CBS-QB3 """, @@ -1376,16 +1170,11 @@ index = 78, label = "C12H18 + H <=> C12H19-1", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.76237e+07, 'cm^3/(mol*s)'), - n = 1.70829, - Ea = (25.4744, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.76237e+07,'cm^3/(mol*s)'), n=1.70829, Ea=(25.4744,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Hexylbenzene + H --> CCCCCCC1C=C[CH]C=C1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1396,16 +1185,11 @@ index = 79, label = "C7H8-27 + H <=> C7H9-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.07929e+09, 'cm^3/(mol*s)'), - n = 1.42903, - Ea = (22.7647, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.07929e+09,'cm^3/(mol*s)'), n=1.42903, Ea=(22.7647,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1[CH]C=CCC=1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1416,16 +1200,11 @@ index = 80, label = "C7H8-13 + H <=> C7H9-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.02442e+09, 'cm^3/(mol*s)'), - n = 1.43982, - Ea = (18.8871, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.02442e+09,'cm^3/(mol*s)'), n=1.43982, Ea=(18.8871,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1=C[CH]C=CC1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1436,16 +1215,11 @@ index = 81, label = "C7H8-29 + H <=> C7H9-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.1233e+09, 'cm^3/(mol*s)'), - n = 1.42368, - Ea = (22.5731, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.1233e+09,'cm^3/(mol*s)'), n=1.42368, Ea=(22.5731,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1C=CC[CH]C=1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1456,16 +1230,11 @@ index = 82, label = "C7H8-5 + H <=> C7H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.20433e+08, 'cm^3/(mol*s)'), - n = 1.56916, - Ea = (26.7856, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.20433e+08,'cm^3/(mol*s)'), n=1.56916, Ea=(26.7856,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 Toluene + H --> CC1C=C[CH]C=C1 More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals @@ -1476,11 +1245,11 @@ index = 83, label = "propene_1 + C6H5 <=> C9H11", degeneracy = 1.0, - kinetics = Arrhenius(A=(3132, 'cm^3/(mol*s)'), n=2.668, Ea=(0.41, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3132,'cm^3/(mol*s)'), n=2.668, Ea=(0.41,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C3H6 <=> i1 """, ) @@ -1489,16 +1258,11 @@ index = 84, label = "propene_2 + C6H5 <=> C9H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (681.8, 'cm^3/(mol*s)'), - n = 2.75, - Ea = (2.279, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(681.8,'cm^3/(mol*s)'), n=2.75, Ea=(2.279,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C3H6 <=> i2 """, ) @@ -1507,11 +1271,11 @@ index = 85, label = "C9H11-4 <=> C9H10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.532e+07, 's^-1'), n=1.831, Ea=(34.3, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.532e+07,'s^-1'), n=1.831, Ea=(34.3,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i1 <=> p2 + H """, ) @@ -1520,11 +1284,11 @@ index = 86, label = "C9H11-5 <=> C9H10-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.133e+08, 's^-1'), n=1.389, Ea=(34.424, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.133e+08,'s^-1'), n=1.389, Ea=(34.424,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i1 <=> p3 + H """, ) @@ -1533,11 +1297,11 @@ index = 87, label = "C9H11-6 <=> C8H8-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.169e+10, 's^-1'), n=0.925, Ea=(28.785, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.169e+10,'s^-1'), n=0.925, Ea=(28.785,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i2 <=> p1 + CH3 """, ) @@ -1546,11 +1310,11 @@ index = 88, label = "C9H11-7 <=> C9H10-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.145e+09, 's^-1'), n=1.255, Ea=(34.391, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.145e+09,'s^-1'), n=1.255, Ea=(34.391,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i2 <=> p4 + H """, ) @@ -1559,11 +1323,11 @@ index = 89, label = "C9H11-8 <=> C9H10-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.77e+08, 's^-1'), n=1.506, Ea=(35.156, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.77e+08,'s^-1'), n=1.506, Ea=(35.156,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i4 <=> p2 + H """, ) @@ -1572,11 +1336,11 @@ index = 90, label = "C9H11-9 <=> C9H10-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.595e+09, 's^-1'), n=1.097, Ea=(22.941, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.595e+09,'s^-1'), n=1.097, Ea=(22.941,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i5 <=> p5 + H """, ) @@ -1585,11 +1349,11 @@ index = 91, label = "C9H11-10 <=> C9H10-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.6e+09, 's^-1'), n=1.106, Ea=(25.978, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.6e+09,'s^-1'), n=1.106, Ea=(25.978,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i6 <=> p2 + H """, ) @@ -1598,11 +1362,11 @@ index = 92, label = "C9H11-1 <=> C8H8 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.276e+11, 's^-1'), n=0.842, Ea=(35.998, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.276e+11,'s^-1'), n=0.842, Ea=(35.998,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i7 <=> p1 + CH3 """, ) @@ -1611,11 +1375,11 @@ index = 93, label = "C9H11-11 <=> C9H10-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.757e+10, 's^-1'), n=1.083, Ea=(40.433, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.757e+10,'s^-1'), n=1.083, Ea=(40.433,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i7 <=> p3 + H """, ) @@ -1624,11 +1388,11 @@ index = 94, label = "C9H11-12 <=> C8H8-3 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.37e+13, 's^-1'), n=0.61, Ea=(48.173, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.37e+13,'s^-1'), n=0.61, Ea=(48.173,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i8 <=> p7 + CH3 """, ) @@ -1637,11 +1401,11 @@ index = 95, label = "C9H11-13 <=> C9H10-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(9.945e+09, 's^-1'), n=1.096, Ea=(26.664, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(9.945e+09,'s^-1'), n=1.096, Ea=(26.664,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i8 <=> p8 + H """, ) @@ -1650,11 +1414,11 @@ index = 96, label = "C9H11-14 <=> C9H10-9 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.086e+10, 's^-1'), n=0.921, Ea=(25.035, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.086e+10,'s^-1'), n=0.921, Ea=(25.035,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i10 <=> p4 + H """, ) @@ -1663,11 +1427,11 @@ index = 97, label = "C9H11-3 <=> C2H4 + C7H7-3", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.39e+09, 's^-1'), n=1.1, Ea=(22.881, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.39e+09,'s^-1'), n=1.1, Ea=(22.881,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Buras_C6H5_C3H6_highP""", longDesc = -u""" +""" Taken from entry: i4 <=> benzyl + C2H4 """, ) @@ -1676,16 +1440,11 @@ index = 98, label = "C7H8-5 + H <=> C7H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.65e+06, 'cm^3/(mol*s)'), - n = 2.063, - Ea = (3.976, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.65e+06,'cm^3/(mol*s)'), n=2.063, Ea=(3.976,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", + shortDesc = """Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", longDesc = -u""" +""" Taken from entry: C6H5CH3 + H <=> ipso-(C7H9) """, ) @@ -1694,11 +1453,11 @@ index = 99, label = "C7H9-8 <=> C6H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.831e+11, 's^-1'), n=0.669, Ea=(19.862, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.831e+11,'s^-1'), n=0.669, Ea=(19.862,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", + shortDesc = """Training reaction from kinetics library: 2001_Tokmakov_H_Toluene_to_CH3_Benzene_high_P""", longDesc = -u""" +""" Taken from entry: ipso-(C7H9) <=> C6H6 + CH3 """, ) @@ -1707,16 +1466,11 @@ index = 100, label = "C4H6 + C2H3 <=> C6H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (39130, 'cm^3/(mol*s)'), - n = 2.404, - Ea = (0.42, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(39130,'cm^3/(mol*s)'), n=2.404, Ea=(0.42,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: C2H3 + C4H6 <=> C6H9 """, ) @@ -1725,11 +1479,11 @@ index = 101, label = "C6H9-7 <=> C6H8-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.29e+06, 's^-1'), n=2.017, Ea=(40.664, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.29e+06,'s^-1'), n=2.017, Ea=(40.664,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: C6H9 <=> C6H8 + H """, ) @@ -1738,11 +1492,11 @@ index = 102, label = "C6H9-8 <=> C6H8-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.972e+07, 's^-1'), n=1.802, Ea=(32.304, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.972e+07,'s^-1'), n=1.802, Ea=(32.304,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c5-C6H9 <=> H + c5-C6H8 """, ) @@ -1751,11 +1505,11 @@ index = 103, label = "C6H9-9 <=> C6H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.487e+08, 's^-1'), n=1.395, Ea=(33.132, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.487e+08,'s^-1'), n=1.395, Ea=(33.132,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c6-C6H9 <=> H + C6H8-c6-13 """, ) @@ -1764,11 +1518,11 @@ index = 104, label = "C6H9-10 <=> C6H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.097e+09, 's^-1'), n=1.299, Ea=(33.394, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.097e+09,'s^-1'), n=1.299, Ea=(33.394,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c6-C6H9 <=> H + C6H8-c6-14 """, ) @@ -1777,11 +1531,11 @@ index = 105, label = "C6H9-11 <=> C5H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.961e+11, 's^-1'), n=0.717, Ea=(38.962, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.961e+11,'s^-1'), n=0.717, Ea=(38.962,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: 2015_Buras_C2H3_C4H6_highP""", longDesc = -u""" +""" Taken from entry: c5-C6H9-2 <=> C5H6 + CH3 """, ) @@ -1790,16 +1544,11 @@ index = 106, label = "C4H4 + C6H5 <=> C10H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32420, 'cm^3/(mol*s)'), - n = 2.179, - Ea = (-0.282, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(32420,'cm^3/(mol*s)'), n=2.179, Ea=(-0.282,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W1 """, ) @@ -1808,11 +1557,11 @@ index = 107, label = "C10H9-6 <=> C10H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.456e+08, 's^-1'), n=1.511, Ea=(40.052, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.456e+08,'s^-1'), n=1.511, Ea=(40.052,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W1 <=> P2 + H """, ) @@ -1821,16 +1570,11 @@ index = 108, label = "C4H4-2 + C6H5 <=> C10H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (392600, 'cm^3/(mol*s)'), - n = 2.192, - Ea = (4.297, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(392600,'cm^3/(mol*s)'), n=2.192, Ea=(4.297,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W2 """, ) @@ -1839,16 +1583,11 @@ index = 109, label = "C4H4-3 + C6H5 <=> C10H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44410, 'cm^3/(mol*s)'), - n = 2.177, - Ea = (1.454, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(44410,'cm^3/(mol*s)'), n=2.177, Ea=(1.454,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W3 """, ) @@ -1857,11 +1596,11 @@ index = 110, label = "C10H9-9 <=> C10H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.076e+12, 's^-1'), n=0.597, Ea=(36.928, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.076e+12,'s^-1'), n=0.597, Ea=(36.928,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W10 <=> P2 + H """, ) @@ -1870,11 +1609,11 @@ index = 111, label = "C10H9-10 <=> C10H8-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.394e+10, 's^-1'), n=1.133, Ea=(39.957, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.394e+10,'s^-1'), n=1.133, Ea=(39.957,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W16 <=> P2 + H """, ) @@ -1883,11 +1622,11 @@ index = 112, label = "C10H9-11 <=> C10H8-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.951e+13, 's^-1'), n=0.612, Ea=(49.045, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.951e+13,'s^-1'), n=0.612, Ea=(49.045,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: W20 <=> P2 + H """, ) @@ -1896,11 +1635,11 @@ index = 113, label = "C4H4-4 + C6H5 <=> C10H9-12", degeneracy = 1.0, - kinetics = Arrhenius(A=(1571, 'cm^3/(mol*s)'), n=2.63, Ea=(2.072, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1571,'cm^3/(mol*s)'), n=2.63, Ea=(2.072,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: C6H5 + C4H4 <=> W14 """, ) @@ -1909,16 +1648,11 @@ index = 114, label = "C10H8-9 + H <=> C10H9-13", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.824e+09, 'cm^3/(mol*s)'), - n = 1.551, - Ea = (4.518, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.824e+09,'cm^3/(mol*s)'), n=1.551, Ea=(4.518,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P1 + H <=> W6 """, ) @@ -1927,16 +1661,11 @@ index = 115, label = "C10H8-10 + H <=> C10H9-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.785e+08, 'cm^3/(mol*s)'), - n = 1.663, - Ea = (10.356, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.785e+08,'cm^3/(mol*s)'), n=1.663, Ea=(10.356,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P1 + H <=> W13 """, ) @@ -1945,16 +1674,11 @@ index = 116, label = "C10H8-11 + H <=> C10H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.163e+11, 'cm^3/(mol*s)'), - n = 1.054, - Ea = (3.968, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.163e+11,'cm^3/(mol*s)'), n=1.054, Ea=(3.968,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W3 """, ) @@ -1963,16 +1687,11 @@ index = 117, label = "C10H8-12 + H <=> C10H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.786e+08, 'cm^3/(mol*s)'), - n = 1.533, - Ea = (3.846, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.786e+08,'cm^3/(mol*s)'), n=1.533, Ea=(3.846,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W9 """, ) @@ -1981,16 +1700,11 @@ index = 118, label = "C10H8-13 + H <=> C10H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.278e+08, 'cm^3/(mol*s)'), - n = 1.505, - Ea = (5.344, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.278e+08,'cm^3/(mol*s)'), n=1.505, Ea=(5.344,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P5 + H <=> W3 """, ) @@ -1999,16 +1713,11 @@ index = 119, label = "C10H8-14 + H <=> C10H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.149e+09, 'cm^3/(mol*s)'), - n = 1.595, - Ea = (4.014, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.149e+09,'cm^3/(mol*s)'), n=1.595, Ea=(4.014,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P5 + H <=> W20 """, ) @@ -2017,16 +1726,11 @@ index = 120, label = "C10H8-15 + H <=> C10H9-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.081e+08, 'cm^3/(mol*s)'), - n = 1.65, - Ea = (6.797, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.081e+08,'cm^3/(mol*s)'), n=1.65, Ea=(6.797,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C4H4_highP""", longDesc = -u""" +""" Taken from entry: P6 + H <=> W14 """, ) @@ -2035,16 +1739,11 @@ index = 121, label = "C10H10-10 + H <=> C10H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.4e+08, 'cm^3/(mol*s)'), - n = 1.58, - Ea = (1.6, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.4e+08,'cm^3/(mol*s)'), n=1.58, Ea=(1.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: pdt13 + H <=> pdt25 """, ) @@ -2053,11 +1752,11 @@ index = 122, label = "C9H8-3 + CH3 <=> C10H11-16", degeneracy = 1.0, - kinetics = Arrhenius(A=(643, 'cm^3/(mol*s)'), n=2.8, Ea=(8.6, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(643,'cm^3/(mol*s)'), n=2.8, Ea=(8.6,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: C10H11""", + shortDesc = """Training reaction from kinetics library: C10H11""", longDesc = -u""" +""" Taken from entry: INDENE + CH3 <=> pdt27 """, ) @@ -2066,11 +1765,11 @@ index = 123, label = "C7H9-27 <=> C7H8-13 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.06e+10, 's^-1'), n=1.26, Ea=(28.1, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.06e+10,'s^-1'), n=1.26, Ea=(28.1,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: vinylCPD_H""", + shortDesc = """Training reaction from kinetics library: vinylCPD_H""", longDesc = -u""" +""" Taken from entry: product20 <=> TOLUENE + H """, ) @@ -2079,16 +1778,11 @@ index = 124, label = "C3H4-2 + C6H5 <=> C9H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.075e+06, 'cm^3/(mol*s)'), - n = 2.038, - Ea = (3.037, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.075e+06,'cm^3/(mol*s)'), n=2.038, Ea=(3.037,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + HCCCH3 <=> W1_2 """, ) @@ -2097,16 +1791,11 @@ index = 125, label = "C3H4-4 + C6H5 <=> C9H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (630400, 'cm^3/(mol*s)'), - n = 2.103, - Ea = (6.093, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(630400,'cm^3/(mol*s)'), n=2.103, Ea=(6.093,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + HCCCH3 <=> W3_4 """, ) @@ -2115,16 +1804,11 @@ index = 126, label = "C3H4 + C6H5 <=> C9H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28890, 'cm^3/(mol*s)'), - n = 2.595, - Ea = (3.241, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(28890,'cm^3/(mol*s)'), n=2.595, Ea=(3.241,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + H2CCCH2 <=> W6 """, ) @@ -2133,11 +1817,11 @@ index = 127, label = "C3H4-3 + C6H5 <=> C9H9-4", degeneracy = 2.0, - kinetics = Arrhenius(A=(4578, 'cm^3/(mol*s)'), n=2.53, Ea=(1.932, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4578,'cm^3/(mol*s)'), n=2.53, Ea=(1.932,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl + H2CCCH2 <=> W11 """, ) @@ -2146,16 +1830,11 @@ index = 128, label = "C2H2 + C7H7-3 <=> C9H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (892300, 'cm^3/(mol*s)'), - n = 2.091, - Ea = (11.371, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(892300,'cm^3/(mol*s)'), n=2.091, Ea=(11.371,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: benzyl + C2H2 <=> W20 """, ) @@ -2164,16 +1843,11 @@ index = 129, label = "C9H8-4 + H <=> C9H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.954e+07, 'cm^3/(mol*s)'), - n = 1.548, - Ea = (4.985, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.954e+07,'cm^3/(mol*s)'), n=1.548, Ea=(4.985,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W15 """, ) @@ -2182,16 +1856,11 @@ index = 130, label = "C9H8-5 + H <=> C9H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.514e+08, 'cm^3/(mol*s)'), - n = 1.545, - Ea = (3.073, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.514e+08,'cm^3/(mol*s)'), n=1.545, Ea=(3.073,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W22 """, ) @@ -2200,16 +1869,11 @@ index = 131, label = "C9H8-6 + H <=> C9H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.739e+10, 'cm^3/(mol*s)'), - n = 0.881, - Ea = (-0.465, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.739e+10,'cm^3/(mol*s)'), n=0.881, Ea=(-0.465,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W23 """, ) @@ -2218,16 +1882,11 @@ index = 132, label = "C9H8-7 + H <=> C9H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.379e+07, 'cm^3/(mol*s)'), - n = 1.723, - Ea = (7.429, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.379e+07,'cm^3/(mol*s)'), n=1.723, Ea=(7.429,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: Indene + H <=> W18 """, ) @@ -2236,16 +1895,11 @@ index = 133, label = "C9H8-8 + H <=> C9H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.639e+10, 'cm^3/(mol*s)'), - n = 1.06, - Ea = (4.834, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.639e+10,'cm^3/(mol*s)'), n=1.06, Ea=(4.834,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W1_2 """, ) @@ -2254,16 +1908,11 @@ index = 134, label = "C9H8-9 + H <=> C9H9-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.492e+10, 'cm^3/(mol*s)'), - n = 1.051, - Ea = (3.163, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.492e+10,'cm^3/(mol*s)'), n=1.051, Ea=(3.163,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W5 """, ) @@ -2272,16 +1921,11 @@ index = 135, label = "C9H8-10 + H <=> C9H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.175e+08, 'cm^3/(mol*s)'), - n = 1.505, - Ea = (2.462, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.175e+08,'cm^3/(mol*s)'), n=1.505, Ea=(2.462,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl-allene + H <=> W1_2 """, ) @@ -2290,16 +1934,11 @@ index = 136, label = "C9H8-11 + H <=> C9H9-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.339e+08, 'cm^3/(mol*s)'), - n = 1.587, - Ea = (2.425, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.339e+08,'cm^3/(mol*s)'), n=1.587, Ea=(2.425,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl-allene + H <=> W8_9 """, ) @@ -2308,16 +1947,11 @@ index = 137, label = "C9H8-12 + H <=> C9H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.113e+08, 'cm^3/(mol*s)'), - n = 1.511, - Ea = (4.384, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.113e+08,'cm^3/(mol*s)'), n=1.511, Ea=(4.384,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenyl-allene + H <=> W11 """, ) @@ -2326,16 +1960,11 @@ index = 138, label = "C9H8-13 + H <=> C9H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.255e+11, 'cm^3/(mol*s)'), - n = 1.005, - Ea = (3.143, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.255e+11,'cm^3/(mol*s)'), n=1.005, Ea=(3.143,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W11 """, ) @@ -2344,16 +1973,11 @@ index = 139, label = "C9H8-14 + H <=> C9H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.276e+10, 'cm^3/(mol*s)'), - n = 1.103, - Ea = (4.911, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.276e+10,'cm^3/(mol*s)'), n=1.103, Ea=(4.911,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W20 """, ) @@ -2362,16 +1986,11 @@ index = 140, label = "C8H6 + CH3 <=> C9H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (563200, 'cm^3/(mol*s)'), - n = 2.488, - Ea = (11.733, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(563200,'cm^3/(mol*s)'), n=2.488, Ea=(11.733,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenylacetylene + CH3 <=> W3_4 """, ) @@ -2380,16 +1999,11 @@ index = 141, label = "C8H6-2 + CH3 <=> C9H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (713400, 'cm^3/(mol*s)'), - n = 2.58, - Ea = (7.568, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(713400,'cm^3/(mol*s)'), n=2.58, Ea=(7.568,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C9H9_highP""", longDesc = -u""" +""" Taken from entry: phenylacetylene + CH3 <=> W5 """, ) @@ -2398,16 +2012,11 @@ index = 142, label = "C10H10-11 + H <=> C10H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.059e+08, 'cm^3/(mol*s)'), - n = 1.596, - Ea = (4.69, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.059e+08,'cm^3/(mol*s)'), n=1.596, Ea=(4.69,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: 3_methylindene + H <=> W1 """, ) @@ -2416,16 +2025,11 @@ index = 143, label = "C10H10-12 + H <=> C10H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.904e+08, 'cm^3/(mol*s)'), - n = 1.534, - Ea = (3.418, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.904e+08,'cm^3/(mol*s)'), n=1.534, Ea=(3.418,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: 1_methylindene + H <=> W1 """, ) @@ -2434,16 +2038,11 @@ index = 144, label = "C9H8-5 + CH3 <=> C10H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3206, 'cm^3/(mol*s)'), - n = 2.611, - Ea = (8.195, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3206,'cm^3/(mol*s)'), n=2.611, Ea=(8.195,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: Indene + CH3 <=> W1 """, ) @@ -2452,16 +2051,11 @@ index = 145, label = "C10H10-13 + H <=> C10H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.441e+08, 'cm^3/(mol*s)'), - n = 1.514, - Ea = (2.403, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.441e+08,'cm^3/(mol*s)'), n=1.514, Ea=(2.403,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: 2_methylindene + H <=> W2 """, ) @@ -2470,16 +2064,11 @@ index = 146, label = "C9H8-6 + CH3 <=> C10H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5064, 'cm^3/(mol*s)'), - n = 2.608, - Ea = (5.867, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5064,'cm^3/(mol*s)'), n=2.608, Ea=(5.867,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_Indene_CH3_highP""", longDesc = -u""" +""" Taken from entry: Indene + CH3 <=> W2 """, ) @@ -2488,11 +2077,11 @@ index = 147, label = "C4H6 + C6H5 <=> C10H11-22", degeneracy = 2.0, - kinetics = Arrhenius(A=(813000, 'cm^3/(mol*s)'), n=2.56, Ea=(0, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(813000,'cm^3/(mol*s)'), n=2.56, Ea=(0,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: phenyl + 1_3_butadiene <=> 4_phenyl_buten_3_yl """, ) @@ -2501,11 +2090,11 @@ index = 148, label = "C4H6-2 + C6H5 <=> C10H11-23", degeneracy = 2.0, - kinetics = Arrhenius(A=(47900, 'cm^3/(mol*s)'), n=2.65, Ea=(16.7, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(47900,'cm^3/(mol*s)'), n=2.65, Ea=(16.7,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: phenyl + 1_3_butadiene <=> 3_phenyl_buten_4_yl """, ) @@ -2514,11 +2103,11 @@ index = 149, label = "C10H11-24 <=> C10H10-14 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(6.61e+07, 's^-1'), n=2.11, Ea=(161.62, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(6.61e+07,'s^-1'), n=2.11, Ea=(161.62,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: 4_phenyl_buten_3_yl <=> 1_phenyl_1_3_butadiene + H """, ) @@ -2527,11 +2116,11 @@ index = 150, label = "C10H11-14 <=> C10H10-9 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.38e+10, 's^-1'), n=1.25, Ea=(92.6, 'kJ/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.38e+10,'s^-1'), n=1.25, Ea=(92.6,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2005_Ismail_C6H5_C4H6_highP""", longDesc = -u""" +""" Taken from entry: trihydronaphthalene <=> 1_4_dihydro_naphthalene + H """, ) @@ -2540,16 +2129,11 @@ index = 151, label = "C2H2 + C8H7 <=> C10H9-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.12e+07, 'cm^3/(mol*s)'), - n = 1.489, - Ea = (4.331, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.12e+07,'cm^3/(mol*s)'), n=1.489, Ea=(4.331,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: C6H4C2H3 + C2H2 <=> W5 """, ) @@ -2558,11 +2142,11 @@ index = 152, label = "C10H9-21 <=> C10H8-16 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.567e+11, 's^-1'), n=0.787, Ea=(28.205, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.567e+11,'s^-1'), n=0.787, Ea=(28.205,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W6 <=> P1 + H """, ) @@ -2571,11 +2155,11 @@ index = 153, label = "C10H9-22 <=> C10H8-17 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.191e+09, 's^-1'), n=1.264, Ea=(30.816, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.191e+09,'s^-1'), n=1.264, Ea=(30.816,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W8 <=> P2 + H """, ) @@ -2584,11 +2168,11 @@ index = 154, label = "C10H9-23 <=> C10H8-18 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.304e+10, 's^-1'), n=1.16, Ea=(37.552, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.304e+10,'s^-1'), n=1.16, Ea=(37.552,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W5 <=> P5 + H """, ) @@ -2597,11 +2181,11 @@ index = 155, label = "C10H9-24 <=> C10H8-19 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.05e+10, 's^-1'), n=1.329, Ea=(52.477, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.05e+10,'s^-1'), n=1.329, Ea=(52.477,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W101 <=> P2 + H """, ) @@ -2610,11 +2194,11 @@ index = 156, label = "C10H9-25 <=> C10H8-20 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.923e+11, 's^-1'), n=0.777, Ea=(40.274, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.923e+11,'s^-1'), n=0.777, Ea=(40.274,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W102 <=> P2 + H """, ) @@ -2623,11 +2207,11 @@ index = 157, label = "C10H9-26 <=> C10H8-21 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.568e+11, 's^-1'), n=0.972, Ea=(78.037, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.568e+11,'s^-1'), n=0.972, Ea=(78.037,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W103 <=> P105 + H """, ) @@ -2636,11 +2220,11 @@ index = 158, label = "C10H9-27 <=> C10H8-22 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(8.249e+08, 's^-1'), n=1.2, Ea=(27.426, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(8.249e+08,'s^-1'), n=1.2, Ea=(27.426,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W107 <=> P109 + H """, ) @@ -2649,11 +2233,11 @@ index = 159, label = "C10H9-28 <=> C10H8-23 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.956e+11, 's^-1'), n=0.789, Ea=(32.262, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.956e+11,'s^-1'), n=0.789, Ea=(32.262,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W118 <=> P1 + H """, ) @@ -2662,11 +2246,11 @@ index = 160, label = "C10H9-29 <=> C10H8-24 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.427e+09, 's^-1'), n=1.431, Ea=(66.532, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.427e+09,'s^-1'), n=1.431, Ea=(66.532,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W106 <=> P109 + H """, ) @@ -2675,11 +2259,11 @@ index = 161, label = "C10H9-30 <=> C10H8-25 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.893e+15, 's^-1'), n=-0.16, Ea=(65.494, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.893e+15,'s^-1'), n=-0.16, Ea=(65.494,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W108 <=> P109 + H """, ) @@ -2688,11 +2272,11 @@ index = 162, label = "C10H9-31 <=> C10H8-26 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.234e+12, 's^-1'), n=0.766, Ea=(43.611, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.234e+12,'s^-1'), n=0.766, Ea=(43.611,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2016_Mebel_C10H9_highP""", longDesc = -u""" +""" Taken from entry: W119 <=> P2 + H """, ) @@ -2701,11 +2285,11 @@ index = 163, label = "C10H10-16 <=> C10H9-32 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.401e+11, 's^-1'), n=0.549, Ea=(19.678, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.401e+11,'s^-1'), n=0.549, Ea=(19.678,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2012_Matsugi_C3H3_C7H7_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2012_Matsugi_C3H3_C7H7_highP""", longDesc = -u""" +""" Taken from entry: W14 <=> P9 + H """, ) @@ -2714,16 +2298,11 @@ index = 164, label = "C2H2 + C8H5 <=> C10H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.068e+06, 'cm^3/(mol*s)'), - n = 1.842, - Ea = (3.272, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.068e+06,'cm^3/(mol*s)'), n=1.842, Ea=(3.272,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: R1 + C2H2 <=> W1 """, ) @@ -2732,16 +2311,11 @@ index = 165, label = "C10H6 + H <=> C10H7-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.775e+09, 'cm^3/(mol*s)'), - n = 1.414, - Ea = (6.896, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.775e+09,'cm^3/(mol*s)'), n=1.414, Ea=(6.896,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P1 + H <=> W1 """, ) @@ -2750,16 +2324,11 @@ index = 166, label = "C10H6-2 + H <=> C10H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.586e+11, 'cm^3/(mol*s)'), - n = 0.743, - Ea = (0.228, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.586e+11,'cm^3/(mol*s)'), n=0.743, Ea=(0.228,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W2 """, ) @@ -2768,16 +2337,11 @@ index = 167, label = "C10H6-3 + H <=> C10H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.409e+12, 'cm^3/(mol*s)'), - n = 0.597, - Ea = (0.436, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.409e+12,'cm^3/(mol*s)'), n=0.597, Ea=(0.436,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P2 + H <=> W4 """, ) @@ -2786,16 +2350,11 @@ index = 168, label = "C10H6-4 + H <=> C10H7-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.179e+12, 'cm^3/(mol*s)'), - n = 0.61, - Ea = (0.09, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.179e+12,'cm^3/(mol*s)'), n=0.61, Ea=(0.09,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P3 + H <=> W4 """, ) @@ -2804,16 +2363,11 @@ index = 169, label = "C10H6-5 + H <=> C10H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.919e+13, 'cm^3/(mol*s)'), - n = 0.168, - Ea = (-0.002, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.919e+13,'cm^3/(mol*s)'), n=0.168, Ea=(-0.002,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P4 + H <=> W5 """, ) @@ -2822,16 +2376,11 @@ index = 170, label = "C10H6-6 + H <=> C10H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.919e+13, 'cm^3/(mol*s)'), - n = 0.168, - Ea = (-0.002, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.919e+13,'cm^3/(mol*s)'), n=0.168, Ea=(-0.002,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H4C2H_C2H2_highP""", longDesc = -u""" +""" Taken from entry: P5 + H <=> W7 """, ) @@ -2840,11 +2389,11 @@ index = 171, label = "C6H9-11 <=> C5H6-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(9.89e+14, 's^-1'), n=0, Ea=(38.9, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(9.89e+14,'s^-1'), n=0, Ea=(38.9,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: 2015_Wang_K_C6H9""", + shortDesc = """Training reaction from kinetics library: 2015_Wang_K_C6H9""", longDesc = -u""" +""" Taken from entry: Well_5 <=> CH3 + CPD """, ) @@ -2853,11 +2402,11 @@ index = 172, label = "C10H9-9 <=> C10H8-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.817e+11, 's^-1'), n=0.838, Ea=(38.356, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.817e+11,'s^-1'), n=0.838, Ea=(38.356,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", longDesc = -u""" +""" Taken from entry: W3 <=> P4 + H """, ) @@ -2866,16 +2415,11 @@ index = 173, label = "C2H2 + C8H7-2 <=> C10H9-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.081e+09, 'cm^3/(mol*s)'), - n = 1.21, - Ea = (6.756, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.081e+09,'cm^3/(mol*s)'), n=1.21, Ea=(6.756,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", longDesc = -u""" +""" Taken from entry: R2 + C2H2 <=> W3 """, ) @@ -2884,11 +2428,11 @@ index = 174, label = "C10H9-14 <=> C10H8-10 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.581e+10, 's^-1'), n=0.793, Ea=(14.523, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.581e+10,'s^-1'), n=0.793, Ea=(14.523,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5C2H2_C2H2_highP""", longDesc = -u""" +""" Taken from entry: W4 <=> P1 + H """, ) @@ -2897,11 +2441,11 @@ index = 175, label = "C8H7-3 <=> C8H6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.323e+10, 's^-1'), n=1.103, Ea=(38.251, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.323e+10,'s^-1'), n=1.103, Ea=(38.251,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", longDesc = -u""" +""" Taken from entry: W1 <=> P1 + H """, ) @@ -2910,16 +2454,11 @@ index = 176, label = "C2H2 + C6H5 <=> C8H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.954e+07, 'cm^3/(mol*s)'), - n = 1.638, - Ea = (3.448, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.954e+07,'cm^3/(mol*s)'), n=1.638, Ea=(3.448,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", + shortDesc = """Training reaction from kinetics library: First_to_Second_Aromatic_Ring/2017_Mebel_C6H5_C2H2_highP""", longDesc = -u""" +""" Taken from entry: R1 + C2H2 <=> W1 """, ) @@ -2928,16 +2467,11 @@ index = 177, label = "C6H6-2 + CH3 <=> C7H9-8", degeneracy = 6.0, - kinetics = Arrhenius( - A = (2195, 'cm^3/(mol*s)'), - n = 2.878, - Ea = (10.912, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2195,'cm^3/(mol*s)'), n=2.878, Ea=(10.912,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: benzene_1 + methyl_7 <=> C7H9_12 """, ) @@ -2946,11 +2480,11 @@ index = 178, label = "C7H9-9 <=> C7H8-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.217e+10, 's^-1'), n=0.87, Ea=(25.199, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.217e+10,'s^-1'), n=0.87, Ea=(25.199,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C7H9_12 <=> C7H8_17 + H_15 """, ) @@ -2959,16 +2493,11 @@ index = 179, label = "C2H2 + C7H7-3 <=> C9H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31630, 'cm^3/(mol*s)'), - n = 2.479, - Ea = (11.061, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(31630,'cm^3/(mol*s)'), n=2.479, Ea=(11.061,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C7H7_10 + ethyne_8 <=> C9H9_13 """, ) @@ -2977,11 +2506,11 @@ index = 180, label = "C9H9-9 <=> C9H8-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(3.597e+10, 's^-1'), n=0.889, Ea=(20.893, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(3.597e+10,'s^-1'), n=0.889, Ea=(20.893,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C9H9_14 <=> indene_25 + H_15 """, ) @@ -2990,16 +2519,11 @@ index = 181, label = "C6H6-2 + C3H3 <=> C9H9-19", degeneracy = 6.0, - kinetics = Arrhenius( - A = (144.6, 'cm^3/(mol*s)'), - n = 2.951, - Ea = (14.055, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(144.6,'cm^3/(mol*s)'), n=2.951, Ea=(14.055,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: benzene_1 + C3H3_9 <=> C9H9_2 """, ) @@ -3008,16 +2532,11 @@ index = 182, label = "C6H6-2 + C3H3-2 <=> C9H9-20", degeneracy = 6.0, - kinetics = Arrhenius( - A = (312.3, 'cm^3/(mol*s)'), - n = 2.973, - Ea = (16.396, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(312.3,'cm^3/(mol*s)'), n=2.973, Ea=(16.396,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: benzene_1 + C3H3_9 <=> C9H9_6 """, ) @@ -3026,11 +2545,11 @@ index = 183, label = "C9H9-6 <=> C9H8-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.591e+10, 's^-1'), n=0.886, Ea=(24.975, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.591e+10,'s^-1'), n=0.886, Ea=(24.975,'kcal/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction from kinetics library: kislovB""", + shortDesc = """Training reaction from kinetics library: kislovB""", longDesc = -u""" +""" Taken from entry: C9H9_5 <=> indene_25 + H_15 """, ) @@ -3039,18 +2558,11 @@ index = 184, label = "SO2 + H <=> HOSO", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.37e+08, 'cm^3/(mol*s)'), - n = 1.63, - Ea = (7339, 'cal/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1700, 'K'), - ), + kinetics = Arrhenius(A=(2.37e+08,'cm^3/(mol*s)'), n=1.63, Ea=(7339,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1700,'K')), rank = 1, - shortDesc = u"""Training reaction from kinetics library: primarySulfurLibrary""", + shortDesc = """Training reaction from kinetics library: primarySulfurLibrary""", longDesc = -u""" +""" M.A. Blitz, K.J. Hughes, M.J. Pilling, S.H. Robertson, J. Phys. Chem. A, 2006, 110(9), 2996-3009, doi: 10.1021/jp054722u As reported by Gimenez-Lopez, M. Martinez, A. Millera, R. Bilbao, M.U. Alzueta, Comb. Flame 2011, 158(1), 48-56, doi: 10.1016/j.combustflame.2010.07.017 @@ -3066,18 +2578,11 @@ index = 185, label = "N2 + H <=> NNH", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.6e+15, 'cm^3/(mol*s)'), - n = -0.64, - Ea = (15333, 'cal/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (25000, 'K'), - ), + kinetics = Arrhenius(A=(7.6e+15,'cm^3/(mol*s)'), n=-0.64, Ea=(15333,'cal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(25000,'K')), rank = 4, - shortDesc = u"""Training reaction from kinetics library: primaryNitrogenLibrary""", + shortDesc = """Training reaction from kinetics library: primaryNitrogenLibrary""", longDesc = -u""" +""" P.J.S.B. Caridade, S.P.J. Rodrigues, F. Sousa, A.J.C. Varandas, J. Phys. Chem. A ,2005, 109, 2356-2363, doi: 10.1021/jp045102g Fits to a total of 972 MRCI energies (based on the aug-cc-pVQZ basis set of Dunning27), scaled by the DMBE-SEC method to account for excitations higher than singles and doubles and the incompleteness of the one-electron basis set. @@ -3090,12 +2595,7 @@ index = 186, label = "H + C2H2O-2 <=> C2H3O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.82e-16, 'cm^3/(molecule*s)'), - n = 1.61, - Ea = (10992, 'J/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.82e-16,'cm^3/(molecule*s)'), n=1.61, Ea=(10992,'J/mol'), T0=(1,'K')), reference = Article( authors = ['Senosiain, J. P.', 'Klippenstein, S. J.', 'Miller, J. A.'], title = 'Pathways and Rate Coefficients for the Decomposition of Vinoxy and Acetyl Radicals', @@ -3107,7 +2607,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" RQCISD(T)/cc-pVinfZ //UQCISD/UB3LYP """, ) @@ -3116,12 +2616,7 @@ index = 187, label = "H + C2H2O <=> C2H3O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.3e-15, 'cm^3/(molecule*s)'), - n = 1.43, - Ea = (25318, 'J/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.3e-15,'cm^3/(molecule*s)'), n=1.43, Ea=(25318,'J/mol'), T0=(1,'K')), reference = Article( authors = ['Senosiain, J. P.', 'Klippenstein, S. J.', 'Miller, J. A.'], title = 'Pathways and Rate Coefficients for the Decomposition of Vinoxy and Acetyl Radicals', @@ -3133,7 +2628,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" RQCISD(T)/cc-pVinfZ //UQCISD/UB3LYP """, ) @@ -3142,7 +2637,7 @@ index = 188, label = "C2H3O-3 <=> C2H2O-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.43e+15, 's^-1'), n=-0.15, Ea=(190834, 'J/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.43e+15,'s^-1'), n=-0.15, Ea=(190834,'J/mol'), T0=(1,'K')), reference = Article( authors = ['Senosiain, J. P.', 'Klippenstein, S. J.', 'Miller, J. A.'], title = 'Pathways and Rate Coefficients for the Decomposition of Vinoxy and Acetyl Radicals', @@ -3154,7 +2649,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" RQCISD(T)/cc-pVinfZ //UQCISD/UB3LYP """, ) @@ -3163,12 +2658,7 @@ index = 189, label = "H + C4H2 <=> C4H3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.16e-14, 'cm^3/(molecule*s)'), - n = 1.119, - Ea = (1.672, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.16e-14,'cm^3/(molecule*s)'), n=1.119, Ea=(1.672,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Klippenstein, S. J.', 'Miller, J. A.'], title = 'The Addition of Hydrogen Atoms to Diacetylene and the Heats of Formation of i-C4H3 and n-C4H3', @@ -3180,7 +2670,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" The restricted QCISD(T)/inf barrier heights//B3LYP/6-311++G(d,p) These QCISD(T) calculations employed the correlation-consistent, polarized-valence, triple- (cc-pvtz) and quadruple- (cc-pvqz) basis sets and were extrapolated to the infinite basis-set limit via the expression """, @@ -3190,12 +2680,7 @@ index = 190, label = "H + C4H2-2 <=> C4H3-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.35e-14, 'cm^3/(molecule*s)'), - n = 1.305, - Ea = (5.018, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.35e-14,'cm^3/(molecule*s)'), n=1.305, Ea=(5.018,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Klippenstein, S. J.', 'Miller, J. A.'], title = 'The Addition of Hydrogen Atoms to Diacetylene and the Heats of Formation of i-C4H3 and n-C4H3', @@ -3207,7 +2692,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" The restricted QCISD(T)/ barrier heights//B3LYP/6-311++G(d,p) These QCISD(T) calculations employed the correlation-consistent, polarized-valence, triple- (cc-pvtz) and quadruple- (cc-pvqz) basis sets and were extrapolated to the infinite basis-set limit via the expression """, @@ -3217,12 +2702,7 @@ index = 191, label = "C4H4-5 + H <=> C4H5-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.802e+09, 'cm^3/(mol*s)'), - n = 1.467, - Ea = (0.65, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.802e+09,'cm^3/(mol*s)'), n=1.467, Ea=(0.65,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3234,7 +2714,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3243,12 +2723,7 @@ index = 192, label = "C4H4-6 + H <=> C4H5-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.644e+09, 'cm^3/(mol*s)'), - n = 1.533, - Ea = (1.858, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.644e+09,'cm^3/(mol*s)'), n=1.533, Ea=(1.858,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3260,7 +2735,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3269,12 +2744,7 @@ index = 193, label = "C4H4-7 + H <=> C4H5-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.246e+09, 'cm^3/(mol*s)'), - n = 1.429, - Ea = (3.987, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.246e+09,'cm^3/(mol*s)'), n=1.429, Ea=(3.987,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3286,7 +2756,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3295,12 +2765,7 @@ index = 194, label = "C4H4-3 + H <=> C4H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.156e+09, 'cm^3/(mol*s)'), - n = 1.502, - Ea = (2.371, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.156e+09,'cm^3/(mol*s)'), n=1.502, Ea=(2.371,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3312,7 +2777,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3321,12 +2786,7 @@ index = 195, label = "C4H4-2 + H <=> C4H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.642e+08, 'cm^3/(mol*s)'), - n = 1.548, - Ea = (4.546, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.642e+08,'cm^3/(mol*s)'), n=1.548, Ea=(4.546,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3338,7 +2798,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3347,12 +2807,7 @@ index = 196, label = "C2H2 + C2H3 <=> C4H5-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.168e+07, 'cm^3/(mol*s)'), - n = 1.997, - Ea = (5.452, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.168e+07,'cm^3/(mol*s)'), n=1.997, Ea=(5.452,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3364,7 +2819,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3373,12 +2828,7 @@ index = 197, label = "C4H4 + H <=> C4H5-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.163e+09, 'cm^3/(mol*s)'), - n = 1.493, - Ea = (1.378, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.163e+09,'cm^3/(mol*s)'), n=1.493, Ea=(1.378,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3390,7 +2840,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3399,12 +2849,7 @@ index = 198, label = "C4H4-8 + H <=> C4H5-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.466e+09, 'cm^3/(mol*s)'), - n = 1.473, - Ea = (1.273, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.466e+09,'cm^3/(mol*s)'), n=1.473, Ea=(1.273,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3416,7 +2861,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3425,12 +2870,7 @@ index = 199, label = "C4H4-4 + H <=> C4H5-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.726e+08, 'cm^3/(mol*s)'), - n = 1.617, - Ea = (4.056, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.726e+08,'cm^3/(mol*s)'), n=1.617, Ea=(4.056,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3442,7 +2882,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3451,7 +2891,7 @@ index = 200, label = "C4H5-3 <=> C4H4-5 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.385e+09, 's^-1'), n=1.347, Ea=(37.909, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.385e+09,'s^-1'), n=1.347, Ea=(37.909,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3463,7 +2903,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3472,7 +2912,7 @@ index = 201, label = "C4H5-4 <=> C4H4-6 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.905e+11, 's^-1'), n=0.877, Ea=(54.203, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.905e+11,'s^-1'), n=0.877, Ea=(54.203,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3484,7 +2924,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3493,7 +2933,7 @@ index = 202, label = "C4H5-5 <=> C4H4-7 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.575e+11, 's^-1'), n=0.753, Ea=(57.151, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.575e+11,'s^-1'), n=0.753, Ea=(57.151,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3505,7 +2945,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3514,7 +2954,7 @@ index = 203, label = "C4H5-6 <=> C4H4-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.976e+12, 's^-1'), n=0.79, Ea=(47.629, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.976e+12,'s^-1'), n=0.79, Ea=(47.629,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3526,7 +2966,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3535,7 +2975,7 @@ index = 204, label = "C4H5-7 <=> C4H4-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(5.502e+09, 's^-1'), n=1.257, Ea=(39.226, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(5.502e+09,'s^-1'), n=1.257, Ea=(39.226,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3547,7 +2987,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3556,7 +2996,7 @@ index = 205, label = "C4H5-8 <=> C2H2 + C2H3", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.898e+14, 's^-1'), n=0.366, Ea=(45.569, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.898e+14,'s^-1'), n=0.366, Ea=(45.569,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3568,7 +3008,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3577,7 +3017,7 @@ index = 206, label = "C4H5-9 <=> C4H4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(7.345e+09, 's^-1'), n=1.312, Ea=(45.774, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(7.345e+09,'s^-1'), n=1.312, Ea=(45.774,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3589,7 +3029,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3598,7 +3038,7 @@ index = 207, label = "C4H5-10 <=> C4H4-8 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.727e+09, 's^-1'), n=1.411, Ea=(56.058, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.727e+09,'s^-1'), n=1.411, Ea=(56.058,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3610,7 +3050,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3619,7 +3059,7 @@ index = 208, label = "C4H5-11 <=> C4H4-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.246e+09, 's^-1'), n=1.319, Ea=(35.573, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.246e+09,'s^-1'), n=1.319, Ea=(35.573,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Ribeiro, J. M.', 'Mebel, A. M.'], title = 'Reaction mechanism and product branching ratios of the CH + C3H4 reactions: a theoretical study', @@ -3631,7 +3071,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" CCSD(T)-F12/CBS//B2PLYPD3/cc-pVTZ """, ) @@ -3640,7 +3080,7 @@ index = 209, label = "C3H5O-2 <=> C2H2O-2 + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.977e+09, 's^-1'), n=1.37, Ea=(41.408, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.977e+09,'s^-1'), n=1.37, Ea=(41.408,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3652,7 +3092,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3661,7 +3101,7 @@ index = 210, label = "C3H5O-3 <=> C2H2O + CH3", degeneracy = 1.0, - kinetics = Arrhenius(A=(2.022e+12, 's^-1'), n=0.577, Ea=(41.055, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(2.022e+12,'s^-1'), n=0.577, Ea=(41.055,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3673,7 +3113,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3682,12 +3122,7 @@ index = 211, label = "C3H4-2 + OH <=> C3H5O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.508e+07, 'cm^3/(mol*s)'), - n = 1.628, - Ea = (-0.462, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.508e+07,'cm^3/(mol*s)'), n=1.628, Ea=(-0.462,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3699,7 +3134,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3708,12 +3143,7 @@ index = 212, label = "C3H4-4 + OH <=> C3H5O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.148e+06, 'cm^3/(mol*s)'), - n = 1.876, - Ea = (-0.423, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.148e+06,'cm^3/(mol*s)'), n=1.876, Ea=(-0.423,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3725,7 +3155,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3734,12 +3164,7 @@ index = 213, label = "C3H4-3 + OH <=> C3H5O-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.973e+06, 'cm^3/(mol*s)'), - n = 2.037, - Ea = (-1.433, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.973e+06,'cm^3/(mol*s)'), n=2.037, Ea=(-1.433,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3751,7 +3176,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3760,12 +3185,7 @@ index = 214, label = "C3H4 + OH <=> C3H5O-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (41610, 'cm^3/(mol*s)'), - n = 2.487, - Ea = (-1.81, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(41610,'cm^3/(mol*s)'), n=2.487, Ea=(-1.81,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Zador, J.', 'Miller, J. A.'], title = 'Adventures on the C3H5O potential energy surface: OH + propyne, OH + allene and related reactions', @@ -3777,7 +3197,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" UCCSD(T)-F12b/cc-pVQZ-F12//M06-2X/6-311++G(d,p) """, ) @@ -3786,7 +3206,7 @@ index = 215, label = "C7H7-4 <=> C7H6-2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.06e+10, 's^-1'), n=1.16, Ea=(26.18, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.06e+10,'s^-1'), n=1.16, Ea=(26.18,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -3798,7 +3218,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -3807,7 +3227,7 @@ index = 216, label = "C7H7-5 <=> C7H6-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.02e+13, 's^-1'), n=0.34, Ea=(46.7, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.02e+13,'s^-1'), n=0.34, Ea=(46.7,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['da Silva, G.', 'Cole, J. A.', 'Bozzelli, J. W.'], title = 'Kinetics of the Cyclopentadienyl + Acetylene, Fulvenallene + H, and 1-Ethynylcyclopentadiene + H Reactions', @@ -3819,7 +3239,7 @@ referenceType = "theory", rank = 4, longDesc = -u""" +""" G3SX//B3LYP/6-31G(2df,p) """, ) @@ -3828,12 +3248,7 @@ index = 217, label = "C7H8-14 + H <=> C7H9-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.726e+07, 'cm^3/(mol*s)'), - n = 1.725, - Ea = (2.395, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.726e+07,'cm^3/(mol*s)'), n=1.725, Ea=(2.395,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Bao, J. L.', 'Zheng, J.', 'Truhlar, D. G.'], title = 'Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory', @@ -3845,7 +3260,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" System-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The MPW1K/MG3S level of theory """, ) @@ -3854,12 +3269,7 @@ index = 218, label = "C7H8-15 + H <=> C7H9-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.757e+07, 'cm^3/(mol*s)'), - n = 1.859, - Ea = (2.679, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.757e+07,'cm^3/(mol*s)'), n=1.859, Ea=(2.679,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Bao, J. L.', 'Zheng, J.', 'Truhlar, D. G.'], title = 'Kinetics of Hydrogen Radical Reactions with Toluene Including Chemical Activation Theory Employing System-Specific Quantum RRK Theory Calibrated by Variational Transition State Theory', @@ -3871,7 +3281,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" System-specific (SS) QRRK approach is adjusted with SS parameters to agree with multistructural canonical variational transition state theory with multidimensional tunneling (MS-CVT/SCT) at the high-pressure limit. The MPW1K/MG3S level of theory """, ) @@ -3880,18 +3290,11 @@ index = 219, label = "CH3 + C2H4 <=> C3H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (41800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5559, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(41800,'cm^3/(mol*s)'), n=2.41, Ea=(23.5559,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-HHH """, ) @@ -3900,18 +3303,11 @@ index = 220, label = "C2H4 + C2H5 <=> C4H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4240,'cm^3/(mol*s)'), n=2.41, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CsHH """, ) @@ -3920,18 +3316,11 @@ index = 221, label = "C2H4 + C3H7-2 <=> C5H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1921, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3400,'cm^3/(mol*s)'), n=2.41, Ea=(16.1921,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CsCsH """, ) @@ -3940,18 +3329,11 @@ index = 222, label = "C2H4 + C4H9 <=> C6H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2520,'cm^3/(mol*s)'), n=2.41, Ea=(10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CsCsCs """, ) @@ -3960,18 +3342,11 @@ index = 223, label = "allyl + C2H4 <=> pent1en5yl", degeneracy = 4.0, - kinetics = Arrhenius( - A = (88400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.8733, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88400,'cm^3/(mol*s)'), n=2.41, Ea=(49.8733,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdHH """, ) @@ -3980,18 +3355,11 @@ index = 224, label = "C4H7-2 + C2H4 <=> C6H11-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.8691, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7680,'cm^3/(mol*s)'), n=2.41, Ea=(48.8691,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCsH """, ) @@ -4000,18 +3368,11 @@ index = 225, label = "C5H9 + C2H4 <=> C7H13-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (994, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.8106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(994,'cm^3/(mol*s)'), n=2.41, Ea=(44.8106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCsCs """, ) @@ -4020,18 +3381,11 @@ index = 226, label = "C5H7-3 + C2H4 <=> C7H11-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.8686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15500,'cm^3/(mol*s)'), n=2.41, Ea=(68.8686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCdH """, ) @@ -4040,18 +3394,11 @@ index = 227, label = "C6H9-12 + C2H4 <=> C8H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.1155, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5300,'cm^3/(mol*s)'), n=2.41, Ea=(68.1155,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CdCdCs """, ) @@ -4060,18 +3407,11 @@ index = 228, label = "C2H4 + C7H7-3 <=> C9H11-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(40.1246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CbHH """, ) @@ -4080,18 +3420,11 @@ index = 229, label = "C2H4 + C8H9 <=> C10H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5040,'cm^3/(mol*s)'), n=2.41, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CbCsH """, ) @@ -4100,18 +3433,11 @@ index = 230, label = "C2H4 + C9H11-15 <=> C11H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (806, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.9782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(806,'cm^3/(mol*s)'), n=2.41, Ea=(34.9782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CbCsCs """, ) @@ -4120,18 +3446,11 @@ index = 231, label = "C3H3 + C2H4 <=> C5H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.1204, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18920,'cm^3/(mol*s)'), n=2.41, Ea=(39.1204,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CtHH """, ) @@ -4140,18 +3459,11 @@ index = 232, label = "C4H5-12 + C2H4 <=> C6H9-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.1539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4260,'cm^3/(mol*s)'), n=2.41, Ea=(37.1539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CtCsH """, ) @@ -4160,18 +3472,11 @@ index = 233, label = "C5H7-5 + C2H4 <=> C7H11-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1088, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1088,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-CtCsCs """, ) @@ -4180,18 +3485,11 @@ index = 234, label = "C2H3 + C2H4 <=> C4H7-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (28600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28600,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CdsJ-H """, ) @@ -4200,18 +3498,11 @@ index = 235, label = "C3H5 + C2H4 <=> C5H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.65256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15180,'cm^3/(mol*s)'), n=2.41, Ea=(6.65256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CdsJ-Cs """, ) @@ -4220,18 +3511,11 @@ index = 236, label = "C2H4 + C6H5 <=> C8H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (45200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.46856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(45200,'cm^3/(mol*s)'), n=2.41, Ea=(-2.46856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CbJ """, ) @@ -4240,18 +3524,11 @@ index = 237, label = "CH3 + propene_1 <=> C4H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.2589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(22.2589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-HHH """, ) @@ -4260,18 +3537,11 @@ index = 238, label = "propene_1 + C2H5 <=> C5H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2130,'cm^3/(mol*s)'), n=2.41, Ea=(19.874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CsHH """, ) @@ -4280,18 +3550,11 @@ index = 239, label = "propene_1 + C3H7-2 <=> C6H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8532, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1710,'cm^3/(mol*s)'), n=2.41, Ea=(14.8532,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CsCsH """, ) @@ -4300,18 +3563,11 @@ index = 240, label = "propene_1 + C4H9 <=> C7H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.95376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1270,'cm^3/(mol*s)'), n=2.41, Ea=(8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CsCsCs """, ) @@ -4320,18 +3576,11 @@ index = 241, label = "allyl + propene_1 <=> hex1en5yl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(48.5762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdHH """, ) @@ -4340,18 +3589,11 @@ index = 242, label = "C4H7-2 + propene_1 <=> C7H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5721, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3860,'cm^3/(mol*s)'), n=2.41, Ea=(47.5721,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCsH """, ) @@ -4360,18 +3602,11 @@ index = 243, label = "C5H9 + propene_1 <=> C8H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (499, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(499,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCsCs """, ) @@ -4380,18 +3615,11 @@ index = 244, label = "C5H7-3 + propene_1 <=> C8H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.5716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7780,'cm^3/(mol*s)'), n=2.41, Ea=(67.5716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCdH """, ) @@ -4400,18 +3628,11 @@ index = 245, label = "C6H9-12 + propene_1 <=> C9H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.8185, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(66.8185,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CdCdCs """, ) @@ -4420,18 +3641,11 @@ index = 246, label = "propene_1 + C7H7-3 <=> C10H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.8275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(38.8275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CbHH """, ) @@ -4440,18 +3654,11 @@ index = 247, label = "propene_1 + C8H9 <=> C11H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8987, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(35.8987,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CbCsH """, ) @@ -4460,18 +3667,11 @@ index = 248, label = "propene_1 + C9H11-15 <=> C12H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (404, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(404,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CbCsCs """, ) @@ -4480,18 +3680,11 @@ index = 249, label = "C3H3 + propene_1 <=> C6H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9500,'cm^3/(mol*s)'), n=2.41, Ea=(37.7815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CtHH """, ) @@ -4500,18 +3693,11 @@ index = 250, label = "C4H5-12 + propene_1 <=> C7H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CtCsH """, ) @@ -4520,18 +3706,11 @@ index = 251, label = "C5H7-5 + propene_1 <=> C8H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (546, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(546,'cm^3/(mol*s)'), n=2.41, Ea=(33.0118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-CtCsCs """, ) @@ -4540,18 +3719,11 @@ index = 252, label = "C2H3 + propene_1 <=> C5H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.23416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14400,'cm^3/(mol*s)'), n=2.41, Ea=(6.23416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CdsJ-H """, ) @@ -4560,18 +3732,11 @@ index = 253, label = "C3H5 + propene_1 <=> C6H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7620,'cm^3/(mol*s)'), n=2.41, Ea=(5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CdsJ-Cs """, ) @@ -4580,18 +3745,11 @@ index = 254, label = "propene_1 + C6H5 <=> C9H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.7656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22700,'cm^3/(mol*s)'), n=2.41, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CbJ """, ) @@ -4600,18 +3758,11 @@ index = 255, label = "CH3 + C4H8 <=> C5H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.6271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26400,'cm^3/(mol*s)'), n=2.41, Ea=(20.6271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-HHH """, ) @@ -4620,18 +3771,11 @@ index = 256, label = "C4H8 + C2H5 <=> C6H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(18.2422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CsHH """, ) @@ -4640,18 +3784,11 @@ index = 257, label = "C4H8 + C3H7-2 <=> C7H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2150,'cm^3/(mol*s)'), n=2.41, Ea=(13.2633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CsCsH """, ) @@ -4660,18 +3797,11 @@ index = 258, label = "C4H8 + C4H9 <=> C8H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1590,'cm^3/(mol*s)'), n=2.41, Ea=(7.322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -4680,18 +3810,11 @@ index = 259, label = "allyl + C4H8 <=> C7H13-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (55800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9445, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(55800,'cm^3/(mol*s)'), n=2.41, Ea=(46.9445,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdHH """, ) @@ -4700,18 +3823,11 @@ index = 260, label = "C4H7-2 + C4H8 <=> C8H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCsH """, ) @@ -4720,18 +3836,11 @@ index = 261, label = "C5H9 + C4H8 <=> C9H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (628, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(628,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -4740,18 +3849,11 @@ index = 262, label = "C5H7-3 + C4H8 <=> C9H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.9817, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9790,'cm^3/(mol*s)'), n=2.41, Ea=(65.9817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCdH """, ) @@ -4760,18 +3862,11 @@ index = 263, label = "C6H9-12 + C4H8 <=> C10H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.1867, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(65.1867,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -4780,18 +3875,11 @@ index = 264, label = "C4H8 + C7H7-3 <=> C11H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12900,'cm^3/(mol*s)'), n=2.41, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CbHH """, ) @@ -4800,18 +3888,11 @@ index = 265, label = "C4H8 + C8H9 <=> C12H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CbCsH """, ) @@ -4820,18 +3901,11 @@ index = 266, label = "C4H8 + C9H11-15 <=> C13H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (509, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(509,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -4840,18 +3914,11 @@ index = 267, label = "C3H3 + C4H8 <=> C7H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1916, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12000,'cm^3/(mol*s)'), n=2.41, Ea=(36.1916,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CtHH """, ) @@ -4860,18 +3927,11 @@ index = 268, label = "C4H5-12 + C4H8 <=> C8H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2690,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CtCsH """, ) @@ -4880,18 +3940,11 @@ index = 269, label = "C5H7-5 + C4H8 <=> C9H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (687, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.38, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(687,'cm^3/(mol*s)'), n=2.41, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -4900,18 +3953,11 @@ index = 270, label = "C2H3 + C4H8 <=> C6H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CdsJ-H """, ) @@ -4920,18 +3966,11 @@ index = 271, label = "C3H5 + C4H8 <=> C7H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9580,'cm^3/(mol*s)'), n=2.41, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CdsJ-Cs """, ) @@ -4940,18 +3979,11 @@ index = 272, label = "C4H8 + C6H5 <=> C10H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.35552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28600,'cm^3/(mol*s)'), n=2.41, Ea=(-5.35552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;CbJ """, ) @@ -4960,18 +3992,11 @@ index = 273, label = "CH3 + C4H6 <=> C5H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (47200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5437, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(47200,'cm^3/(mol*s)'), n=2.41, Ea=(10.5437,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-HHH """, ) @@ -4980,18 +4005,11 @@ index = 274, label = "C4H6 + C2H5 <=> C6H11-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.1588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4780,'cm^3/(mol*s)'), n=2.41, Ea=(8.1588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CsHH """, ) @@ -5000,18 +4018,11 @@ index = 275, label = "C4H6 + C3H7-2 <=> C7H13-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.17984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3840,'cm^3/(mol*s)'), n=2.41, Ea=(3.17984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CsCsH """, ) @@ -5020,18 +4031,11 @@ index = 276, label = "C4H6 + C4H9 <=> C8H15-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.76144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2840,'cm^3/(mol*s)'), n=2.41, Ea=(-2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CsCsCs """, ) @@ -5040,18 +4044,11 @@ index = 277, label = "allyl + C4H6 <=> C7H11-10", degeneracy = 4.0, - kinetics = Arrhenius( - A = (99600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.861, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(99600,'cm^3/(mol*s)'), n=2.41, Ea=(36.861,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdHH """, ) @@ -5060,18 +4057,11 @@ index = 278, label = "C4H7-2 + C4H6 <=> C8H13-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8660,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCsH """, ) @@ -5080,18 +4070,11 @@ index = 279, label = "C5H9 + C4H6 <=> C9H15-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1122, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1122,'cm^3/(mol*s)'), n=2.41, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCsCs """, ) @@ -5100,18 +4083,11 @@ index = 280, label = "C4H6 + C5H7-3 <=> C9H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8982, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17480,'cm^3/(mol*s)'), n=2.41, Ea=(55.8982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCdH """, ) @@ -5120,18 +4096,11 @@ index = 281, label = "C6H9-12 + C4H6 <=> C10H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.1451, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5960,'cm^3/(mol*s)'), n=2.41, Ea=(55.1451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CdCdCs """, ) @@ -5140,18 +4109,11 @@ index = 282, label = "C4H6 + C7H7-3 <=> C11H13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23000,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CbHH """, ) @@ -5160,18 +4122,11 @@ index = 283, label = "C4H6 + C8H9 <=> C12H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5680,'cm^3/(mol*s)'), n=2.41, Ea=(24.2254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CbCsH """, ) @@ -5180,18 +4135,11 @@ index = 284, label = "C4H6 + C9H11-15 <=> C13H17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (908, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(908,'cm^3/(mol*s)'), n=2.41, Ea=(21.966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CbCsCs """, ) @@ -5200,18 +4148,11 @@ index = 285, label = "C3H3 + C4H6 <=> C7H9-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(26.1082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CtHH """, ) @@ -5220,18 +4161,11 @@ index = 286, label = "C4H5-12 + C4H6 <=> C8H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.1835, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4800,'cm^3/(mol*s)'), n=2.41, Ea=(24.1835,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CtCsH """, ) @@ -5240,18 +4174,11 @@ index = 287, label = "C5H7-5 + C4H6 <=> C9H13-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1228, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.3384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1228,'cm^3/(mol*s)'), n=2.41, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CsJ-CtCsCs """, ) @@ -5260,18 +4187,11 @@ index = 288, label = "C2H3 + C4H6 <=> C6H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (490, 'cm^3/(mol*s)'), - n = 3.08, - Ea = (5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(490,'cm^3/(mol*s)'), n=3.08, Ea=(5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte. Update BMK/6-311G(2d,d,p) Eckart no HR.""", + shortDesc = """Aaron Vandeputte. Update BMK/6-311G(2d,d,p) Eckart no HR.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CdsJ-H """, ) @@ -5280,18 +4200,11 @@ index = 289, label = "C3H5 + C4H6 <=> C7H11-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.35968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.35968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CdsJ-Cs """, ) @@ -5300,18 +4213,11 @@ index = 290, label = "C4H6 + C6H5 <=> C10H11-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (51000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-15.439, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51000,'cm^3/(mol*s)'), n=2.41, Ea=(-15.439,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;CbJ """, ) @@ -5320,18 +4226,11 @@ index = 291, label = "CH3 + C5H8 <=> C6H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26800,'cm^3/(mol*s)'), n=2.41, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-HHH """, ) @@ -5340,18 +4239,11 @@ index = 292, label = "C5H8 + C2H5 <=> C7H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.40152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2720,'cm^3/(mol*s)'), n=2.41, Ea=(6.40152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CsHH """, ) @@ -5360,18 +4252,11 @@ index = 293, label = "C5H8 + C3H7-2 <=> C8H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2180,'cm^3/(mol*s)'), n=2.41, Ea=(1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CsCsH """, ) @@ -5380,18 +4265,11 @@ index = 294, label = "C5H8 + C4H9 <=> C9H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.47688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(-4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -5400,18 +4278,11 @@ index = 295, label = "allyl + C5H8 <=> C8H13-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (56400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56400,'cm^3/(mol*s)'), n=2.41, Ea=(35.1038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdHH """, ) @@ -5420,18 +4291,11 @@ index = 296, label = "C5H8 + C4H7-2 <=> C9H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0996, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4920,'cm^3/(mol*s)'), n=2.41, Ea=(34.0996,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCsH """, ) @@ -5440,18 +4304,11 @@ index = 297, label = "C5H9 + C5H8 <=> C10H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (636, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.0411, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(636,'cm^3/(mol*s)'), n=2.41, Ea=(30.0411,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -5460,18 +4317,11 @@ index = 298, label = "C5H7-3 + C5H8 <=> C10H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9920,'cm^3/(mol*s)'), n=2.41, Ea=(54.141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCdH """, ) @@ -5480,18 +4330,11 @@ index = 299, label = "C5H8 + C6H9-12 <=> C11H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -5500,18 +4343,11 @@ index = 300, label = "C5H8 + C7H7-3 <=> C12H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.3969, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13100,'cm^3/(mol*s)'), n=2.41, Ea=(25.3969,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CbHH """, ) @@ -5520,18 +4356,11 @@ index = 301, label = "C5H8 + C8H9 <=> C13H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3220,'cm^3/(mol*s)'), n=2.41, Ea=(22.4681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CbCsH """, ) @@ -5540,18 +4369,11 @@ index = 302, label = "C5H8 + C9H11-15 <=> C14H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (515, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2087, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(515,'cm^3/(mol*s)'), n=2.41, Ea=(20.2087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -5560,18 +4382,11 @@ index = 303, label = "C3H3 + C5H8 <=> C8H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12100,'cm^3/(mol*s)'), n=2.41, Ea=(24.3509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CtHH """, ) @@ -5580,18 +4395,11 @@ index = 304, label = "C4H5-12 + C5H8 <=> C9H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2730,'cm^3/(mol*s)'), n=2.41, Ea=(22.4262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CtCsH """, ) @@ -5600,18 +4408,11 @@ index = 305, label = "C5H7-5 + C5H8 <=> C10H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (696, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.5811, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(696,'cm^3/(mol*s)'), n=2.41, Ea=(19.5811,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -5620,18 +4421,11 @@ index = 306, label = "C2H3 + C5H8 <=> C7H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.23832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18300,'cm^3/(mol*s)'), n=2.41, Ea=(-7.23832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CdsJ-H """, ) @@ -5640,18 +4434,11 @@ index = 307, label = "C3H5 + C5H8 <=> C8H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9710,'cm^3/(mol*s)'), n=2.41, Ea=(-8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CdsJ-Cs """, ) @@ -5660,18 +4447,11 @@ index = 308, label = "C5H8 + C6H5 <=> C11H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-17.1962, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28900,'cm^3/(mol*s)'), n=2.41, Ea=(-17.1962,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;CbJ """, ) @@ -5680,18 +4460,11 @@ index = 309, label = "CH3 + C6H8-7 <=> C7H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (81600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(81600,'cm^3/(mol*s)'), n=2.41, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-HHH """, ) @@ -5700,18 +4473,11 @@ index = 310, label = "C6H8-7 + C2H5 <=> C8H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.63592, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8280,'cm^3/(mol*s)'), n=2.41, Ea=(2.63592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CsHH """, ) @@ -5720,18 +4486,11 @@ index = 311, label = "C6H8-7 + C3H7-2 <=> C9H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(-2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CsCsH """, ) @@ -5740,18 +4499,11 @@ index = 312, label = "C6H8-7 + C4H9 <=> C10H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.28432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4920,'cm^3/(mol*s)'), n=2.41, Ea=(-8.28432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -5760,18 +4512,11 @@ index = 313, label = "C6H8-7 + allyl <=> C9H13-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (172200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.3382, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(172200,'cm^3/(mol*s)'), n=2.41, Ea=(31.3382,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdHH """, ) @@ -5780,18 +4525,11 @@ index = 314, label = "C6H8-7 + C4H7-2 <=> C10H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(30.334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCsH """, ) @@ -5800,18 +4538,11 @@ index = 315, label = "C6H8-7 + C5H9 <=> C11H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2755, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1940,'cm^3/(mol*s)'), n=2.41, Ea=(26.2755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -5820,18 +4551,11 @@ index = 316, label = "C6H8-7 + C5H7-3 <=> C11H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.3754, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30200,'cm^3/(mol*s)'), n=2.41, Ea=(50.3754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCdH """, ) @@ -5840,18 +4564,11 @@ index = 317, label = "C6H9-12 + C6H8-7 <=> C12H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6222, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(49.6222,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -5860,18 +4577,11 @@ index = 318, label = "C6H8-7 + C7H7-3 <=> C13H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.6313, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39900,'cm^3/(mol*s)'), n=2.41, Ea=(21.6313,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CbHH """, ) @@ -5880,18 +4590,11 @@ index = 319, label = "C6H8-7 + C8H9 <=> C14H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.7025, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9820,'cm^3/(mol*s)'), n=2.41, Ea=(18.7025,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CbCsH """, ) @@ -5900,18 +4603,11 @@ index = 320, label = "C6H8-7 + C9H11-15 <=> C15H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -5920,18 +4616,11 @@ index = 321, label = "C3H3 + C6H8-7 <=> C9H11-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36900,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CtHH """, ) @@ -5940,18 +4629,11 @@ index = 322, label = "C4H5-12 + C6H8-7 <=> C10H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6606, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8320,'cm^3/(mol*s)'), n=2.41, Ea=(18.6606,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CtCsH """, ) @@ -5960,18 +4642,11 @@ index = 323, label = "C5H7-5 + C6H8-7 <=> C11H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2120,'cm^3/(mol*s)'), n=2.41, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -5980,18 +4655,11 @@ index = 324, label = "C2H3 + C6H8-7 <=> C8H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (55800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.0039, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(55800,'cm^3/(mol*s)'), n=2.41, Ea=(-11.0039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CdsJ-H """, ) @@ -6000,18 +4668,11 @@ index = 325, label = "C3H5 + C6H8-7 <=> C9H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29600,'cm^3/(mol*s)'), n=2.41, Ea=(-11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CdsJ-Cs """, ) @@ -6020,18 +4681,11 @@ index = 326, label = "C6H8-7 + C6H5 <=> C12H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (88100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88100,'cm^3/(mol*s)'), n=2.41, Ea=(-20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;CbJ """, ) @@ -6040,18 +4694,11 @@ index = 327, label = "CH3 + C8H8 <=> C9H11-1", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9075, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7700,'cm^3/(mol*s)'), n=2.41, Ea=(17.9075,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-HHH """, ) @@ -6060,18 +4707,11 @@ index = 328, label = "C8H8 + C2H5 <=> C10H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (782, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.5226, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(782,'cm^3/(mol*s)'), n=2.41, Ea=(15.5226,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CsHH """, ) @@ -6080,18 +4720,11 @@ index = 329, label = "C8H8 + C3H7-2 <=> C11H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (627, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(627,'cm^3/(mol*s)'), n=2.41, Ea=(10.5018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CsCsH """, ) @@ -6100,18 +4733,11 @@ index = 330, label = "C8H8 + C4H9 <=> C12H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (464, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(464,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CsCsCs """, ) @@ -6120,18 +4746,11 @@ index = 331, label = "allyl + C8H8 <=> C11H13-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.2249, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16240,'cm^3/(mol*s)'), n=2.41, Ea=(44.2249,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdHH """, ) @@ -6140,18 +4759,11 @@ index = 332, label = "C4H7-2 + C8H8 <=> C12H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1410,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCsH """, ) @@ -6160,18 +4772,11 @@ index = 333, label = "C5H9 + C8H8 <=> C13H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (183, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.1204, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(183,'cm^3/(mol*s)'), n=2.41, Ea=(39.1204,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCsCs """, ) @@ -6180,18 +4785,11 @@ index = 334, label = "C5H7-3 + C8H8 <=> C13H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.2202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2850,'cm^3/(mol*s)'), n=2.41, Ea=(63.2202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCdH """, ) @@ -6200,18 +4798,11 @@ index = 335, label = "C6H9-12 + C8H8 <=> C14H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (974, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.4671, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(974,'cm^3/(mol*s)'), n=2.41, Ea=(62.4671,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CdCdCs """, ) @@ -6220,18 +4811,11 @@ index = 336, label = "C8H8 + C7H7-3 <=> C15H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CbHH """, ) @@ -6240,18 +4824,11 @@ index = 337, label = "C8H8 + C8H9 <=> C16H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (926, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5474, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(926,'cm^3/(mol*s)'), n=2.41, Ea=(31.5474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CbCsH """, ) @@ -6260,18 +4837,11 @@ index = 338, label = "C8H8 + C9H11-15 <=> C17H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (148, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3298, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(148,'cm^3/(mol*s)'), n=2.41, Ea=(29.3298,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CbCsCs """, ) @@ -6280,18 +4850,11 @@ index = 339, label = "C3H3 + C8H8 <=> C11H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.4302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3480,'cm^3/(mol*s)'), n=2.41, Ea=(33.4302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CtHH """, ) @@ -6300,18 +4863,11 @@ index = 340, label = "C4H5-12 + C8H8 <=> C12H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (785, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5055, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(785,'cm^3/(mol*s)'), n=2.41, Ea=(31.5055,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CtCsH """, ) @@ -6320,18 +4876,11 @@ index = 341, label = "C5H7-5 + C8H8 <=> C13H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(200,'cm^3/(mol*s)'), n=2.41, Ea=(28.6604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CsJ-CtCsCs """, ) @@ -6340,18 +4889,11 @@ index = 342, label = "C2H3 + C8H8 <=> C10H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.8828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5270,'cm^3/(mol*s)'), n=2.41, Ea=(1.8828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CdsJ-H """, ) @@ -6360,18 +4902,11 @@ index = 343, label = "C3H5 + C8H8 <=> C11H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.96232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(0.96232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CdsJ-Cs """, ) @@ -6380,18 +4915,11 @@ index = 344, label = "C8H8 + C6H5 <=> C14H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8320,'cm^3/(mol*s)'), n=2.41, Ea=(-8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;CbJ """, ) @@ -6400,18 +4928,11 @@ index = 345, label = "CH3 + C9H10-10 <=> C10H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.2381, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16300,'cm^3/(mol*s)'), n=2.41, Ea=(17.2381,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-HHH """, ) @@ -6420,18 +4941,11 @@ index = 346, label = "C9H10-10 + C2H5 <=> C11H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8532, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1660,'cm^3/(mol*s)'), n=2.41, Ea=(14.8532,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CsHH """, ) @@ -6440,18 +4954,11 @@ index = 347, label = "C9H10-10 + C3H7-2 <=> C12H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1330,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CsCsH """, ) @@ -6460,18 +4967,11 @@ index = 348, label = "C9H10-10 + C4H9 <=> C13H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (985, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(985,'cm^3/(mol*s)'), n=2.41, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -6480,18 +4980,11 @@ index = 349, label = "allyl + C9H10-10 <=> C12H15-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (34400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34400,'cm^3/(mol*s)'), n=2.41, Ea=(43.5554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdHH """, ) @@ -6500,18 +4993,11 @@ index = 350, label = "C4H7-2 + C9H10-10 <=> C13H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5513, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3000,'cm^3/(mol*s)'), n=2.41, Ea=(42.5513,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCsH """, ) @@ -6520,18 +5006,11 @@ index = 351, label = "C5H9 + C9H10-10 <=> C14H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (388, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.451, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(388,'cm^3/(mol*s)'), n=2.41, Ea=(38.451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -6540,18 +5019,11 @@ index = 352, label = "C5H7-3 + C9H10-10 <=> C14H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.5508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6050,'cm^3/(mol*s)'), n=2.41, Ea=(62.5508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCdH """, ) @@ -6560,18 +5032,11 @@ index = 353, label = "C6H9-12 + C9H10-10 <=> C15H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.7977, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2070,'cm^3/(mol*s)'), n=2.41, Ea=(61.7977,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -6580,18 +5045,11 @@ index = 354, label = "C9H10-10 + C7H7-3 <=> C16H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8067, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7990,'cm^3/(mol*s)'), n=2.41, Ea=(33.8067,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CbHH """, ) @@ -6600,18 +5058,11 @@ index = 355, label = "C9H10-10 + C8H9 <=> C17H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1960,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CbCsH """, ) @@ -6620,18 +5071,11 @@ index = 356, label = "C9H10-10 + C9H11-15 <=> C18H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (314, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(314,'cm^3/(mol*s)'), n=2.41, Ea=(28.6604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -6640,18 +5084,11 @@ index = 357, label = "C3H3 + C9H10-10 <=> C12H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7607, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7380,'cm^3/(mol*s)'), n=2.41, Ea=(32.7607,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CtHH """, ) @@ -6660,18 +5097,11 @@ index = 358, label = "C4H5-12 + C9H10-10 <=> C13H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8361, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1660,'cm^3/(mol*s)'), n=2.41, Ea=(30.8361,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CtCsH """, ) @@ -6680,18 +5110,11 @@ index = 359, label = "C5H7-5 + C9H10-10 <=> C14H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (425, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(425,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -6700,18 +5123,11 @@ index = 360, label = "C2H3 + C9H10-10 <=> C11H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.21336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11200,'cm^3/(mol*s)'), n=2.41, Ea=(1.21336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CdsJ-H """, ) @@ -6720,18 +5136,11 @@ index = 361, label = "C3H5 + C9H10-10 <=> C12H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.29288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5920,'cm^3/(mol*s)'), n=2.41, Ea=(0.29288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CdsJ-Cs """, ) @@ -6740,18 +5149,11 @@ index = 362, label = "C9H10-10 + C6H5 <=> C15H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17600,'cm^3/(mol*s)'), n=2.41, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;CbJ """, ) @@ -6760,18 +5162,11 @@ index = 363, label = "C4H4 + CH3 <=> C5H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30600,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-HHH """, ) @@ -6780,18 +5175,11 @@ index = 364, label = "C4H4 + C2H5 <=> C6H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3100,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CsHH """, ) @@ -6800,18 +5188,11 @@ index = 365, label = "C4H4 + C3H7-2 <=> C7H11-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.5104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2490,'cm^3/(mol*s)'), n=2.41, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CsCsH """, ) @@ -6820,18 +5201,11 @@ index = 366, label = "C4H4 + C4H9 <=> C8H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.38904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1840,'cm^3/(mol*s)'), n=2.41, Ea=(-3.38904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CsCsCs """, ) @@ -6840,18 +5214,11 @@ index = 367, label = "C4H4 + allyl <=> C7H9-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (64600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64600,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdHH """, ) @@ -6860,18 +5227,11 @@ index = 368, label = "C4H4 + C4H7-2 <=> C8H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.2293, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5620,'cm^3/(mol*s)'), n=2.41, Ea=(35.2293,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCsH """, ) @@ -6880,18 +5240,11 @@ index = 369, label = "C4H4 + C5H9 <=> C9H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (727, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(727,'cm^3/(mol*s)'), n=2.41, Ea=(31.129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCsCs """, ) @@ -6900,18 +5253,11 @@ index = 370, label = "C4H4 + C5H7-3 <=> C9H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.2288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCdH """, ) @@ -6920,18 +5266,11 @@ index = 371, label = "C4H4 + C6H9-12 <=> C10H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.4757, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3870,'cm^3/(mol*s)'), n=2.41, Ea=(54.4757,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CdCdCs """, ) @@ -6940,18 +5279,11 @@ index = 372, label = "C4H4 + C7H7-3 <=> C11H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.4847, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(26.4847,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CbHH """, ) @@ -6960,18 +5292,11 @@ index = 373, label = "C4H4 + C8H9 <=> C12H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3680,'cm^3/(mol*s)'), n=2.41, Ea=(23.5978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CbCsH """, ) @@ -6980,18 +5305,11 @@ index = 374, label = "C4H4 + C9H11-15 <=> C13H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (589, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.3384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(589,'cm^3/(mol*s)'), n=2.41, Ea=(21.3384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CbCsCs """, ) @@ -7000,18 +5318,11 @@ index = 375, label = "C4H4 + C3H3 <=> C7H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.4806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13800,'cm^3/(mol*s)'), n=2.41, Ea=(25.4806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CtHH """, ) @@ -7020,18 +5331,11 @@ index = 376, label = "C4H4 + C4H5-12 <=> C8H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3120,'cm^3/(mol*s)'), n=2.41, Ea=(23.5141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CtCsH """, ) @@ -7040,18 +5344,11 @@ index = 377, label = "C5H7-5 + C4H4 <=> C9H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (795, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(795,'cm^3/(mol*s)'), n=2.41, Ea=(20.669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CsJ-CtCsCs """, ) @@ -7060,18 +5357,11 @@ index = 378, label = "C4H4 + C2H3 <=> C6H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.10864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20900,'cm^3/(mol*s)'), n=2.41, Ea=(-6.10864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CdsJ-H """, ) @@ -7080,18 +5370,11 @@ index = 379, label = "C4H4 + C3H5 <=> C7H9-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.98728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.98728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CdsJ-Cs """, ) @@ -7100,18 +5383,11 @@ index = 380, label = "C4H4 + C6H5 <=> C10H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (33000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33000,'cm^3/(mol*s)'), n=2.41, Ea=(-16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;CbJ """, ) @@ -7120,18 +5396,11 @@ index = 381, label = "C5H6-3 + CH3 <=> C6H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (31300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.53952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31300,'cm^3/(mol*s)'), n=2.41, Ea=(9.53952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-HHH """, ) @@ -7140,18 +5409,11 @@ index = 382, label = "C5H6-3 + C2H5 <=> C7H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.15464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(7.15464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CsHH """, ) @@ -7160,18 +5422,11 @@ index = 383, label = "C5H6-3 + C3H7-2 <=> C8H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CsCsH """, ) @@ -7180,18 +5435,11 @@ index = 384, label = "C5H6-3 + C4H9 <=> C9H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.7656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1890,'cm^3/(mol*s)'), n=2.41, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -7200,18 +5448,11 @@ index = 385, label = "C5H6-3 + allyl <=> C8H11-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (66000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(66000,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdHH """, ) @@ -7220,18 +5461,11 @@ index = 386, label = "C5H6-3 + C4H7-2 <=> C9H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5750,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCsH """, ) @@ -7240,18 +5474,11 @@ index = 387, label = "C5H6-3 + C5H9 <=> C10H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (744, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(744,'cm^3/(mol*s)'), n=2.41, Ea=(30.7942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -7260,18 +5487,11 @@ index = 388, label = "C5H6-3 + C5H7-3 <=> C10H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11600,'cm^3/(mol*s)'), n=2.41, Ea=(54.8941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCdH """, ) @@ -7280,18 +5500,11 @@ index = 389, label = "C5H6-3 + C6H9-12 <=> C11H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3960,'cm^3/(mol*s)'), n=2.41, Ea=(54.141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -7300,18 +5513,11 @@ index = 390, label = "C5H6-3 + C7H7-3 <=> C12H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.15, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15300,'cm^3/(mol*s)'), n=2.41, Ea=(26.15,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CbHH """, ) @@ -7320,18 +5526,11 @@ index = 391, label = "C5H6-3 + C8H9 <=> C13H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.2212, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(23.2212,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CbCsH """, ) @@ -7340,18 +5539,11 @@ index = 392, label = "C5H6-3 + C9H11-15 <=> C14H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (603, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(603,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -7360,18 +5552,11 @@ index = 393, label = "C5H6-3 + C3H3 <=> C8H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CtHH """, ) @@ -7380,18 +5565,11 @@ index = 394, label = "C5H6-3 + C4H5-12 <=> C9H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.1794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3190,'cm^3/(mol*s)'), n=2.41, Ea=(23.1794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CtCsH """, ) @@ -7400,18 +5578,11 @@ index = 395, label = "C5H6-3 + C5H7-5 <=> C10H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (814, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(814,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -7420,18 +5591,11 @@ index = 396, label = "C5H6-3 + C2H3 <=> C7H9-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(-6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CdsJ-H """, ) @@ -7440,18 +5604,11 @@ index = 397, label = "C5H6-3 + C3H5 <=> C8H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.36384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11400,'cm^3/(mol*s)'), n=2.41, Ea=(-7.36384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CdsJ-Cs """, ) @@ -7460,18 +5617,11 @@ index = 398, label = "C5H6-3 + C6H5 <=> C11H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (33800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33800,'cm^3/(mol*s)'), n=2.41, Ea=(-16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;CbJ """, ) @@ -7480,18 +5630,11 @@ index = 399, label = "CH3 + C3H4-3 <=> C4H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (45200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(45200,'cm^3/(mol*s)'), n=2.41, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-HHH """, ) @@ -7500,18 +5643,11 @@ index = 400, label = "C3H4-3 + C2H5 <=> C5H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5559, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4580,'cm^3/(mol*s)'), n=2.41, Ea=(23.5559,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CsHH """, ) @@ -7520,18 +5656,11 @@ index = 401, label = "C3H4-3 + C3H7-2 <=> C6H11-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.5351, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3680,'cm^3/(mol*s)'), n=2.41, Ea=(18.5351,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CsCsH """, ) @@ -7540,18 +5669,11 @@ index = 402, label = "C3H4-3 + C4H9 <=> C7H13-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2720,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CsCsCs """, ) @@ -7560,18 +5682,11 @@ index = 403, label = "C3H4-3 + allyl <=> C6H9-5", degeneracy = 4.0, - kinetics = Arrhenius( - A = (95200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.2163, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(95200,'cm^3/(mol*s)'), n=2.41, Ea=(52.2163,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdHH """, ) @@ -7580,18 +5695,11 @@ index = 404, label = "C3H4-3 + C4H7-2 <=> C7H11-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8300,'cm^3/(mol*s)'), n=2.41, Ea=(51.254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCsH """, ) @@ -7600,18 +5708,11 @@ index = 405, label = "C3H4-3 + C5H9 <=> C8H13-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1074, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1537, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1074,'cm^3/(mol*s)'), n=2.41, Ea=(47.1537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCsCs """, ) @@ -7620,18 +5721,11 @@ index = 406, label = "C3H4-3 + C5H7-3 <=> C8H11-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2535, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16740,'cm^3/(mol*s)'), n=2.41, Ea=(71.2535,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCdH """, ) @@ -7640,18 +5734,11 @@ index = 407, label = "C3H4-3 + C6H9-12 <=> C9H13-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.5004, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5720,'cm^3/(mol*s)'), n=2.41, Ea=(70.5004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CdCdCs """, ) @@ -7660,18 +5747,11 @@ index = 408, label = "C3H4-3 + C7H7-3 <=> C10H11-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (22200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22200,'cm^3/(mol*s)'), n=2.41, Ea=(42.5094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CbHH """, ) @@ -7680,18 +5760,11 @@ index = 409, label = "C3H4-3 + C8H9 <=> C11H13-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5440,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CbCsH """, ) @@ -7700,18 +5773,11 @@ index = 410, label = "C3H4-3 + C9H11-15 <=> C12H15-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.3631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(870,'cm^3/(mol*s)'), n=2.41, Ea=(37.3631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CbCsCs """, ) @@ -7720,18 +5786,11 @@ index = 411, label = "C3H3 + C3H4-3 <=> C6H7-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(41.4634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CtHH """, ) @@ -7740,18 +5799,11 @@ index = 412, label = "C4H5-12 + C3H4-3 <=> C7H9-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5388, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4600,'cm^3/(mol*s)'), n=2.41, Ea=(39.5388,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CtCsH """, ) @@ -7760,18 +5812,11 @@ index = 413, label = "C5H7-5 + C3H4-3 <=> C8H11-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1176, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6937, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1176,'cm^3/(mol*s)'), n=2.41, Ea=(36.6937,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ-CtCsCs """, ) @@ -7780,18 +5825,11 @@ index = 414, label = "C2H3 + C3H4-3 <=> C5H7-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30800,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CdsJ-H """, ) @@ -7800,18 +5838,11 @@ index = 415, label = "C3H4-3 + C3H5 <=> C6H9-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.9956, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16380,'cm^3/(mol*s)'), n=2.41, Ea=(8.9956,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CdsJ-Cs """, ) @@ -7820,18 +5851,11 @@ index = 416, label = "C3H4-3 + C6H5 <=> C9H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (48800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.08368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48800,'cm^3/(mol*s)'), n=2.41, Ea=(-0.08368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CbJ """, ) @@ -7840,18 +5864,11 @@ index = 417, label = "CH3 + propene_2 <=> C4H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-HHH """, ) @@ -7860,18 +5877,11 @@ index = 418, label = "propene_2 + C2H5 <=> C5H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(27.3634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CsHH """, ) @@ -7880,18 +5890,11 @@ index = 419, label = "propene_2 + C3H7-2 <=> C6H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (818, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.3844, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(818,'cm^3/(mol*s)'), n=2.41, Ea=(22.3844,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CsCsH """, ) @@ -7900,18 +5903,11 @@ index = 420, label = "propene_2 + C4H9 <=> C7H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (606, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(606,'cm^3/(mol*s)'), n=2.41, Ea=(16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CsCsCs """, ) @@ -7920,18 +5916,11 @@ index = 421, label = "allyl + propene_2 <=> methylpentenyl", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.0656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21200,'cm^3/(mol*s)'), n=2.41, Ea=(56.0656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdHH """, ) @@ -7940,18 +5929,11 @@ index = 422, label = "C4H7-2 + propene_2 <=> C7H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.0614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(55.0614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCsH """, ) @@ -7960,18 +5942,11 @@ index = 423, label = "C5H9 + propene_2 <=> C8H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (239, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(239,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCsCs """, ) @@ -7980,18 +5955,11 @@ index = 424, label = "C5H7-3 + propene_2 <=> C8H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3720,'cm^3/(mol*s)'), n=2.41, Ea=(75.061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCdH """, ) @@ -8000,18 +5968,11 @@ index = 425, label = "C6H9-12 + propene_2 <=> C9H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.3078, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1270,'cm^3/(mol*s)'), n=2.41, Ea=(74.3078,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CdCdCs """, ) @@ -8020,18 +5981,11 @@ index = 426, label = "propene_2 + C7H7-3 <=> C10H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4910,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CbHH """, ) @@ -8040,18 +5994,11 @@ index = 427, label = "propene_2 + C8H9 <=> C11H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4299, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1210,'cm^3/(mol*s)'), n=2.41, Ea=(43.4299,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CbCsH """, ) @@ -8060,18 +6007,11 @@ index = 428, label = "propene_2 + C9H11-15 <=> C12H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (193, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.1706, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(193,'cm^3/(mol*s)'), n=2.41, Ea=(41.1706,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CbCsCs """, ) @@ -8080,18 +6020,11 @@ index = 429, label = "C3H3 + propene_2 <=> C6H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4540,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CtHH """, ) @@ -8100,18 +6033,11 @@ index = 430, label = "C4H5-12 + propene_2 <=> C7H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(43.3462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CtCsH """, ) @@ -8120,18 +6046,11 @@ index = 431, label = "C5H7-5 + propene_2 <=> C8H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (261, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(261,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CsJ-CtCsCs """, ) @@ -8140,18 +6059,11 @@ index = 432, label = "C2H3 + propene_2 <=> C5H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.7235, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6870,'cm^3/(mol*s)'), n=2.41, Ea=(13.7235,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CdsJ-H """, ) @@ -8160,18 +6072,11 @@ index = 433, label = "C3H5 + propene_2 <=> C6H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.8449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3640,'cm^3/(mol*s)'), n=2.41, Ea=(12.8449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CdsJ-Cs """, ) @@ -8180,18 +6085,11 @@ index = 434, label = "propene_2 + C6H5 <=> C9H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;CbJ """, ) @@ -8200,18 +6098,11 @@ index = 435, label = "CH3 + butene2 <=> C5H11-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.4512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(28.4512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-HHH """, ) @@ -8220,18 +6111,11 @@ index = 436, label = "C2H5 + butene2 <=> C6H13-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.0663, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2040,'cm^3/(mol*s)'), n=2.41, Ea=(26.0663,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CsHH """, ) @@ -8240,18 +6124,11 @@ index = 437, label = "butene2 + C3H7-2 <=> C7H15-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1642, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0455, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1642,'cm^3/(mol*s)'), n=2.41, Ea=(21.0455,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CsCsH """, ) @@ -8260,18 +6137,11 @@ index = 438, label = "butene2 + C4H9 <=> C8H17-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1216, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.1461, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1216,'cm^3/(mol*s)'), n=2.41, Ea=(15.1461,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CsCsCs """, ) @@ -8280,18 +6150,11 @@ index = 439, label = "allyl + butene2 <=> C7H13_2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (42400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.7686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42400,'cm^3/(mol*s)'), n=2.41, Ea=(54.7686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdHH """, ) @@ -8300,18 +6163,11 @@ index = 440, label = "C4H7-2 + butene2 <=> C8H15-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.7644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3700,'cm^3/(mol*s)'), n=2.41, Ea=(53.7644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCsH """, ) @@ -8320,18 +6176,11 @@ index = 441, label = "C5H9 + butene2 <=> C9H17-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(480,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCsCs """, ) @@ -8340,18 +6189,11 @@ index = 442, label = "C5H7-3 + butene2 <=> C9H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.7639, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7480,'cm^3/(mol*s)'), n=2.41, Ea=(73.7639,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCdH """, ) @@ -8360,18 +6202,11 @@ index = 443, label = "C6H9-12 + butene2 <=> C10H17-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.0108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2560,'cm^3/(mol*s)'), n=2.41, Ea=(73.0108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CdCdCs """, ) @@ -8380,18 +6215,11 @@ index = 444, label = "C7H7-3 + butene2 <=> C11H15-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.0198, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9860,'cm^3/(mol*s)'), n=2.41, Ea=(45.0198,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CbHH """, ) @@ -8400,18 +6228,11 @@ index = 445, label = "C8H9 + butene2 <=> C12H17-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.091, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2420,'cm^3/(mol*s)'), n=2.41, Ea=(42.091,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CbCsH """, ) @@ -8420,18 +6241,11 @@ index = 446, label = "C9H11-15 + butene2 <=> C13H19-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (388, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8735, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(388,'cm^3/(mol*s)'), n=2.41, Ea=(39.8735,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CbCsCs """, ) @@ -8440,18 +6254,11 @@ index = 447, label = "C3H3 + butene2 <=> C7H11-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.9738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9120,'cm^3/(mol*s)'), n=2.41, Ea=(43.9738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CtHH """, ) @@ -8460,18 +6267,11 @@ index = 448, label = "C4H5-12 + butene2 <=> C8H13-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2060,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CtCsH """, ) @@ -8480,18 +6280,11 @@ index = 449, label = "C5H7-5 + butene2 <=> C9H15-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (524, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.2041, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(524,'cm^3/(mol*s)'), n=2.41, Ea=(39.2041,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CsJ-CtCsCs """, ) @@ -8500,18 +6293,11 @@ index = 450, label = "C2H3 + butene2 <=> C6H11-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13800,'cm^3/(mol*s)'), n=2.41, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CdsJ-H """, ) @@ -8520,18 +6306,11 @@ index = 451, label = "C3H5 + butene2 <=> C7H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7320,'cm^3/(mol*s)'), n=2.41, Ea=(11.506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CdsJ-Cs """, ) @@ -8540,18 +6319,11 @@ index = 452, label = "C6H5 + butene2 <=> C10H13-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.42672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21800,'cm^3/(mol*s)'), n=2.41, Ea=(2.42672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;CbJ """, ) @@ -8560,18 +6332,11 @@ index = 453, label = "CH3 + C5H10 <=> C6H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8194, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12700,'cm^3/(mol*s)'), n=2.41, Ea=(26.8194,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-HHH """, ) @@ -8580,18 +6345,11 @@ index = 454, label = "C2H5 + C5H10 <=> C7H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.4346, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(24.4346,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CsHH """, ) @@ -8600,18 +6358,11 @@ index = 455, label = "C5H10 + C3H7-2 <=> C8H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1030,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CsCsH """, ) @@ -8620,18 +6371,11 @@ index = 456, label = "C5H10 + C4H9 <=> C9H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (765, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(765,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -8640,18 +6384,11 @@ index = 457, label = "allyl + C5H10 <=> C8H15-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.1368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26800,'cm^3/(mol*s)'), n=2.41, Ea=(53.1368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdHH """, ) @@ -8660,18 +6397,11 @@ index = 458, label = "C4H7-2 + C5H10 <=> C9H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(52.1326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCsH """, ) @@ -8680,18 +6410,11 @@ index = 459, label = "C5H9 + C5H10 <=> C10H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (301, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0742, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(301,'cm^3/(mol*s)'), n=2.41, Ea=(48.0742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -8700,18 +6423,11 @@ index = 460, label = "C5H7-3 + C5H10 <=> C10H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4700,'cm^3/(mol*s)'), n=2.41, Ea=(72.174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCdH """, ) @@ -8720,18 +6436,11 @@ index = 461, label = "C6H9-12 + C5H10 <=> C11H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1600,'cm^3/(mol*s)'), n=2.41, Ea=(71.379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -8740,18 +6449,11 @@ index = 462, label = "C7H7-3 + C5H10 <=> C12H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4299, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6210,'cm^3/(mol*s)'), n=2.41, Ea=(43.4299,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CbHH """, ) @@ -8760,18 +6462,11 @@ index = 463, label = "C8H9 + C5H10 <=> C13H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CbCsH """, ) @@ -8780,18 +6475,11 @@ index = 464, label = "C9H11-15 + C5H10 <=> C14H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (244, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.2418, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(244,'cm^3/(mol*s)'), n=2.41, Ea=(38.2418,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -8800,18 +6488,11 @@ index = 465, label = "C3H3 + C5H10 <=> C8H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.3839, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5740,'cm^3/(mol*s)'), n=2.41, Ea=(42.3839,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CtHH """, ) @@ -8820,18 +6501,11 @@ index = 466, label = "C4H5-12 + C5H10 <=> C9H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4593, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(40.4593,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CtCsH """, ) @@ -8840,18 +6514,11 @@ index = 467, label = "C5H7-5 + C5H10 <=> C10H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -8860,18 +6527,11 @@ index = 468, label = "C2H3 + C5H10 <=> C7H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8680,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CdsJ-H """, ) @@ -8880,18 +6540,11 @@ index = 469, label = "C3H5 + C5H10 <=> C8H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4600,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CdsJ-Cs """, ) @@ -8900,18 +6553,11 @@ index = 470, label = "C6H5 + C5H10 <=> C11H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.8368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13700,'cm^3/(mol*s)'), n=2.41, Ea=(0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;CbJ """, ) @@ -8920,18 +6566,11 @@ index = 471, label = "CH3 + C5H8-2 <=> C6H11-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-HHH """, ) @@ -8940,18 +6579,11 @@ index = 472, label = "C5H8-2 + C2H5 <=> C7H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.3511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(14.3511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CsHH """, ) @@ -8960,18 +6592,11 @@ index = 473, label = "C5H8-2 + C3H7-2 <=> C8H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (922, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.37216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(922,'cm^3/(mol*s)'), n=2.41, Ea=(9.37216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CsCsH """, ) @@ -8980,18 +6605,11 @@ index = 474, label = "C5H8-2 + C4H9 <=> C9H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (683, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.43088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(683,'cm^3/(mol*s)'), n=2.41, Ea=(3.43088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CsCsCs """, ) @@ -9000,18 +6618,11 @@ index = 475, label = "allyl + C5H8-2 <=> C8H13-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0534, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23800,'cm^3/(mol*s)'), n=2.41, Ea=(43.0534,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdHH """, ) @@ -9020,18 +6631,11 @@ index = 476, label = "C4H7-2 + C5H8-2 <=> C9H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCsH """, ) @@ -9040,18 +6644,11 @@ index = 477, label = "C5H9 + C5H8-2 <=> C10H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (269, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9907, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(269,'cm^3/(mol*s)'), n=2.41, Ea=(37.9907,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCsCs """, ) @@ -9060,18 +6657,11 @@ index = 478, label = "C5H8-2 + C5H7-3 <=> C10H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.0906, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4190,'cm^3/(mol*s)'), n=2.41, Ea=(62.0906,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCdH """, ) @@ -9080,18 +6670,11 @@ index = 479, label = "C6H9-12 + C5H8-2 <=> C11H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.3374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(61.3374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CdCdCs """, ) @@ -9100,18 +6683,11 @@ index = 480, label = "C5H8-2 + C7H7-3 <=> C12H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3465, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5540,'cm^3/(mol*s)'), n=2.41, Ea=(33.3465,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CbHH """, ) @@ -9120,18 +6696,11 @@ index = 481, label = "C5H8-2 + C8H9 <=> C13H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CbCsH """, ) @@ -9140,18 +6709,11 @@ index = 482, label = "C5H8-2 + C9H11-15 <=> C14H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (218, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.1583, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(218,'cm^3/(mol*s)'), n=2.41, Ea=(28.1583,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CbCsCs """, ) @@ -9160,18 +6722,11 @@ index = 483, label = "C3H3 + C5H8-2 <=> C8H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3005, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5120,'cm^3/(mol*s)'), n=2.41, Ea=(32.3005,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CtHH """, ) @@ -9180,18 +6735,11 @@ index = 484, label = "C4H5-12 + C5H8-2 <=> C9H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.3758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(30.3758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CtCsH """, ) @@ -9200,18 +6748,11 @@ index = 485, label = "C5H7-5 + C5H8-2 <=> C10H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (295, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.5307, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(295,'cm^3/(mol*s)'), n=2.41, Ea=(27.5307,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CsJ-CtCsCs """, ) @@ -9220,18 +6761,11 @@ index = 486, label = "C2H3 + C5H8-2 <=> C7H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.71128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7740,'cm^3/(mol*s)'), n=2.41, Ea=(0.71128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CdsJ-H """, ) @@ -9240,18 +6774,11 @@ index = 487, label = "C3H5 + C5H8-2 <=> C8H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.16736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4110,'cm^3/(mol*s)'), n=2.41, Ea=(-0.16736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CdsJ-Cs """, ) @@ -9260,18 +6787,11 @@ index = 488, label = "C5H8-2 + C6H5 <=> C11H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.24664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12200,'cm^3/(mol*s)'), n=2.41, Ea=(-9.24664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;CbJ """, ) @@ -9280,18 +6800,11 @@ index = 489, label = "CH3 + C6H10 <=> C7H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.9787, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12800,'cm^3/(mol*s)'), n=2.41, Ea=(14.9787,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-HHH """, ) @@ -9300,18 +6813,11 @@ index = 490, label = "C6H10 + C2H5 <=> C8H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.5938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1300,'cm^3/(mol*s)'), n=2.41, Ea=(12.5938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CsHH """, ) @@ -9320,18 +6826,11 @@ index = 491, label = "C6H10 + C3H7-2 <=> C9H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.61488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1050,'cm^3/(mol*s)'), n=2.41, Ea=(7.61488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CsCsH """, ) @@ -9340,18 +6839,11 @@ index = 492, label = "C6H10 + C4H9 <=> C10H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (775, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.71544, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(775,'cm^3/(mol*s)'), n=2.41, Ea=(1.71544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -9360,18 +6852,11 @@ index = 493, label = "allyl + C6H10 <=> C9H15-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (27200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2961, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27200,'cm^3/(mol*s)'), n=2.41, Ea=(41.2961,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdHH """, ) @@ -9380,18 +6865,11 @@ index = 494, label = "C6H10 + C4H7-2 <=> C10H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2919, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(40.2919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCsH """, ) @@ -9400,18 +6878,11 @@ index = 495, label = "C6H10 + C5H9 <=> C11H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (305, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(305,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -9420,18 +6891,11 @@ index = 496, label = "C5H7-3 + C6H10 <=> C11H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3333, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4760,'cm^3/(mol*s)'), n=2.41, Ea=(60.3333,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCdH """, ) @@ -9440,18 +6904,11 @@ index = 497, label = "C6H9-12 + C6H10 <=> C12H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.5802, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(59.5802,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -9460,18 +6917,11 @@ index = 498, label = "C6H10 + C7H7-3 <=> C13H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5892, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6290,'cm^3/(mol*s)'), n=2.41, Ea=(31.5892,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;CsJ-CbHH """, ) @@ -9480,18 +6930,11 @@ index = 499, label = "C6H10 + C8H9 <=> C14H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1550,'cm^3/(mol*s)'), n=2.41, Ea=(28.6604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9504,18 +6947,11 @@ index = 500, label = "C6H10 + C9H11-15 <=> C15H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (247, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.401, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(247,'cm^3/(mol*s)'), n=2.41, Ea=(26.401,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9528,18 +6964,11 @@ index = 501, label = "C3H3 + C6H10 <=> C9H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5810,'cm^3/(mol*s)'), n=2.41, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9552,18 +6981,11 @@ index = 502, label = "C4H5-12 + C6H10 <=> C10H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(28.6186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9576,18 +6998,11 @@ index = 503, label = "C5H7-5 + C6H10 <=> C11H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (334, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.7734, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(334,'cm^3/(mol*s)'), n=2.41, Ea=(25.7734,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9600,18 +7015,11 @@ index = 504, label = "C2H3 + C6H10 <=> C8H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.00416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8790,'cm^3/(mol*s)'), n=2.41, Ea=(-1.00416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 3. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9624,18 +7032,11 @@ index = 505, label = "C3H5 + C6H10 <=> C9H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4660,'cm^3/(mol*s)'), n=2.41, Ea=(-1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 20. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9648,18 +7049,11 @@ index = 506, label = "C6H10 + C6H5 <=> C12H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.0039, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13900,'cm^3/(mol*s)'), n=2.41, Ea=(-11.0039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 20. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9672,18 +7066,11 @@ index = 507, label = "CH3 + C7H10-3 <=> C8H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.2131, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39100,'cm^3/(mol*s)'), n=2.41, Ea=(11.2131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran, H.J.; Gaffuri, P.; Pit z, W.J.; Westbrook, C.K. Combust. Flame 2002, 129, 253. in his reaction type 20. Based on the recommendations of [146] Allara, D.L.; Shaw, R. J Phys. Chem. Ref. Data 1980,9,523. @@ -9696,18 +7083,11 @@ index = 508, label = "C7H10-3 + C2H5 <=> C9H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.82824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3980,'cm^3/(mol*s)'), n=2.41, Ea=(8.82824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [94] Baulch,D.L.; Cobos,C.J.;Cox,R.A;Frank,P.;Hayman,G.;Just,T.;Kerr,J.A.;Murells,T.;Philling,M.J.;Troe,J.;Walker,R.W.; Warnatz, J. J Phys Chem. Ref. Data 1994,23,847. literature review. C2H4 + H --> C2H5. C.D.W. divided rate expression by 2, to get rate of addition per site pg.916-920: Discussion on evaluated data @@ -9727,18 +7107,11 @@ index = 509, label = "C7H10-3 + C3H7-2 <=> C10H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.84928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3190,'cm^3/(mol*s)'), n=2.41, Ea=(3.84928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [89] Tsang, W.; Hampson, R.F. J. Phys. Chem. Ref. Data 1986, 15, 1087. literature review. C2H4 + CH3 --> n-C3H7. C.D.W. divided rate expression by 2, to get rate of addition per site pg. 1191: Discussion on evaluated data @@ -9757,18 +7130,11 @@ index = 510, label = "C7H10-3 + C4H9 <=> C11H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [147] Knyazev,V.D.;Slagle,I.R. J Phys. Chem. 1996 100, 5318. Pressure up to 10 atm. Excitation; thermal, analysis: mass spectrometry. C2H4 + C2H5--> n-C4H9. C.D.W. divided rate expression by 2, to get rate of addtion per site @@ -9780,18 +7146,11 @@ index = 511, label = "C7H10-3 + allyl <=> C10H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (82600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5305, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(82600,'cm^3/(mol*s)'), n=2.41, Ea=(37.5305,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [90] Tsang,W.J. Phys. Chem. Ref. Data 1987,16,471. literature review. C2H4+ CH2OH --> CH2CH2CH2OH C.D.W. divided rate expression by 2, to get rate of addition per site pg. 502: Discussion on evaluated data @@ -9810,18 +7169,11 @@ index = 512, label = "C7H10-3 + C4H7-2 <=> C11H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5263, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7200,'cm^3/(mol*s)'), n=2.41, Ea=(36.5263,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [148] Weissman and Benson. Estimated values. Activation energy is a lower limit. Pressure 1.00 atm. C2H4 + C2H3 --> CH2=CHCH2CH2 C.D.W. divided rate expression by 2, to get rate of addition per site @@ -9833,18 +7185,11 @@ index = 513, label = "C7H10-3 + C5H9 <=> C12H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (931, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.4678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(931,'cm^3/(mol*s)'), n=2.41, Ea=(32.4678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [89] Tsang et al. Literature Review. C2H4 + OH --> CH2CH2OH C.D.W. divided rate expression by 2, to get rate of addition per site @@ -9870,18 +7215,11 @@ index = 514, label = "C5H7-3 + C7H10-3 <=> C12H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.5677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14500,'cm^3/(mol*s)'), n=2.41, Ea=(56.5677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [149] Tsang experiments and limited review. CH3CH=CH2 + H --> iso-C3H7 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CdCdH @@ -9892,18 +7230,11 @@ index = 515, label = "C6H9-12 + C7H10-3 <=> C13H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4950,'cm^3/(mol*s)'), n=2.41, Ea=(55.8146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [150] Knayzev et al. Data derived from fitting to a complex mechanism. Pressure up to 10 atm. Excitation : flash photolysis, analysis : mass spectrometry CH3CH=CH2 + CH3 --> sec-C4H9 @@ -9915,18 +7246,11 @@ index = 516, label = "C7H10-3 + C7H7-3 <=> C14H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.8236, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19200,'cm^3/(mol*s)'), n=2.41, Ea=(27.8236,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] Tsang literature review. CH3CH=CH2 + CH3 --> sec-C4H9 pg.237-239: Discussion on evaluated data @@ -9944,18 +7268,11 @@ index = 517, label = "C7H10-3 + C8H9 <=> C15H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.8948, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4710,'cm^3/(mol*s)'), n=2.41, Ea=(24.8948,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [151] Barbe et al. Data is estimated. Pressure 0.04-0.26 atm. CH3CH=CH2 + .CH2CH=CH2 --> CH3CH(.)CH2CH2CH=CH2 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CbCsH @@ -9966,18 +7283,11 @@ index = 518, label = "C7H10-3 + C9H11-15 <=> C16H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (754, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6354, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(754,'cm^3/(mol*s)'), n=2.41, Ea=(22.6354,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] Tsang literature review. CH3CH=CH2 + tert-C4H9 --> (CH3)3CCH2CH(.)CH3 pg.247: Discussion on evaluated data @@ -9994,18 +7304,11 @@ index = 519, label = "C3H3 + C7H10-3 <=> C10H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [152] Perrin et al. Data is estimated. Pressure 0.01-0.13 atm. CH2=CHCH=CH2 + .CH3 --> CH2CH=CHCH2CH3 C.D.W. divied rate expression by 2, to get rate of addition per site. @@ -10017,18 +7320,11 @@ index = 520, label = "C4H5-12 + C7H10-3 <=> C11H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3990,'cm^3/(mol*s)'), n=2.41, Ea=(24.853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [153] Knayzev et al. Pressure ~ 0.01 atm. Excitation : thermal, analysis : GC Iso-C4H8 + CH3 --> (CH3)2CCH2CH3 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CtCsH @@ -10039,18 +7335,11 @@ index = 521, label = "C5H7-5 + C7H10-3 <=> C12H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0078, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(22.0078,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [303] Seres et al. Data derived from fitting to a complex mechanism. Excitation : thermal, analysis : GC Iso-C4H8 + CH3 --> (CH3)2CCH2CH3 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CsJ-CtCsCs @@ -10061,18 +7350,11 @@ index = 522, label = "C2H3 + C7H10-3 <=> C9H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26800,'cm^3/(mol*s)'), n=2.41, Ea=(-4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [149] Tsang experiments and limited review. CH3CH=CH2 + H --> n-C3H7 Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;CdsJ-H @@ -10083,18 +7365,11 @@ index = 523, label = "C3H5 + C7H10-3 <=> C10H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.69024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(-5.69024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [147] Knyazev et al. Pressure up to 10 atm. Excitation : thermal, analysis : mass spectrometry. CH3CH=CH2 + CH3 --> iso-C4H9 @@ -10106,18 +7381,11 @@ index = 524, label = "C7H10-3 + C6H5 <=> C13H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (42300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-14.7695, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42300,'cm^3/(mol*s)'), n=2.41, Ea=(-14.7695,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] literature review. CH3CH=CH2 + CH3 --> iso-C4H9 pg.237-239: Discussion on evaluated data @@ -10135,18 +7403,11 @@ index = 525, label = "CH3 + C9H10-7 <=> C10H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.0998, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3690,'cm^3/(mol*s)'), n=2.41, Ea=(24.0998,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [155] Slagle et al. Data deriver from detailed balance/reverse rate. Pressure ~ 0.01 atm. Iso-C4H8 + .CH3 --> (CH3)3CCH2 @@ -10158,18 +7419,11 @@ index = 526, label = "C2H5 + C9H10-7 <=> C11H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (375, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(375,'cm^3/(mol*s)'), n=2.41, Ea=(21.715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CsHH @@ -10180,18 +7434,11 @@ index = 527, label = "C9H10-7 + C3H7-2 <=> C12H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (301, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.6942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(301,'cm^3/(mol*s)'), n=2.41, Ea=(16.6942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CsCsH @@ -10202,18 +7449,11 @@ index = 528, label = "C9H10-7 + C4H9 <=> C13H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (223, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(223,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CsCsCs @@ -10224,18 +7464,11 @@ index = 529, label = "allyl + C9H10-7 <=> C12H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.4172, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7800,'cm^3/(mol*s)'), n=2.41, Ea=(50.4172,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CdHH @@ -10246,18 +7479,11 @@ index = 530, label = "C4H7-2 + C9H10-7 <=> C13H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (679, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(679,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. in his reaction type 3. Based on recommendations of Allara and Shaw. [146] Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CdCsH @@ -10268,18 +7494,11 @@ index = 531, label = "C5H9 + C9H10-7 <=> C14H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (87.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(87.8,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CdCsCs """, ) @@ -10288,18 +7507,11 @@ index = 532, label = "C5H7-3 + C9H10-7 <=> C14H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.4126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1370,'cm^3/(mol*s)'), n=2.41, Ea=(69.4126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [156] Scherzer et al. Data derived from fitting to a complex mechanism. Pressure 0.04 atm. Excitation: thermal, analysis: GC. CH2=C=CH2 + .CH3 --> CH3CH2C=CH2 @@ -10311,18 +7523,11 @@ index = 533, label = "C6H9-12 + C9H10-7 <=> C15H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (467, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.6594, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(467,'cm^3/(mol*s)'), n=2.41, Ea=(68.6594,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [157] Tsang et al. Absolute Value Measured directly. Pressure 2 - 7 atm. Excitation: thermal, analysis : GC. CH2=C=CH2 + H --> .CH2CH=CH2 @@ -10334,18 +7539,11 @@ index = 534, label = "C7H7-3 + C9H10-7 <=> C16H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.6685, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(40.6685,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [158] Tsang. Data is estimated. Pressure 1.50-5.00 atm. CH2=C=CH2 + CH3 --> CH2C(CH3)=CH2 Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CbHH @@ -10356,18 +7554,11 @@ index = 535, label = "C8H9 + C9H10-7 <=> C17H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (445, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7397, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(445,'cm^3/(mol*s)'), n=2.41, Ea=(37.7397,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. In his reaction type 18. Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CbCsH @@ -10378,18 +7569,11 @@ index = 536, label = "C9H11-15 + C9H10-7 <=> C18H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (71.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.5222, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(71.1,'cm^3/(mol*s)'), n=2.41, Ea=(35.5222,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [8] Curran et al. In his reaction type 18. Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CbCsCs @@ -10400,18 +7584,11 @@ index = 537, label = "C3H3 + C9H10-7 <=> C12H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6225, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(39.6225,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [144] Bozzelli et al. Based upon CH3 addition to CO (Anastasi and Maw) Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;CsJ-CtHH @@ -10422,18 +7599,11 @@ index = 538, label = "C4H5-12 + C9H10-7 <=> C13H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (377, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.6978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(377,'cm^3/(mol*s)'), n=2.41, Ea=(37.6978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [159] Curran et al. His estimation in DME oxidation modeling for ketohydroperoxide decomposition. H2CO + HCO2. (formic acid radical) --> + .OCH2OCHO (ester) (Rxn. 338, p. 234) @@ -10447,18 +7617,11 @@ index = 539, label = "C5H7-5 + C9H10-7 <=> C14H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (96.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(96.1,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [160] Knoll et al. Data derived from fitting to a complex mechanism. Pressure 0.08 atm. Excitation : direct photolysis, analysis : mass spectrometry. N-C3H7 + C2HO --> N-C4H9O @@ -10470,18 +7633,11 @@ index = 540, label = "C2H3 + C9H10-7 <=> C11H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.07512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(8.07512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [161] Knoll et al. Absolute value measured directly. Pressure 0.28 - 1.17 atm. Excitation : thermal, analysis : mass spectrometry. (CH3)2CO + .CH3 --> (CH3)3CO @@ -10493,18 +7649,11 @@ index = 541, label = "C3H5 + C9H10-7 <=> C12H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.15464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(7.15464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [134] Warnatz literature review. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + H --> C2H3 @@ -10516,18 +7665,11 @@ index = 542, label = "C6H5 + C9H10-7 <=> C15H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3990,'cm^3/(mol*s)'), n=2.41, Ea=(-1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [162] E.W.Diau and M.C.Lin. RRK(M) extrapolation. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + CH3 --> CH3CH=CH @@ -10539,18 +7681,11 @@ index = 543, label = "CH3 + C10H12 <=> C11H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.4304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7840,'cm^3/(mol*s)'), n=2.41, Ea=(23.4304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [163] Kerr et al. literature review. Pressure 0.03-0.20 atm. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + .C2H5 --> CH3CH2CH=CH @@ -10562,18 +7697,11 @@ index = 544, label = "C2H5 + C10H12 <=> C12H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (796, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0455, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(796,'cm^3/(mol*s)'), n=2.41, Ea=(21.0455,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [93] Tsang et al. literature review. Pressure 0.03-0.20 atm. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + .CH2CH=CH2 --> CHCH2CH=CH @@ -10593,18 +7721,11 @@ index = 545, label = "C10H12 + C3H7-2 <=> C13H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (638, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.0247, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(638,'cm^3/(mol*s)'), n=2.41, Ea=(16.0247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [163] Kerr et al. literature review. Pressure 0.07-0.13 atm. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + Iso-C3H7 --> (CH3)2CHCH=CH @@ -10616,18 +7737,11 @@ index = 546, label = "C10H12 + C4H9 <=> C14H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (473, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.1253, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(473,'cm^3/(mol*s)'), n=2.41, Ea=(10.1253,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [164] Dominguez et al. Data derived from fitting to a complex mechanism. Pressure 0.01-0.32 atm. Excitation : direct photolysis, analysis : GC. C2H2 + Tert-C4H9 --> (CH3)3CCH=CH C.D.W divided rate expression by 2, to get rate of addition per site. @@ -10639,18 +7753,11 @@ index = 547, label = "allyl + C10H12 <=> C13H17-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7478, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16540,'cm^3/(mol*s)'), n=2.41, Ea=(49.7478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [121] Weissman et al. Transition state theory. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + C2H3 --> CH2=CHCH=CH. @@ -10662,18 +7769,11 @@ index = 548, label = "C4H7-2 + C10H12 <=> C14H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7436, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1440,'cm^3/(mol*s)'), n=2.41, Ea=(48.7436,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [165] Duran et al. Ab initio. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + C2H3 --> CH2=CHCH=CH. (Rxn. -5?) @@ -10687,18 +7787,11 @@ index = 549, label = "C5H9 + C10H12 <=> C15H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.6433, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(186,'cm^3/(mol*s)'), n=2.41, Ea=(44.6433,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [165] Duran et al. Ab initio. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + CCH --> HC(tb)CCH=CH. (Rxn. 18?) @@ -10713,18 +7806,11 @@ index = 550, label = "C5H7-3 + C10H12 <=> C15H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.7431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(68.7431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [95] Baulch et al. literature review. C.D.W divided rate expression by 2, to get rate of addition per site. C2H2 + .OH --> HOCH=CH @@ -10747,18 +7833,11 @@ index = 551, label = "C6H9-12 + C10H12 <=> C16H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (991, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.99, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(991,'cm^3/(mol*s)'), n=2.41, Ea=(67.99,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [166] Miller et al. Transition State Theory. C.D.W divided rate expression by 2, to get rate of addition per site. Same reaction as #332, #333 ranked as more accurate in rate library than #332, but they are both from relatively old sources from the early '90s. @@ -10772,18 +7851,11 @@ index = 552, label = "C7H7-3 + C10H12 <=> C17H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3830,'cm^3/(mol*s)'), n=2.41, Ea=(39.999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" [144] Bozzelli et al. Based upon CH3 addition to C2H2 (NIST) Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CbHH @@ -10794,18 +7866,11 @@ index = 553, label = "C10H12 + C8H9 <=> C18H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (943, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(943,'cm^3/(mol*s)'), n=2.41, Ea=(37.0702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CbCsH @@ -10816,18 +7881,11 @@ index = 554, label = "C9H11-15 + C10H12 <=> C19H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (151, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(151,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CbCsCs @@ -10838,18 +7896,11 @@ index = 555, label = "C3H3 + C10H12 <=> C13H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.953, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3540,'cm^3/(mol*s)'), n=2.41, Ea=(38.953,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CtHH @@ -10860,18 +7911,11 @@ index = 556, label = "C4H5-12 + C10H12 <=> C14H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (799, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0284, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(799,'cm^3/(mol*s)'), n=2.41, Ea=(37.0284,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CtCsH @@ -10882,18 +7926,11 @@ index = 557, label = "C5H7-5 + C10H12 <=> C15H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (204, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.1833, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(204,'cm^3/(mol*s)'), n=2.41, Ea=(34.1833,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CsJ-CtCsCs @@ -10904,18 +7941,11 @@ index = 558, label = "C2H3 + C10H12 <=> C12H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.40568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5360,'cm^3/(mol*s)'), n=2.41, Ea=(7.40568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CdsJ-H @@ -10926,18 +7956,11 @@ index = 559, label = "C3H5 + C10H12 <=> C13H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2840,'cm^3/(mol*s)'), n=2.41, Ea=(6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CdsJ-Cs @@ -10948,18 +7971,11 @@ index = 560, label = "C6H5 + C10H12 <=> C16H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.59408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8470,'cm^3/(mol*s)'), n=2.41, Ea=(-2.59408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;CbJ @@ -10970,18 +7986,11 @@ index = 561, label = "C5H6-4 + CH3 <=> C6H9-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14700,'cm^3/(mol*s)'), n=2.41, Ea=(16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-HHH @@ -10992,18 +8001,11 @@ index = 562, label = "C5H6-4 + C2H5 <=> C7H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.7235, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(13.7235,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CsHH @@ -11014,18 +8016,11 @@ index = 563, label = "C5H6-4 + C3H7-2 <=> C8H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.70272, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1200,'cm^3/(mol*s)'), n=2.41, Ea=(8.70272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CsCsH @@ -11036,18 +8031,11 @@ index = 564, label = "C5H6-4 + C4H9 <=> C9H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (885, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.80328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(885,'cm^3/(mol*s)'), n=2.41, Ea=(2.80328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CsCsCs @@ -11058,18 +8046,11 @@ index = 565, label = "C5H6-4 + allyl <=> C8H11-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.4258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31000,'cm^3/(mol*s)'), n=2.41, Ea=(42.4258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdHH @@ -11080,18 +8061,11 @@ index = 566, label = "C5H6-4 + C4H7-2 <=> C9H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCsH @@ -11102,18 +8076,11 @@ index = 567, label = "C5H6-4 + C5H9 <=> C10H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (349, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.3213, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(349,'cm^3/(mol*s)'), n=2.41, Ea=(37.3213,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCsCs @@ -11124,18 +8091,11 @@ index = 568, label = "C5H6-4 + C5H7-3 <=> C10H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.4211, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5440,'cm^3/(mol*s)'), n=2.41, Ea=(61.4211,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCdH @@ -11146,18 +8106,11 @@ index = 569, label = "C5H6-4 + C6H9-12 <=> C11H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.668, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1860,'cm^3/(mol*s)'), n=2.41, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CdCdCs @@ -11168,18 +8121,11 @@ index = 570, label = "C5H6-4 + C7H7-3 <=> C12H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7180,'cm^3/(mol*s)'), n=2.41, Ea=(32.677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CbHH @@ -11190,18 +8136,11 @@ index = 571, label = "C5H6-4 + C8H9 <=> C13H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7901, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(29.7901,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CbCsH @@ -11212,18 +8151,11 @@ index = 572, label = "C5H6-4 + C9H11-15 <=> C14H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (283, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.5307, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(283,'cm^3/(mol*s)'), n=2.41, Ea=(27.5307,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CbCsCs @@ -11234,18 +8166,11 @@ index = 573, label = "C3H3 + C5H6-4 <=> C8H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.6729, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(31.6729,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CtHH @@ -11256,18 +8181,11 @@ index = 574, label = "C5H6-4 + C4H5-12 <=> C9H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7064, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1500,'cm^3/(mol*s)'), n=2.41, Ea=(29.7064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CtCsH @@ -11278,18 +8196,11 @@ index = 575, label = "C5H6-4 + C5H7-5 <=> C10H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8613, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(26.8613,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CsJ-CtCsCs @@ -11300,18 +8211,11 @@ index = 576, label = "C5H6-4 + C2H3 <=> C7H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.08368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(0.08368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CdsJ-H @@ -11322,18 +8226,11 @@ index = 577, label = "C5H6-4 + C3H5 <=> C8H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.79496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5320,'cm^3/(mol*s)'), n=2.41, Ea=(-0.79496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CdsJ-Cs @@ -11344,18 +8241,11 @@ index = 578, label = "C5H6-4 + C6H5 <=> C11H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15900,'cm^3/(mol*s)'), n=2.41, Ea=(-9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;CbJ @@ -11366,18 +8256,11 @@ index = 579, label = "C6H8-8 + CH3 <=> C7H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7318, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(15.7318,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-HHH @@ -11388,18 +8271,11 @@ index = 580, label = "C6H8-8 + C2H5 <=> C8H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.347, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(13.347,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CsHH @@ -11410,18 +8286,11 @@ index = 581, label = "C6H8-8 + C3H7-2 <=> C9H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CsCsH @@ -11432,18 +8301,11 @@ index = 582, label = "C6H8-8 + C4H9 <=> C10H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (906, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.42672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(906,'cm^3/(mol*s)'), n=2.41, Ea=(2.42672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CsCsCs @@ -11454,18 +8316,11 @@ index = 583, label = "C6H8-8 + allyl <=> C9H13-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31800,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdHH @@ -11476,18 +8331,11 @@ index = 584, label = "C6H8-8 + C4H7-2 <=> C10H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2760,'cm^3/(mol*s)'), n=2.41, Ea=(41.045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCsH @@ -11498,18 +8346,11 @@ index = 585, label = "C6H8-8 + C5H9 <=> C11H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (357, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9866, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(357,'cm^3/(mol*s)'), n=2.41, Ea=(36.9866,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCsCs @@ -11520,18 +8361,11 @@ index = 586, label = "C6H8-8 + C5H7-3 <=> C11H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.0864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5570,'cm^3/(mol*s)'), n=2.41, Ea=(61.0864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCdH @@ -11542,18 +8376,11 @@ index = 587, label = "C6H8-8 + C6H9-12 <=> C12H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3333, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(60.3333,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CdCdCs @@ -11564,18 +8391,11 @@ index = 588, label = "C6H8-8 + C7H7-3 <=> C13H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3423, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7350,'cm^3/(mol*s)'), n=2.41, Ea=(32.3423,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CbHH @@ -11586,18 +8406,11 @@ index = 589, label = "C6H8-8 + C8H9 <=> C14H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(29.4135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CbCsH @@ -11608,18 +8421,11 @@ index = 590, label = "C6H8-8 + C9H11-15 <=> C15H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (289, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(289,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CbCsCs @@ -11630,18 +8436,11 @@ index = 591, label = "C6H8-8 + C3H3 <=> C9H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2963, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6790,'cm^3/(mol*s)'), n=2.41, Ea=(31.2963,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CtHH @@ -11652,18 +8451,11 @@ index = 592, label = "C4H5-12 + C6H8-8 <=> C10H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3717, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(29.3717,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CtCsH @@ -11674,18 +8466,11 @@ index = 593, label = "C5H7-5 + C6H8-8 <=> C11H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (391, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.5266, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(391,'cm^3/(mol*s)'), n=2.41, Ea=(26.5266,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CsJ-CtCsCs @@ -11696,18 +8481,11 @@ index = 594, label = "C6H8-8 + C2H3 <=> C8H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.29288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(-0.29288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CdsJ-H @@ -11718,18 +8496,11 @@ index = 595, label = "C6H8-8 + C3H5 <=> C9H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.17152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5450,'cm^3/(mol*s)'), n=2.41, Ea=(-1.17152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CdsJ-Cs @@ -11740,18 +8511,11 @@ index = 596, label = "C6H8-8 + C6H5 <=> C12H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(-10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;CbJ @@ -11762,18 +8526,11 @@ index = 597, label = "CH3 + C4H6-3 <=> C5H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-HHH @@ -11784,18 +8541,11 @@ index = 598, label = "C4H6-3 + C2H5 <=> C6H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CsHH @@ -11806,18 +8556,11 @@ index = 599, label = "C4H6-3 + C3H7-2 <=> C7H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (883, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.7274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(883,'cm^3/(mol*s)'), n=2.41, Ea=(24.7274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CsCsH @@ -11828,18 +8571,11 @@ index = 600, label = "C4H6-3 + C4H9 <=> C8H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (654, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(654,'cm^3/(mol*s)'), n=2.41, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CsCsCs @@ -11850,18 +8586,11 @@ index = 601, label = "C4H6-3 + allyl <=> C7H11-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (22800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.4505, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22800,'cm^3/(mol*s)'), n=2.41, Ea=(58.4505,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdHH @@ -11872,18 +8601,11 @@ index = 602, label = "C4H6-3 + C4H7-2 <=> C8H13-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.4463, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(57.4463,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCsH @@ -11894,18 +8616,11 @@ index = 603, label = "C4H6-3 + C5H9 <=> C9H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (258, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.346, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=2.41, Ea=(53.346,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCsCs @@ -11916,18 +8631,11 @@ index = 604, label = "C4H6-3 + C5H7-3 <=> C9H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.4458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4020,'cm^3/(mol*s)'), n=2.41, Ea=(77.4458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCdH @@ -11938,18 +8646,11 @@ index = 605, label = "C4H6-3 + C6H9-12 <=> C10H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.6927, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1370,'cm^3/(mol*s)'), n=2.41, Ea=(76.6927,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CdCdCs @@ -11960,18 +8661,11 @@ index = 606, label = "C4H6-3 + C7H7-3 <=> C11H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5300,'cm^3/(mol*s)'), n=2.41, Ea=(48.7018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CbHH @@ -11982,18 +8676,11 @@ index = 607, label = "C4H6-3 + C8H9 <=> C12H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1300,'cm^3/(mol*s)'), n=2.41, Ea=(45.773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CbCsH @@ -12004,18 +8691,11 @@ index = 608, label = "C4H6-3 + C9H11-15 <=> C13H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (209, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(209,'cm^3/(mol*s)'), n=2.41, Ea=(43.5554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CbCsCs @@ -12026,18 +8706,11 @@ index = 609, label = "C3H3 + C4H6-3 <=> C7H9-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6558, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4900,'cm^3/(mol*s)'), n=2.41, Ea=(47.6558,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CtHH @@ -12048,18 +8721,11 @@ index = 610, label = "C4H5-12 + C4H6-3 <=> C8H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.7311, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(45.7311,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CtCsH @@ -12070,18 +8736,11 @@ index = 611, label = "C5H7-5 + C4H6-3 <=> C9H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (282, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282,'cm^3/(mol*s)'), n=2.41, Ea=(42.886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ-CtCsCs @@ -12092,18 +8751,11 @@ index = 612, label = "C2H3 + C4H6-3 <=> C6H9-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7420,'cm^3/(mol*s)'), n=2.41, Ea=(16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CdsJ-H @@ -12114,18 +8766,11 @@ index = 613, label = "C4H6-3 + C3H5 <=> C7H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.1879, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3930,'cm^3/(mol*s)'), n=2.41, Ea=(15.1879,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CdsJ-Cs @@ -12136,18 +8781,11 @@ index = 614, label = "C4H6-3 + C6H5 <=> C10H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.10864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11700,'cm^3/(mol*s)'), n=2.41, Ea=(6.10864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsH_Ca;CbJ @@ -12158,18 +8796,11 @@ index = 615, label = "CH3 + C4H8-2 <=> C5H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6394, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6240,'cm^3/(mol*s)'), n=2.41, Ea=(33.6394,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-HHH @@ -12180,18 +8811,11 @@ index = 616, label = "C4H8-2 + C2H5 <=> C6H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (634, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(634,'cm^3/(mol*s)'), n=2.41, Ea=(31.2545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CsHH @@ -12202,18 +8826,11 @@ index = 617, label = "C4H8-2 + C3H7-2 <=> C7H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (508, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2755, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(508,'cm^3/(mol*s)'), n=2.41, Ea=(26.2755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CsCsH @@ -12224,18 +8841,11 @@ index = 618, label = "C4H8-2 + C4H9 <=> C8H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (376, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(376,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CsCsCs @@ -12246,18 +8856,11 @@ index = 619, label = "allyl + C4H8-2 <=> C7H13-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.9567, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13160,'cm^3/(mol*s)'), n=2.41, Ea=(59.9567,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdHH @@ -12268,18 +8871,11 @@ index = 620, label = "C4H7-2 + C4H8-2 <=> C8H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.9526, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(58.9526,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCsH @@ -12290,18 +8886,11 @@ index = 621, label = "C5H9 + C4H8-2 <=> C9H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (148, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(148,'cm^3/(mol*s)'), n=2.41, Ea=(54.8941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCsCs @@ -12312,18 +8901,11 @@ index = 622, label = "C5H7-3 + C4H8-2 <=> C9H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.9521, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2310,'cm^3/(mol*s)'), n=2.41, Ea=(78.9521,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCdH @@ -12334,18 +8916,11 @@ index = 623, label = "C6H9-12 + C4H8-2 <=> C10H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (789, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.199, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(789,'cm^3/(mol*s)'), n=2.41, Ea=(78.199,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CdCdCs @@ -12356,18 +8931,11 @@ index = 624, label = "C7H7-3 + C4H8-2 <=> C11H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3050,'cm^3/(mol*s)'), n=2.41, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CbHH @@ -12378,18 +8946,11 @@ index = 625, label = "C4H8-2 + C8H9 <=> C12H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (751, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.321, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(751,'cm^3/(mol*s)'), n=2.41, Ea=(47.321,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CbCsH @@ -12400,18 +8961,11 @@ index = 626, label = "C4H8-2 + C9H11-15 <=> C13H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.0617, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(120,'cm^3/(mol*s)'), n=2.41, Ea=(45.0617,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CbCsCs @@ -12422,18 +8976,11 @@ index = 627, label = "C3H3 + C4H8-2 <=> C7H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2820,'cm^3/(mol*s)'), n=2.41, Ea=(49.2038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CtHH @@ -12444,18 +8991,11 @@ index = 628, label = "C4H5-12 + C4H8-2 <=> C8H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (636, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(636,'cm^3/(mol*s)'), n=2.41, Ea=(47.2374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CtCsH @@ -12466,18 +9006,11 @@ index = 629, label = "C5H7-5 + C4H8-2 <=> C9H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (162, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(162,'cm^3/(mol*s)'), n=2.41, Ea=(44.3922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CsJ-CtCsCs @@ -12488,18 +9021,11 @@ index = 630, label = "C2H3 + C4H8-2 <=> C6H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4270,'cm^3/(mol*s)'), n=2.41, Ea=(17.6146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CdsJ-H @@ -12510,18 +9036,11 @@ index = 631, label = "C3H5 + C4H8-2 <=> C7H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.41, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CdsJ-Cs @@ -12532,18 +9051,11 @@ index = 632, label = "C4H8-2 + C6H5 <=> C10H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.61488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6740,'cm^3/(mol*s)'), n=2.41, Ea=(7.61488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;CbJ @@ -12554,18 +9066,11 @@ index = 633, label = "CH3 + C5H10-2 <=> C6H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3423, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6260,'cm^3/(mol*s)'), n=2.41, Ea=(32.3423,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Mark Saeys, CBS-QB3 calculations,without hindered rotor treatment. Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-HHH @@ -12576,18 +9081,11 @@ index = 634, label = "C2H5 + C5H10-2 <=> C7H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (636, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.9574, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(636,'cm^3/(mol*s)'), n=2.41, Ea=(29.9574,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Sandeep CBS-QB3 calculations Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CsHH @@ -12598,18 +9096,11 @@ index = 635, label = "C5H10-2 + C3H7-2 <=> C8H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(510,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CsCsH """, ) @@ -12618,18 +9109,11 @@ index = 636, label = "C5H10-2 + C4H9 <=> C9H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (378, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.0372, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(378,'cm^3/(mol*s)'), n=2.41, Ea=(19.0372,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -12638,18 +9122,11 @@ index = 637, label = "allyl + C5H10-2 <=> C8H15-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.6597, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13220,'cm^3/(mol*s)'), n=2.41, Ea=(58.6597,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdHH """, ) @@ -12658,18 +9135,11 @@ index = 638, label = "C4H7-2 + C5H10-2 <=> C9H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.6555, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(57.6555,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCsH """, ) @@ -12678,18 +9148,11 @@ index = 639, label = "C5H9 + C5H10-2 <=> C10H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (149, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.5552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(149,'cm^3/(mol*s)'), n=2.41, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -12698,18 +9161,11 @@ index = 640, label = "C5H7-3 + C5H10-2 <=> C10H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2320,'cm^3/(mol*s)'), n=2.41, Ea=(77.655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCdH """, ) @@ -12718,18 +9174,11 @@ index = 641, label = "C6H9-12 + C5H10-2 <=> C11H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (793, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.9019, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(793,'cm^3/(mol*s)'), n=2.41, Ea=(76.9019,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -12738,18 +9187,11 @@ index = 642, label = "C7H7-3 + C5H10-2 <=> C12H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.911, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3070,'cm^3/(mol*s)'), n=2.41, Ea=(48.911,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CbHH """, ) @@ -12758,18 +9200,11 @@ index = 643, label = "C8H9 + C5H10-2 <=> C13H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (754, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9822, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(754,'cm^3/(mol*s)'), n=2.41, Ea=(45.9822,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CbCsH """, ) @@ -12778,18 +9213,11 @@ index = 644, label = "C9H11-15 + C5H10-2 <=> C14H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (121, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(121,'cm^3/(mol*s)'), n=2.41, Ea=(43.7646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -12798,18 +9226,11 @@ index = 645, label = "C3H3 + C5H10-2 <=> C8H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.865, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2830,'cm^3/(mol*s)'), n=2.41, Ea=(47.865,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CtHH """, ) @@ -12818,18 +9239,11 @@ index = 646, label = "C4H5-12 + C5H10-2 <=> C9H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (639, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(639,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CtCsH """, ) @@ -12838,18 +9252,11 @@ index = 647, label = "C5H7-5 + C5H10-2 <=> C10H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (163, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(163,'cm^3/(mol*s)'), n=2.41, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -12858,18 +9265,11 @@ index = 648, label = "C2H3 + C5H10-2 <=> C7H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.3176, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4290,'cm^3/(mol*s)'), n=2.41, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CdsJ-H """, ) @@ -12878,18 +9278,11 @@ index = 649, label = "C3H5 + C5H10-2 <=> C8H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.3971, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2270,'cm^3/(mol*s)'), n=2.41, Ea=(15.3971,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CdsJ-Cs """, ) @@ -12898,18 +9291,11 @@ index = 650, label = "C6H5 + C5H10-2 <=> C11H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.31784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6770,'cm^3/(mol*s)'), n=2.41, Ea=(6.31784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;CbJ """, ) @@ -12918,18 +9304,11 @@ index = 651, label = "CH3 + C6H12 <=> C7H15-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15760,'cm^3/(mol*s)'), n=2.41, Ea=(30.7106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-HHH """, ) @@ -12938,18 +9317,11 @@ index = 652, label = "C2H5 + C6H12 <=> C8H17-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1602, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3257, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1602,'cm^3/(mol*s)'), n=2.41, Ea=(28.3257,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CsHH """, ) @@ -12958,18 +9330,11 @@ index = 653, label = "C3H7-2 + C6H12 <=> C9H19-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1284, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3467, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1284,'cm^3/(mol*s)'), n=2.41, Ea=(23.3467,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -12978,18 +9343,11 @@ index = 654, label = "C6H12 + C4H9 <=> C10H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (952, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.4054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(952,'cm^3/(mol*s)'), n=2.41, Ea=(17.4054,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -12998,18 +9356,11 @@ index = 655, label = "allyl + C6H12 <=> C9H17-9", degeneracy = 4.0, - kinetics = Arrhenius( - A = (33280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.0279, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33280,'cm^3/(mol*s)'), n=2.41, Ea=(57.0279,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdHH """, ) @@ -13018,18 +9369,11 @@ index = 656, label = "C4H7-2 + C6H12 <=> C10H19-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.0238, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(56.0238,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -13038,18 +9382,11 @@ index = 657, label = "C5H9 + C6H12 <=> C11H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (374, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.9653, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(374,'cm^3/(mol*s)'), n=2.41, Ea=(51.9653,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -13058,18 +9395,11 @@ index = 658, label = "C5H7-3 + C6H12 <=> C11H19-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.0651, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5840,'cm^3/(mol*s)'), n=2.41, Ea=(76.0651,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -13078,18 +9408,11 @@ index = 659, label = "C6H9-12 + C6H12 <=> C12H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1994, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.2702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1994,'cm^3/(mol*s)'), n=2.41, Ea=(75.2702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -13098,18 +9421,11 @@ index = 660, label = "C7H7-3 + C6H12 <=> C13H19-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.321, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7720,'cm^3/(mol*s)'), n=2.41, Ea=(47.321,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CbHH """, ) @@ -13118,18 +9434,11 @@ index = 661, label = "C8H9 + C6H12 <=> C14H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1898, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1898,'cm^3/(mol*s)'), n=2.41, Ea=(44.3922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -13138,18 +9447,11 @@ index = 662, label = "C9H11-15 + C6H12 <=> C15H23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (304, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.1329, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(304,'cm^3/(mol*s)'), n=2.41, Ea=(42.1329,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -13158,18 +9460,11 @@ index = 663, label = "C3H3 + C6H12 <=> C9H15-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7140,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CtHH """, ) @@ -13178,18 +9473,11 @@ index = 664, label = "C4H5-12 + C6H12 <=> C10H17-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1608, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1608,'cm^3/(mol*s)'), n=2.41, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -13198,18 +9486,11 @@ index = 665, label = "C5H7-5 + C6H12 <=> C11H19-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(410,'cm^3/(mol*s)'), n=2.41, Ea=(41.4634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -13218,18 +9499,11 @@ index = 666, label = "C2H3 + C6H12 <=> C8H15-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10780,'cm^3/(mol*s)'), n=2.41, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CdsJ-H """, ) @@ -13238,18 +9512,11 @@ index = 667, label = "C3H5 + C6H12 <=> C9H17-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.8072, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5720,'cm^3/(mol*s)'), n=2.41, Ea=(13.8072,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CdsJ-Cs """, ) @@ -13258,18 +9525,11 @@ index = 668, label = "C6H5 + C6H12 <=> C12H17-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.72792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17040,'cm^3/(mol*s)'), n=2.41, Ea=(4.72792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;CbJ """, ) @@ -13278,18 +9538,11 @@ index = 669, label = "CH3 + C6H10-2 <=> C7H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.6271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7030,'cm^3/(mol*s)'), n=2.41, Ea=(20.6271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-HHH """, ) @@ -13298,18 +9551,11 @@ index = 670, label = "C6H10-2 + C2H5 <=> C8H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (714, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(714,'cm^3/(mol*s)'), n=2.41, Ea=(18.2422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CsHH """, ) @@ -13318,18 +9564,11 @@ index = 671, label = "C6H10-2 + C3H7-2 <=> C9H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (573, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(573,'cm^3/(mol*s)'), n=2.41, Ea=(13.2633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CsCsH """, ) @@ -13338,18 +9577,11 @@ index = 672, label = "C6H10-2 + C4H9 <=> C10H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (425, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(425,'cm^3/(mol*s)'), n=2.41, Ea=(7.322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -13358,18 +9590,11 @@ index = 673, label = "C6H10-2 + allyl <=> C9H15-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9445, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14840,'cm^3/(mol*s)'), n=2.41, Ea=(46.9445,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdHH """, ) @@ -13378,18 +9603,11 @@ index = 674, label = "C6H10-2 + C4H7-2 <=> C10H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCsH """, ) @@ -13398,18 +9616,11 @@ index = 675, label = "C6H10-2 + C5H9 <=> C11H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (167, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(167,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -13418,18 +9629,11 @@ index = 676, label = "C6H10-2 + C5H7-3 <=> C11H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.9817, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2610,'cm^3/(mol*s)'), n=2.41, Ea=(65.9817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCdH """, ) @@ -13438,18 +9642,11 @@ index = 677, label = "C6H9-12 + C6H10-2 <=> C12H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.2286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(890,'cm^3/(mol*s)'), n=2.41, Ea=(65.2286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -13458,18 +9655,11 @@ index = 678, label = "C6H10-2 + C7H7-3 <=> C13H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3440,'cm^3/(mol*s)'), n=2.41, Ea=(37.2376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CbHH """, ) @@ -13478,18 +9668,11 @@ index = 679, label = "C6H10-2 + C8H9 <=> C14H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (847, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(847,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CbCsH """, ) @@ -13498,18 +9681,11 @@ index = 680, label = "C6H10-2 + C9H11-15 <=> C15H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -13518,18 +9694,11 @@ index = 681, label = "C3H3 + C6H10-2 <=> C9H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1916, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(36.1916,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CtHH """, ) @@ -13538,18 +9707,11 @@ index = 682, label = "C4H5-12 + C6H10-2 <=> C10H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (717, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(717,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CtCsH """, ) @@ -13558,18 +9720,11 @@ index = 683, label = "C5H7-5 + C6H10-2 <=> C11H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (183, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(183,'cm^3/(mol*s)'), n=2.41, Ea=(31.4218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -13578,18 +9733,11 @@ index = 684, label = "C2H3 + C6H10-2 <=> C8H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4810,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CdsJ-H """, ) @@ -13598,18 +9746,11 @@ index = 685, label = "C3H5 + C6H10-2 <=> C9H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CdsJ-Cs """, ) @@ -13618,18 +9759,11 @@ index = 686, label = "C6H10-2 + C6H5 <=> C12H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.35552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(-5.35552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;CbJ """, ) @@ -13638,18 +9772,11 @@ index = 687, label = "CH3 + C7H12 <=> C8H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.8698, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7980,'cm^3/(mol*s)'), n=2.41, Ea=(18.8698,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-HHH """, ) @@ -13658,18 +9785,11 @@ index = 688, label = "C7H12 + C2H5 <=> C9H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (811, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.485, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(811,'cm^3/(mol*s)'), n=2.41, Ea=(16.485,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CsHH """, ) @@ -13678,18 +9798,11 @@ index = 689, label = "C7H12 + C3H7-2 <=> C10H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(650,'cm^3/(mol*s)'), n=2.41, Ea=(11.506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -13698,18 +9811,11 @@ index = 690, label = "C7H12 + C4H9 <=> C11H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (482, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.60656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(482,'cm^3/(mol*s)'), n=2.41, Ea=(5.60656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -13718,18 +9824,11 @@ index = 691, label = "allyl + C7H12 <=> C10H17-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1872, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16860,'cm^3/(mol*s)'), n=2.41, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdHH """, ) @@ -13738,18 +9837,11 @@ index = 692, label = "C7H12 + C4H7-2 <=> C11H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.183, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1470,'cm^3/(mol*s)'), n=2.41, Ea=(44.183,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -13758,18 +9850,11 @@ index = 693, label = "C7H12 + C5H9 <=> C12H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(190,'cm^3/(mol*s)'), n=2.41, Ea=(40.1246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -13778,18 +9863,11 @@ index = 694, label = "C5H7-3 + C7H12 <=> C12H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.2244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2960,'cm^3/(mol*s)'), n=2.41, Ea=(64.2244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -13798,18 +9876,11 @@ index = 695, label = "C6H9-12 + C7H12 <=> C13H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.4713, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(63.4713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -13818,18 +9889,11 @@ index = 696, label = "C7H12 + C7H7-3 <=> C14H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4803, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3910,'cm^3/(mol*s)'), n=2.41, Ea=(35.4803,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CbHH """, ) @@ -13838,18 +9902,11 @@ index = 697, label = "C7H12 + C8H9 <=> C15H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (961, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5515, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(961,'cm^3/(mol*s)'), n=2.41, Ea=(32.5515,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -13858,18 +9915,11 @@ index = 698, label = "C7H12 + C9H11-15 <=> C16H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (154, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(154,'cm^3/(mol*s)'), n=2.41, Ea=(30.2922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -13878,18 +9928,11 @@ index = 699, label = "C3H3 + C7H12 <=> C10H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3610,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CtHH """, ) @@ -13898,18 +9941,11 @@ index = 700, label = "C4H5-12 + C7H12 <=> C11H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (814, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5097, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(814,'cm^3/(mol*s)'), n=2.41, Ea=(32.5097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -13918,18 +9954,11 @@ index = 701, label = "C5H7-5 + C7H12 <=> C12H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (208, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.6646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(208,'cm^3/(mol*s)'), n=2.41, Ea=(29.6646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -13938,18 +9967,11 @@ index = 702, label = "C2H3 + C7H12 <=> C9H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.84512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5460,'cm^3/(mol*s)'), n=2.41, Ea=(2.84512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CdsJ-H """, ) @@ -13958,18 +9980,11 @@ index = 703, label = "C3H5 + C7H12 <=> C10H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.96648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(1.96648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CdsJ-Cs """, ) @@ -13978,18 +9993,11 @@ index = 704, label = "C7H12 + C6H5 <=> C13H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.1128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8630,'cm^3/(mol*s)'), n=2.41, Ea=(-7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;CbJ """, ) @@ -13998,18 +10006,11 @@ index = 705, label = "CH3 + C8H12 <=> C9H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (24300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.1042, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24300,'cm^3/(mol*s)'), n=2.41, Ea=(15.1042,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-HHH """, ) @@ -14018,18 +10019,11 @@ index = 706, label = "C8H12 + C2H5 <=> C10H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.7194, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(12.7194,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CsHH """, ) @@ -14038,18 +10032,11 @@ index = 707, label = "C8H12 + C3H7-2 <=> C11H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.7404, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(7.7404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -14058,18 +10045,11 @@ index = 708, label = "C8H12 + C4H9 <=> C12H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.79912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1470,'cm^3/(mol*s)'), n=2.41, Ea=(1.79912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -14078,18 +10058,11 @@ index = 709, label = "C8H12 + allyl <=> C11H17-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (51400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51400,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdHH """, ) @@ -14098,18 +10071,11 @@ index = 710, label = "C8H12 + C4H7-2 <=> C12H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4470,'cm^3/(mol*s)'), n=2.41, Ea=(40.4174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -14118,18 +10084,11 @@ index = 711, label = "C8H12 + C5H9 <=> C13H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (578, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(578,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -14138,18 +10097,11 @@ index = 712, label = "C5H7-3 + C8H12 <=> C13H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.4588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9020,'cm^3/(mol*s)'), n=2.41, Ea=(60.4588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -14158,18 +10110,11 @@ index = 713, label = "C8H12 + C6H9-12 <=> C14H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3080,'cm^3/(mol*s)'), n=2.41, Ea=(59.7057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -14178,18 +10123,11 @@ index = 714, label = "C8H12 + C7H7-3 <=> C15H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7147, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11900,'cm^3/(mol*s)'), n=2.41, Ea=(31.7147,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CbHH """, ) @@ -14198,18 +10136,11 @@ index = 715, label = "C8H12 + C8H9 <=> C16H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7859, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2930,'cm^3/(mol*s)'), n=2.41, Ea=(28.7859,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -14218,18 +10149,11 @@ index = 716, label = "C8H12 + C9H11-15 <=> C17H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (468, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.5266, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(468,'cm^3/(mol*s)'), n=2.41, Ea=(26.5266,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -14238,18 +10162,11 @@ index = 717, label = "C3H3 + C8H12 <=> C11H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.6687, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11000,'cm^3/(mol*s)'), n=2.41, Ea=(30.6687,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CtHH """, ) @@ -14258,18 +10175,11 @@ index = 718, label = "C4H5-12 + C8H12 <=> C12H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.41, Ea=(28.7441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -14278,18 +10188,11 @@ index = 719, label = "C5H7-5 + C8H12 <=> C13H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (633, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(633,'cm^3/(mol*s)'), n=2.41, Ea=(25.8571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -14298,18 +10201,11 @@ index = 720, label = "C2H3 + C8H12 <=> C10H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.92048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16600,'cm^3/(mol*s)'), n=2.41, Ea=(-0.92048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CdsJ-H """, ) @@ -14318,18 +10214,11 @@ index = 721, label = "C3H5 + C8H12 <=> C11H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.79912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8830,'cm^3/(mol*s)'), n=2.41, Ea=(-1.79912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CdsJ-Cs """, ) @@ -14338,18 +10227,11 @@ index = 722, label = "C8H12 + C6H5 <=> C14H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.8784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26300,'cm^3/(mol*s)'), n=2.41, Ea=(-10.8784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;CbJ """, ) @@ -14358,18 +10240,11 @@ index = 723, label = "CH3 + C10H12-2 <=> C11H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2300,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-HHH """, ) @@ -14378,18 +10253,11 @@ index = 724, label = "C2H5 + C10H12-2 <=> C12H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (233, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.6061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(233,'cm^3/(mol*s)'), n=2.41, Ea=(25.6061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CsHH """, ) @@ -14398,18 +10266,11 @@ index = 725, label = "C10H12-2 + C3H7-2 <=> C13H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (187, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(187,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CsCsH """, ) @@ -14418,18 +10279,11 @@ index = 726, label = "C10H12-2 + C4H9 <=> C14H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (139, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(139,'cm^3/(mol*s)'), n=2.41, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -14438,18 +10292,11 @@ index = 727, label = "allyl + C10H12-2 <=> C13H17-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.3083, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4840,'cm^3/(mol*s)'), n=2.41, Ea=(54.3083,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdHH """, ) @@ -14458,18 +10305,11 @@ index = 728, label = "C4H7-2 + C10H12-2 <=> C14H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3042, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(53.3042,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCsH """, ) @@ -14478,18 +10318,11 @@ index = 729, label = "C5H9 + C10H12-2 <=> C15H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (54.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(54.6,'cm^3/(mol*s)'), n=2.41, Ea=(49.2038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -14498,18 +10331,11 @@ index = 730, label = "C5H7-3 + C10H12-2 <=> C15H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (851, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.3037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(851,'cm^3/(mol*s)'), n=2.41, Ea=(73.3037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCdH """, ) @@ -14518,18 +10344,11 @@ index = 731, label = "C6H9-12 + C10H12-2 <=> C16H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (291, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.5506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(291,'cm^3/(mol*s)'), n=2.41, Ea=(72.5506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -14538,18 +10357,11 @@ index = 732, label = "C7H7-3 + C10H12-2 <=> C17H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.5596, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(44.5596,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CbHH """, ) @@ -14558,18 +10370,11 @@ index = 733, label = "C10H12-2 + C8H9 <=> C18H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (276, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.6308, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(276,'cm^3/(mol*s)'), n=2.41, Ea=(41.6308,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CbCsH """, ) @@ -14578,18 +10383,11 @@ index = 734, label = "C9H11-15 + C10H12-2 <=> C19H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.4133, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44.2,'cm^3/(mol*s)'), n=2.41, Ea=(39.4133,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -14598,18 +10396,11 @@ index = 735, label = "C3H3 + C10H12-2 <=> C13H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5136, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1040,'cm^3/(mol*s)'), n=2.41, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CtHH """, ) @@ -14618,18 +10409,11 @@ index = 736, label = "C4H5-12 + C10H12-2 <=> C14H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (234, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(234,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CtCsH """, ) @@ -14638,18 +10422,11 @@ index = 737, label = "C5H7-5 + C10H12-2 <=> C15H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (59.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(59.7,'cm^3/(mol*s)'), n=2.41, Ea=(38.7438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -14658,18 +10435,11 @@ index = 738, label = "C2H3 + C10H12-2 <=> C12H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.9662, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(11.9662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CdsJ-H """, ) @@ -14678,18 +10448,11 @@ index = 739, label = "C3H5 + C10H12-2 <=> C13H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (833, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(833,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CdsJ-Cs """, ) @@ -14698,18 +10461,11 @@ index = 740, label = "C6H5 + C10H12-2 <=> C16H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.96648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.41, Ea=(1.96648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;CbJ """, ) @@ -14718,18 +10474,11 @@ index = 741, label = "CH3 + C11H14 <=> C12H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4870,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-HHH """, ) @@ -14738,18 +10487,11 @@ index = 742, label = "C2H5 + C11H14 <=> C13H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (495, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(495,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CsHH """, ) @@ -14758,18 +10500,11 @@ index = 743, label = "C11H14 + C3H7-2 <=> C14H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(19.9158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -14778,18 +10513,11 @@ index = 744, label = "C11H14 + C4H9 <=> C15H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.0164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(14.0164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -14798,18 +10526,11 @@ index = 745, label = "allyl + C11H14 <=> C14H19-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10280,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdHH """, ) @@ -14818,18 +10539,11 @@ index = 746, label = "C4H7-2 + C11H14 <=> C15H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (895, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.6347, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(895,'cm^3/(mol*s)'), n=2.41, Ea=(52.6347,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -14838,18 +10552,11 @@ index = 747, label = "C5H9 + C11H14 <=> C16H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (116, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(116,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -14858,18 +10565,11 @@ index = 748, label = "C5H7-3 + C11H14 <=> C16H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.6342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(72.6342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -14878,18 +10578,11 @@ index = 749, label = "C6H9-12 + C11H14 <=> C17H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.8811, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(71.8811,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -14898,18 +10591,11 @@ index = 750, label = "C7H7-3 + C11H14 <=> C18H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2380,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CbHH """, ) @@ -14918,18 +10604,11 @@ index = 751, label = "C8H9 + C11H14 <=> C19H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (586, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(586,'cm^3/(mol*s)'), n=2.41, Ea=(40.9614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -14938,18 +10617,11 @@ index = 752, label = "C9H11-15 + C11H14 <=> C20H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.8,'cm^3/(mol*s)'), n=2.41, Ea=(38.7438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -14958,18 +10630,11 @@ index = 753, label = "C3H3 + C11H14 <=> C14H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.8442, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2200,'cm^3/(mol*s)'), n=2.41, Ea=(42.8442,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CtHH """, ) @@ -14978,18 +10643,11 @@ index = 754, label = "C4H5-12 + C11H14 <=> C15H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (497, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(497,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -14998,18 +10656,11 @@ index = 755, label = "C5H7-5 + C11H14 <=> C16H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (127, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(127,'cm^3/(mol*s)'), n=2.41, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -15018,18 +10669,11 @@ index = 756, label = "C2H3 + C11H14 <=> C13H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.2968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3330,'cm^3/(mol*s)'), n=2.41, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CdsJ-H """, ) @@ -15038,18 +10682,11 @@ index = 757, label = "C3H5 + C11H14 <=> C14H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.3763, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(10.3763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CdsJ-Cs """, ) @@ -15058,18 +10695,11 @@ index = 758, label = "C6H5 + C11H14 <=> C17H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.29704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5260,'cm^3/(mol*s)'), n=2.41, Ea=(1.29704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;CbJ """, ) @@ -15078,18 +10708,11 @@ index = 759, label = "C6H8-9 + CH3 <=> C7H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9120,'cm^3/(mol*s)'), n=2.41, Ea=(19.9995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-HHH """, ) @@ -15098,18 +10721,11 @@ index = 760, label = "C6H8-9 + C2H5 <=> C8H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (926, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(926,'cm^3/(mol*s)'), n=2.41, Ea=(17.6146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CsHH """, ) @@ -15118,18 +10734,11 @@ index = 761, label = "C6H8-9 + C3H7-2 <=> C9H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (743, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.5938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(743,'cm^3/(mol*s)'), n=2.41, Ea=(12.5938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CsCsH """, ) @@ -15138,18 +10747,11 @@ index = 762, label = "C6H8-9 + C4H9 <=> C10H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(550,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -15158,18 +10760,11 @@ index = 763, label = "C6H8-9 + allyl <=> C9H13-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19240,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdHH """, ) @@ -15178,18 +10773,11 @@ index = 764, label = "C6H8-9 + C4H7-2 <=> C10H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCsH """, ) @@ -15198,18 +10786,11 @@ index = 765, label = "C6H8-9 + C5H9 <=> C11H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (217, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2124, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(217,'cm^3/(mol*s)'), n=2.41, Ea=(41.2124,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -15218,18 +10799,11 @@ index = 766, label = "C6H8-9 + C5H7-3 <=> C11H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.3122, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3380,'cm^3/(mol*s)'), n=2.41, Ea=(65.3122,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCdH """, ) @@ -15238,18 +10812,11 @@ index = 767, label = "C6H8-9 + C6H9-12 <=> C12H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.5591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(64.5591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -15258,18 +10825,11 @@ index = 768, label = "C6H8-9 + C7H7-3 <=> C13H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4460,'cm^3/(mol*s)'), n=2.41, Ea=(36.5682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CbHH """, ) @@ -15278,18 +10838,11 @@ index = 769, label = "C6H8-9 + C8H9 <=> C14H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CbCsH """, ) @@ -15298,18 +10851,11 @@ index = 770, label = "C6H8-9 + C9H11-15 <=> C15H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (176, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(176,'cm^3/(mol*s)'), n=2.41, Ea=(31.4218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -15318,18 +10864,11 @@ index = 771, label = "C6H8-9 + C3H3 <=> C9H11-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4120,'cm^3/(mol*s)'), n=2.41, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CtHH """, ) @@ -15338,18 +10877,11 @@ index = 772, label = "C6H8-9 + C4H5-12 <=> C10H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5975, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(930,'cm^3/(mol*s)'), n=2.41, Ea=(33.5975,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CtCsH """, ) @@ -15358,18 +10890,11 @@ index = 773, label = "C6H8-9 + C5H7-5 <=> C11H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (237, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(237,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -15378,18 +10903,11 @@ index = 774, label = "C6H8-9 + C2H3 <=> C8H11-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.9748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6240,'cm^3/(mol*s)'), n=2.41, Ea=(3.9748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CdsJ-H """, ) @@ -15398,18 +10916,11 @@ index = 775, label = "C6H8-9 + C3H5 <=> C9H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.09616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3310,'cm^3/(mol*s)'), n=2.41, Ea=(3.09616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CdsJ-Cs """, ) @@ -15418,18 +10929,11 @@ index = 776, label = "C6H8-9 + C6H5 <=> C12H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.02496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9860,'cm^3/(mol*s)'), n=2.41, Ea=(-6.02496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;CbJ """, ) @@ -15438,18 +10942,11 @@ index = 777, label = "C7H10-4 + CH3 <=> C8H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.623, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9330,'cm^3/(mol*s)'), n=2.41, Ea=(19.623,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-HHH """, ) @@ -15458,18 +10955,11 @@ index = 778, label = "C7H10-4 + C2H5 <=> C9H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (948, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.2381, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(948,'cm^3/(mol*s)'), n=2.41, Ea=(17.2381,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CsHH """, ) @@ -15478,18 +10968,11 @@ index = 779, label = "C7H10-4 + C3H7-2 <=> C10H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (761, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.2591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(761,'cm^3/(mol*s)'), n=2.41, Ea=(12.2591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -15498,18 +10981,11 @@ index = 780, label = "C7H10-4 + C4H9 <=> C11H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (563, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.31784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(563,'cm^3/(mol*s)'), n=2.41, Ea=(6.31784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -15518,18 +10994,11 @@ index = 781, label = "C7H10-4 + allyl <=> C10H15-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9403, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19700,'cm^3/(mol*s)'), n=2.41, Ea=(45.9403,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdHH """, ) @@ -15538,18 +11007,11 @@ index = 782, label = "C7H10-4 + C4H7-2 <=> C11H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -15558,18 +11020,11 @@ index = 783, label = "C7H10-4 + C5H9 <=> C12H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (222, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8777, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(222,'cm^3/(mol*s)'), n=2.41, Ea=(40.8777,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -15578,18 +11033,11 @@ index = 784, label = "C7H10-4 + C5H7-3 <=> C12H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.9775, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3460,'cm^3/(mol*s)'), n=2.41, Ea=(64.9775,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -15598,18 +11046,11 @@ index = 785, label = "C7H10-4 + C6H9-12 <=> C13H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.2244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1180,'cm^3/(mol*s)'), n=2.41, Ea=(64.2244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -15618,18 +11059,11 @@ index = 786, label = "C7H10-4 + C7H7-3 <=> C14H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4570,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CbHH """, ) @@ -15638,18 +11072,11 @@ index = 787, label = "C7H10-4 + C8H9 <=> C15H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3046, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(33.3046,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -15658,18 +11085,11 @@ index = 788, label = "C7H10-4 + C9H11-15 <=> C16H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0453, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(180,'cm^3/(mol*s)'), n=2.41, Ea=(31.0453,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -15678,18 +11098,11 @@ index = 789, label = "C7H10-4 + C3H3 <=> C10H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(35.1874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CtHH """, ) @@ -15698,18 +11111,11 @@ index = 790, label = "C7H10-4 + C4H5-12 <=> C11H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (952, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.2628, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(952,'cm^3/(mol*s)'), n=2.41, Ea=(33.2628,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -15718,18 +11124,11 @@ index = 791, label = "C7H10-4 + C5H7-5 <=> C12H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (243, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(243,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -15738,18 +11137,11 @@ index = 792, label = "C7H10-4 + C2H3 <=> C9H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.59824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6390,'cm^3/(mol*s)'), n=2.41, Ea=(3.59824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CdsJ-H """, ) @@ -15758,18 +11150,11 @@ index = 793, label = "C7H10-4 + C3H5 <=> C10H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.7196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CdsJ-Cs """, ) @@ -15778,18 +11163,11 @@ index = 794, label = "C7H10-4 + C6H5 <=> C13H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.35968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.35968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;CbJ """, ) @@ -15798,18 +11176,11 @@ index = 795, label = "CH3 + C5H8-3 <=> C6H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6740,'cm^3/(mol*s)'), n=2.41, Ea=(36.0242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-HHH """, ) @@ -15818,18 +11189,11 @@ index = 796, label = "C5H8-3 + C2H5 <=> C7H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (684, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6394, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(684,'cm^3/(mol*s)'), n=2.41, Ea=(33.6394,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CsHH """, ) @@ -15838,18 +11202,11 @@ index = 797, label = "C5H8-3 + C3H7-2 <=> C8H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (549, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(549,'cm^3/(mol*s)'), n=2.41, Ea=(28.6186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CsCsH """, ) @@ -15858,18 +11215,11 @@ index = 798, label = "C5H8-3 + C4H9 <=> C9H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (407, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.7191, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(407,'cm^3/(mol*s)'), n=2.41, Ea=(22.7191,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CsCsCs """, ) @@ -15878,18 +11228,11 @@ index = 799, label = "C5H8-3 + allyl <=> C8H13-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.3416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14220,'cm^3/(mol*s)'), n=2.41, Ea=(62.3416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdHH """, ) @@ -15898,18 +11241,11 @@ index = 800, label = "C5H8-3 + C4H7-2 <=> C9H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.3374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(61.3374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCsH """, ) @@ -15918,18 +11254,11 @@ index = 801, label = "C5H8-3 + C5H9 <=> C10H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.2371, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(160,'cm^3/(mol*s)'), n=2.41, Ea=(57.2371,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCsCs """, ) @@ -15938,18 +11267,11 @@ index = 802, label = "C5H8-3 + C5H7-3 <=> C10H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.337, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2500,'cm^3/(mol*s)'), n=2.41, Ea=(81.337,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCdH """, ) @@ -15958,18 +11280,11 @@ index = 803, label = "C5H8-3 + C6H9-12 <=> C11H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (852, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.5838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(852,'cm^3/(mol*s)'), n=2.41, Ea=(80.5838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CdCdCs """, ) @@ -15978,18 +11293,11 @@ index = 804, label = "C5H8-3 + C7H7-3 <=> C12H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.5929, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3300,'cm^3/(mol*s)'), n=2.41, Ea=(52.5929,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CbHH """, ) @@ -15998,18 +11306,11 @@ index = 805, label = "C5H8-3 + C8H9 <=> C13H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (811, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(811,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CbCsH """, ) @@ -16018,18 +11319,11 @@ index = 806, label = "C5H8-3 + C9H11-15 <=> C14H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4466, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(47.4466,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CbCsCs """, ) @@ -16038,18 +11332,11 @@ index = 807, label = "C3H3 + C5H8-3 <=> C8H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.5469, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3050,'cm^3/(mol*s)'), n=2.41, Ea=(51.5469,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CtHH """, ) @@ -16058,18 +11345,11 @@ index = 808, label = "C4H5-12 + C5H8-3 <=> C9H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (687, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6222, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(687,'cm^3/(mol*s)'), n=2.41, Ea=(49.6222,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CtCsH """, ) @@ -16078,18 +11358,11 @@ index = 809, label = "C5H7-5 + C5H8-3 <=> C10H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (175, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7771, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(175,'cm^3/(mol*s)'), n=2.41, Ea=(46.7771,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ-CtCsCs """, ) @@ -16098,18 +11371,11 @@ index = 810, label = "C2H3 + C5H8-3 <=> C7H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4610,'cm^3/(mol*s)'), n=2.41, Ea=(19.9995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CdsJ-H """, ) @@ -16118,18 +11384,11 @@ index = 811, label = "C5H8-3 + C3H5 <=> C8H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.079, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(19.079,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CdsJ-Cs """, ) @@ -16138,18 +11397,11 @@ index = 812, label = "C5H8-3 + C6H5 <=> C11H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.99976, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7280,'cm^3/(mol*s)'), n=2.41, Ea=(9.99976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CbJ """, ) @@ -16158,18 +11410,11 @@ index = 813, label = "CH3 + C4H6-2 <=> C5H9-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26400,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-HHH """, ) @@ -16178,18 +11423,11 @@ index = 814, label = "C4H6-2 + C2H5 <=> C6H11-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CsHH """, ) @@ -16198,18 +11436,11 @@ index = 815, label = "C4H6-2 + C3H7-2 <=> C7H13-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.1752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2160,'cm^3/(mol*s)'), n=2.41, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CsCsH """, ) @@ -16218,18 +11449,11 @@ index = 816, label = "C4H6-2 + C4H9 <=> C8H15-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1596, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.2758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1596,'cm^3/(mol*s)'), n=2.41, Ea=(16.2758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CsCsCs """, ) @@ -16238,18 +11462,11 @@ index = 817, label = "C4H6-2 + allyl <=> C7H11-27", degeneracy = 4.0, - kinetics = Arrhenius( - A = (56000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56000,'cm^3/(mol*s)'), n=2.41, Ea=(55.8564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdHH """, ) @@ -16258,18 +11475,11 @@ index = 818, label = "C4H6-2 + C4H7-2 <=> C8H13-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8522, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(54.8522,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCsH """, ) @@ -16278,18 +11488,11 @@ index = 819, label = "C4H6-2 + C5H9 <=> C9H15-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (628, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(628,'cm^3/(mol*s)'), n=2.41, Ea=(50.7938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCsCs """, ) @@ -16298,18 +11501,11 @@ index = 820, label = "C4H6-2 + C5H7-3 <=> C9H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.8936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9800,'cm^3/(mol*s)'), n=2.41, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCdH """, ) @@ -16318,18 +11514,11 @@ index = 821, label = "C6H9-12 + C4H6-2 <=> C10H15-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.1405, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(74.1405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CdCdCs """, ) @@ -16338,18 +11527,11 @@ index = 822, label = "C4H6-2 + C7H7-3 <=> C11H13-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (12940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12940,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CbHH """, ) @@ -16358,18 +11540,11 @@ index = 823, label = "C4H6-2 + C8H9 <=> C12H15-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CbCsH """, ) @@ -16378,18 +11553,11 @@ index = 824, label = "C4H6-2 + C9H11-15 <=> C13H17-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(510,'cm^3/(mol*s)'), n=2.41, Ea=(40.9614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CbCsCs """, ) @@ -16398,18 +11566,11 @@ index = 825, label = "C3H3 + C4H6-2 <=> C7H9-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1035, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11960,'cm^3/(mol*s)'), n=2.41, Ea=(45.1035,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CtHH """, ) @@ -16418,18 +11579,11 @@ index = 826, label = "C4H5-12 + C4H6-2 <=> C8H11-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.1789, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)'), n=2.41, Ea=(43.1789,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CtCsH """, ) @@ -16438,18 +11592,11 @@ index = 827, label = "C5H7-5 + C4H6-2 <=> C9H13-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (688, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3338, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(688,'cm^3/(mol*s)'), n=2.41, Ea=(40.3338,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CsJ-CtCsCs """, ) @@ -16458,18 +11605,11 @@ index = 828, label = "C2H3 + C4H6-2 <=> C6H9-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CdsJ-H """, ) @@ -16478,18 +11618,11 @@ index = 829, label = "C3H5 + C4H6-2 <=> C7H11-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9600,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CdsJ-Cs """, ) @@ -16498,18 +11631,11 @@ index = 830, label = "C4H6-2 + C6H5 <=> C10H11-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (28600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.5564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28600,'cm^3/(mol*s)'), n=2.41, Ea=(3.5564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;CbJ """, ) @@ -16518,18 +11644,11 @@ index = 831, label = "CH3 + C5H8-4 <=> C6H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13300,'cm^3/(mol*s)'), n=2.41, Ea=(28.242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-HHH """, ) @@ -16538,18 +11657,11 @@ index = 832, label = "C5H8-4 + C2H5 <=> C7H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(25.8571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CsHH """, ) @@ -16558,18 +11670,11 @@ index = 833, label = "C5H8-4 + C3H7-2 <=> C8H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.8782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(20.8782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CsCsH """, ) @@ -16578,18 +11683,11 @@ index = 834, label = "C5H8-4 + C4H9 <=> C9H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (801, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.9369, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(801,'cm^3/(mol*s)'), n=2.41, Ea=(14.9369,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CsCsCs """, ) @@ -16598,18 +11696,11 @@ index = 835, label = "C5H8-4 + allyl <=> C8H13-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (28000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.5594, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.41, Ea=(54.5594,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdHH """, ) @@ -16618,18 +11709,11 @@ index = 836, label = "C4H7-2 + C5H8-4 <=> C9H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.5552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(53.5552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCsH """, ) @@ -16638,18 +11722,11 @@ index = 837, label = "C5H8-4 + C5H9 <=> C10H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (316, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.4967, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(316,'cm^3/(mol*s)'), n=2.41, Ea=(49.4967,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCsCs """, ) @@ -16658,18 +11735,11 @@ index = 838, label = "C5H7-3 + C5H8-4 <=> C10H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.5966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4920,'cm^3/(mol*s)'), n=2.41, Ea=(73.5966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCdH """, ) @@ -16678,18 +11748,11 @@ index = 839, label = "C5H8-4 + C6H9-12 <=> C11H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.8016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=2.41, Ea=(72.8016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CdCdCs """, ) @@ -16698,18 +11761,11 @@ index = 840, label = "C5H8-4 + C7H7-3 <=> C12H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.8525, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6500,'cm^3/(mol*s)'), n=2.41, Ea=(44.8525,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CbHH """, ) @@ -16718,18 +11774,11 @@ index = 841, label = "C5H8-4 + C8H9 <=> C13H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9237, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1600,'cm^3/(mol*s)'), n=2.41, Ea=(41.9237,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CbCsH """, ) @@ -16738,18 +11787,11 @@ index = 842, label = "C5H8-4 + C9H11-15 <=> C14H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (256, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(256,'cm^3/(mol*s)'), n=2.41, Ea=(39.6643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CbCsCs """, ) @@ -16758,18 +11800,11 @@ index = 843, label = "C3H3 + C5H8-4 <=> C8H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8065, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6010,'cm^3/(mol*s)'), n=2.41, Ea=(43.8065,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CtHH """, ) @@ -16778,18 +11813,11 @@ index = 844, label = "C4H5-12 + C5H8-4 <=> C9H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CtCsH """, ) @@ -16798,18 +11826,11 @@ index = 845, label = "C5H7-5 + C5H8-4 <=> C10H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (346, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.9949, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(346,'cm^3/(mol*s)'), n=2.41, Ea=(38.9949,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CsJ-CtCsCs """, ) @@ -16818,18 +11839,11 @@ index = 846, label = "C2H3 + C5H8-4 <=> C7H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.2173, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9090,'cm^3/(mol*s)'), n=2.41, Ea=(12.2173,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CdsJ-H """, ) @@ -16838,18 +11852,11 @@ index = 847, label = "C3H5 + C5H8-4 <=> C8H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.3386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4820,'cm^3/(mol*s)'), n=2.41, Ea=(11.3386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CdsJ-Cs """, ) @@ -16858,18 +11865,11 @@ index = 848, label = "C5H8-4 + C6H5 <=> C11H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14400,'cm^3/(mol*s)'), n=2.41, Ea=(2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;CbJ """, ) @@ -16878,18 +11878,11 @@ index = 849, label = "CH3 + C6H10-3 <=> C7H13-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6521, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16700,'cm^3/(mol*s)'), n=2.41, Ea=(26.6521,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-HHH """, ) @@ -16898,18 +11891,11 @@ index = 850, label = "C6H10-3 + C2H5 <=> C8H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CsHH """, ) @@ -16918,18 +11904,11 @@ index = 851, label = "C6H10-3 + C3H7-2 <=> C9H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.2464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CsCsH """, ) @@ -16938,18 +11917,11 @@ index = 852, label = "C6H10-3 + C4H9 <=> C10H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.347, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(13.347,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -16958,18 +11930,11 @@ index = 853, label = "allyl + C6H10-3 <=> C9H15-32", degeneracy = 2.0, - kinetics = Arrhenius( - A = (35200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.9694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35200,'cm^3/(mol*s)'), n=2.41, Ea=(52.9694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdHH """, ) @@ -16978,18 +11943,11 @@ index = 854, label = "C6H10-3 + C4H7-2 <=> C10H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.9653, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3070,'cm^3/(mol*s)'), n=2.41, Ea=(51.9653,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCsH """, ) @@ -16998,18 +11956,11 @@ index = 855, label = "C5H9 + C6H10-3 <=> C11H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.865, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(47.865,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -17018,18 +11969,11 @@ index = 856, label = "C6H10-3 + C5H7-3 <=> C11H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.9648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6190,'cm^3/(mol*s)'), n=2.41, Ea=(71.9648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCdH """, ) @@ -17038,18 +11982,11 @@ index = 857, label = "C6H9-12 + C6H10-3 <=> C12H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2117, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2110,'cm^3/(mol*s)'), n=2.41, Ea=(71.2117,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -17058,18 +11995,11 @@ index = 858, label = "C6H10-3 + C7H7-3 <=> C13H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8180,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CbHH """, ) @@ -17078,18 +12008,11 @@ index = 859, label = "C6H10-3 + C8H9 <=> C14H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2919, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(40.2919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CbCsH """, ) @@ -17098,18 +12021,11 @@ index = 860, label = "C6H10-3 + C9H11-15 <=> C15H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (322, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(322,'cm^3/(mol*s)'), n=2.41, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -17118,18 +12034,11 @@ index = 861, label = "C3H3 + C6H10-3 <=> C9H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.1747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7560,'cm^3/(mol*s)'), n=2.41, Ea=(42.1747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CtHH """, ) @@ -17138,18 +12047,11 @@ index = 862, label = "C4H5-12 + C6H10-3 <=> C10H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2501, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(40.2501,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CtCsH """, ) @@ -17158,18 +12060,11 @@ index = 863, label = "C5H7-5 + C6H10-3 <=> C11H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (435, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.405, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(435,'cm^3/(mol*s)'), n=2.41, Ea=(37.405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -17178,18 +12073,11 @@ index = 864, label = "C2H3 + C6H10-3 <=> C8H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.6274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11400,'cm^3/(mol*s)'), n=2.41, Ea=(10.6274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CdsJ-H """, ) @@ -17198,18 +12086,11 @@ index = 865, label = "C3H5 + C6H10-3 <=> C9H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.70688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6060,'cm^3/(mol*s)'), n=2.41, Ea=(9.70688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CdsJ-Cs """, ) @@ -17218,18 +12099,11 @@ index = 866, label = "C6H10-3 + C6H5 <=> C12H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.6276, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(0.6276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;CbJ """, ) @@ -17238,18 +12112,11 @@ index = 867, label = "CH3 + C6H8-3 <=> C7H11-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.5686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29800,'cm^3/(mol*s)'), n=2.41, Ea=(16.5686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-HHH """, ) @@ -17258,18 +12125,11 @@ index = 868, label = "C6H8-3 + C2H5 <=> C8H13-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3020,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CsHH """, ) @@ -17278,18 +12138,11 @@ index = 869, label = "C6H8-3 + C3H7-2 <=> C9H15-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.16296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2420,'cm^3/(mol*s)'), n=2.41, Ea=(9.16296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CsCsH """, ) @@ -17298,18 +12151,11 @@ index = 870, label = "C6H8-3 + C4H9 <=> C10H17-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.26352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(3.26352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CsCsCs """, ) @@ -17318,18 +12164,11 @@ index = 871, label = "C6H8-3 + allyl <=> C9H13-26", degeneracy = 4.0, - kinetics = Arrhenius( - A = (62800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(62800,'cm^3/(mol*s)'), n=2.41, Ea=(42.886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdHH """, ) @@ -17338,18 +12177,11 @@ index = 872, label = "C6H8-3 + C4H7-2 <=> C10H15-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5480,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCsH """, ) @@ -17358,18 +12190,11 @@ index = 873, label = "C5H9 + C6H8-3 <=> C11H17-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (708, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(708,'cm^3/(mol*s)'), n=2.41, Ea=(37.8234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCsCs """, ) @@ -17378,18 +12203,11 @@ index = 874, label = "C6H8-3 + C5H7-3 <=> C11H15-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.8814, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11060,'cm^3/(mol*s)'), n=2.41, Ea=(61.8814,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCdH """, ) @@ -17398,18 +12216,11 @@ index = 875, label = "C6H9-12 + C6H8-3 <=> C12H17-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.1282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3780,'cm^3/(mol*s)'), n=2.41, Ea=(61.1282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CdCdCs """, ) @@ -17418,18 +12229,11 @@ index = 876, label = "C6H8-3 + C7H7-3 <=> C13H15-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CbHH """, ) @@ -17438,18 +12242,11 @@ index = 877, label = "C6H8-3 + C8H9 <=> C14H17-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2503, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3580,'cm^3/(mol*s)'), n=2.41, Ea=(30.2503,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CbCsH """, ) @@ -17458,18 +12255,11 @@ index = 878, label = "C6H8-3 + C9H11-15 <=> C15H19-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (574, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(574,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CbCsCs """, ) @@ -17478,18 +12268,11 @@ index = 879, label = "C3H3 + C6H8-3 <=> C9H11-23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13500,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CtHH """, ) @@ -17498,18 +12281,11 @@ index = 880, label = "C4H5-12 + C6H8-3 <=> C10H13-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1666, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3040,'cm^3/(mol*s)'), n=2.41, Ea=(30.1666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CtCsH """, ) @@ -17518,18 +12294,11 @@ index = 881, label = "C5H7-5 + C6H8-3 <=> C11H15-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (776, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(776,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CsJ-CtCsCs """, ) @@ -17538,18 +12307,11 @@ index = 882, label = "C2H3 + C6H8-3 <=> C8H11-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CdsJ-H """, ) @@ -17558,18 +12320,11 @@ index = 883, label = "C3H5 + C6H8-3 <=> C9H13-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.33472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10820,'cm^3/(mol*s)'), n=2.41, Ea=(-0.33472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CdsJ-Cs """, ) @@ -17578,18 +12333,11 @@ index = 884, label = "C6H8-3 + C6H5 <=> C12H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (32200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32200,'cm^3/(mol*s)'), n=2.41, Ea=(-9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;CbJ """, ) @@ -17598,18 +12346,11 @@ index = 885, label = "CH3 + C7H10-5 <=> C8H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16900,'cm^3/(mol*s)'), n=2.41, Ea=(14.8114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-HHH """, ) @@ -17618,18 +12359,11 @@ index = 886, label = "C7H10-5 + C2H5 <=> C9H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CsHH """, ) @@ -17638,18 +12372,11 @@ index = 887, label = "C7H10-5 + C3H7-2 <=> C10H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.40568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1380,'cm^3/(mol*s)'), n=2.41, Ea=(7.40568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CsCsH """, ) @@ -17658,18 +12385,11 @@ index = 888, label = "C7H10-5 + C4H9 <=> C11H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.50624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1020,'cm^3/(mol*s)'), n=2.41, Ea=(1.50624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -17678,18 +12398,11 @@ index = 889, label = "allyl + C7H10-5 <=> C10H15-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (35800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.1287, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35800,'cm^3/(mol*s)'), n=2.41, Ea=(41.1287,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdHH """, ) @@ -17698,18 +12411,11 @@ index = 890, label = "C7H10-5 + C4H7-2 <=> C11H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(40.1246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCsH """, ) @@ -17718,18 +12424,11 @@ index = 891, label = "C5H9 + C7H10-5 <=> C12H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (402, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0661, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(402,'cm^3/(mol*s)'), n=2.41, Ea=(36.0661,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -17738,18 +12437,11 @@ index = 892, label = "C5H7-3 + C7H10-5 <=> C12H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.1241, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6270,'cm^3/(mol*s)'), n=2.41, Ea=(60.1241,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCdH """, ) @@ -17758,18 +12450,11 @@ index = 893, label = "C6H9-12 + C7H10-5 <=> C13H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.371, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(59.371,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -17778,18 +12463,11 @@ index = 894, label = "C7H10-5 + C7H7-3 <=> C14H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.38, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8280,'cm^3/(mol*s)'), n=2.41, Ea=(31.38,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CbHH """, ) @@ -17798,18 +12476,11 @@ index = 895, label = "C7H10-5 + C8H9 <=> C15H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.493, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2040,'cm^3/(mol*s)'), n=2.41, Ea=(28.493,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CbCsH """, ) @@ -17818,18 +12489,11 @@ index = 896, label = "C7H10-5 + C9H11-15 <=> C16H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (326, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2337, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(326,'cm^3/(mol*s)'), n=2.41, Ea=(26.2337,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -17838,18 +12502,11 @@ index = 897, label = "C3H3 + C7H10-5 <=> C10H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.3758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7660,'cm^3/(mol*s)'), n=2.41, Ea=(30.3758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CtHH """, ) @@ -17858,18 +12515,11 @@ index = 898, label = "C4H5-12 + C7H10-5 <=> C11H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.4094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1730,'cm^3/(mol*s)'), n=2.41, Ea=(28.4094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CtCsH """, ) @@ -17878,18 +12528,11 @@ index = 899, label = "C5H7-5 + C7H10-5 <=> C12H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.5642, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(440,'cm^3/(mol*s)'), n=2.41, Ea=(25.5642,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -17898,18 +12541,11 @@ index = 900, label = "C2H3 + C7H10-5 <=> C9H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.21336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11600,'cm^3/(mol*s)'), n=2.41, Ea=(-1.21336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CdsJ-H """, ) @@ -17918,18 +12554,11 @@ index = 901, label = "C3H5 + C7H10-5 <=> C10H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6140,'cm^3/(mol*s)'), n=2.41, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CdsJ-Cs """, ) @@ -17938,18 +12567,11 @@ index = 902, label = "C7H10-5 + C6H5 <=> C13H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.2131, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18300,'cm^3/(mol*s)'), n=2.41, Ea=(-11.2131,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;CbJ """, ) @@ -17958,18 +12580,11 @@ index = 903, label = "CH3 + C8H10 <=> C9H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (51600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51600,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-HHH """, ) @@ -17978,18 +12593,11 @@ index = 904, label = "C8H10 + C2H5 <=> C10H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5240,'cm^3/(mol*s)'), n=2.41, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CsHH """, ) @@ -17998,18 +12606,11 @@ index = 905, label = "C8H10 + C3H7-2 <=> C11H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.64008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4200,'cm^3/(mol*s)'), n=2.41, Ea=(3.64008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CsCsH """, ) @@ -18018,18 +12619,11 @@ index = 906, label = "C8H10 + C4H9 <=> C12H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(-2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -18038,18 +12632,11 @@ index = 907, label = "C8H10 + allyl <=> C11H15-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (108800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.3631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(108800,'cm^3/(mol*s)'), n=2.41, Ea=(37.3631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdHH """, ) @@ -18058,18 +12645,11 @@ index = 908, label = "C8H10 + C4H7-2 <=> C12H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9480,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCsH """, ) @@ -18078,18 +12658,11 @@ index = 909, label = "C8H10 + C5H9 <=> C13H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.2586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(32.2586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -18098,18 +12671,11 @@ index = 910, label = "C8H10 + C5H7-3 <=> C13H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.3585, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19100,'cm^3/(mol*s)'), n=2.41, Ea=(56.3585,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCdH """, ) @@ -18118,18 +12684,11 @@ index = 911, label = "C8H10 + C6H9-12 <=> C14H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.6054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6530,'cm^3/(mol*s)'), n=2.41, Ea=(55.6054,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -18138,18 +12697,11 @@ index = 912, label = "C8H10 + C7H7-3 <=> C15H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25200,'cm^3/(mol*s)'), n=2.41, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CbHH """, ) @@ -18158,18 +12710,11 @@ index = 913, label = "C8H10 + C8H9 <=> C16H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.7274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6210,'cm^3/(mol*s)'), n=2.41, Ea=(24.7274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CbCsH """, ) @@ -18178,18 +12723,11 @@ index = 914, label = "C8H10 + C9H11-15 <=> C17H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (993, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(993,'cm^3/(mol*s)'), n=2.41, Ea=(22.4681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -18198,18 +12736,11 @@ index = 915, label = "C3H3 + C8H10 <=> C11H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23300,'cm^3/(mol*s)'), n=2.41, Ea=(26.6102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CtHH """, ) @@ -18218,18 +12749,11 @@ index = 916, label = "C4H5-12 + C8H10 <=> C12H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5260,'cm^3/(mol*s)'), n=2.41, Ea=(24.6438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CtCsH """, ) @@ -18238,18 +12762,11 @@ index = 917, label = "C5H7-5 + C8H10 <=> C13H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.7986, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(21.7986,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -18258,18 +12775,11 @@ index = 918, label = "C2H3 + C8H10 <=> C10H13-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (35300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35300,'cm^3/(mol*s)'), n=2.41, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CdsJ-H """, ) @@ -18278,18 +12788,11 @@ index = 919, label = "C3H5 + C8H10 <=> C11H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18700,'cm^3/(mol*s)'), n=2.41, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CdsJ-Cs """, ) @@ -18298,18 +12801,11 @@ index = 920, label = "C8H10 + C6H5 <=> C14H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (55700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-14.9787, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(55700,'cm^3/(mol*s)'), n=2.41, Ea=(-14.9787,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;CbJ """, ) @@ -18318,18 +12814,11 @@ index = 921, label = "CH3 + C10H10-15 <=> C11H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.8906, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4870,'cm^3/(mol*s)'), n=2.41, Ea=(23.8906,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-HHH """, ) @@ -18338,18 +12827,11 @@ index = 922, label = "C10H10-15 + C2H5 <=> C12H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (494, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(494,'cm^3/(mol*s)'), n=2.41, Ea=(21.5058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CsHH """, ) @@ -18358,18 +12840,11 @@ index = 923, label = "C10H10-15 + C3H7-2 <=> C13H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.5268, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(16.5268,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CsCsH """, ) @@ -18378,18 +12853,11 @@ index = 924, label = "C10H10-15 + C4H9 <=> C14H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5855, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(10.5855,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CsCsCs """, ) @@ -18398,18 +12866,11 @@ index = 925, label = "allyl + C10H10-15 <=> C13H15-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10280,'cm^3/(mol*s)'), n=2.41, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdHH """, ) @@ -18418,18 +12879,11 @@ index = 926, label = "C4H7-2 + C10H10-15 <=> C14H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (895, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(895,'cm^3/(mol*s)'), n=2.41, Ea=(49.2038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCsH """, ) @@ -18438,18 +12892,11 @@ index = 927, label = "C10H10-15 + C5H9 <=> C15H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (116, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(116,'cm^3/(mol*s)'), n=2.41, Ea=(45.1454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCsCs """, ) @@ -18458,18 +12905,11 @@ index = 928, label = "C5H7-3 + C10H10-15 <=> C15H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.2452, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(69.2452,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCdH """, ) @@ -18478,18 +12918,11 @@ index = 929, label = "C10H10-15 + C6H9-12 <=> C16H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.4502, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(68.4502,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CdCdCs """, ) @@ -18498,18 +12931,11 @@ index = 930, label = "C10H10-15 + C7H7-3 <=> C17H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2380,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CbHH """, ) @@ -18518,18 +12944,11 @@ index = 931, label = "C10H10-15 + C8H9 <=> C18H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (586, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(586,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CbCsH """, ) @@ -18538,18 +12957,11 @@ index = 932, label = "C10H10-15 + C9H11-15 <=> C19H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.313, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.7,'cm^3/(mol*s)'), n=2.41, Ea=(35.313,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CbCsCs """, ) @@ -18558,18 +12970,11 @@ index = 933, label = "C3H3 + C10H10-15 <=> C13H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.4551, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2200,'cm^3/(mol*s)'), n=2.41, Ea=(39.4551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CtHH """, ) @@ -18578,18 +12983,11 @@ index = 934, label = "C4H5-12 + C10H10-15 <=> C14H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (496, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.4886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(496,'cm^3/(mol*s)'), n=2.41, Ea=(37.4886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CtCsH """, ) @@ -18598,18 +12996,11 @@ index = 935, label = "C5H7-5 + C10H10-15 <=> C15H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (127, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(127,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CsJ-CtCsCs """, ) @@ -18618,18 +13009,11 @@ index = 936, label = "C2H3 + C10H10-15 <=> C12H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.86592, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3330,'cm^3/(mol*s)'), n=2.41, Ea=(7.86592,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CdsJ-H """, ) @@ -18638,18 +13022,11 @@ index = 937, label = "C3H5 + C10H10-15 <=> C13H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.98728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(6.98728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CdsJ-Cs """, ) @@ -18658,18 +13035,11 @@ index = 938, label = "C10H10-15 + C6H5 <=> C16H15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5260,'cm^3/(mol*s)'), n=2.41, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;CbJ """, ) @@ -18678,18 +13048,11 @@ index = 939, label = "CH3 + C11H12 <=> C12H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.2212, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(23.2212,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-HHH """, ) @@ -18698,18 +13061,11 @@ index = 940, label = "C11H12 + C2H5 <=> C13H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.8363, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1050,'cm^3/(mol*s)'), n=2.41, Ea=(20.8363,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CsHH """, ) @@ -18718,18 +13074,11 @@ index = 941, label = "C11H12 + C3H7-2 <=> C14H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (841, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8574, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(841,'cm^3/(mol*s)'), n=2.41, Ea=(15.8574,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CsCsH """, ) @@ -18738,18 +13087,11 @@ index = 942, label = "C11H12 + C4H9 <=> C15H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (623, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.91608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(623,'cm^3/(mol*s)'), n=2.41, Ea=(9.91608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -18758,18 +13100,11 @@ index = 943, label = "C11H12 + allyl <=> C14H17-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21800,'cm^3/(mol*s)'), n=2.41, Ea=(49.5386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdHH """, ) @@ -18778,18 +13113,11 @@ index = 944, label = "C4H7-2 + C11H12 <=> C15H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCsH """, ) @@ -18798,18 +13126,11 @@ index = 945, label = "C11H12 + C5H9 <=> C16H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (245, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.4759, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(245,'cm^3/(mol*s)'), n=2.41, Ea=(44.4759,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -18818,18 +13139,11 @@ index = 946, label = "C5H7-3 + C11H12 <=> C16H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.5758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3830,'cm^3/(mol*s)'), n=2.41, Ea=(68.5758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCdH """, ) @@ -18838,18 +13152,11 @@ index = 947, label = "C6H9-12 + C11H12 <=> C17H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.7808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(67.7808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -18858,18 +13165,11 @@ index = 948, label = "C11H12 + C7H7-3 <=> C18H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8317, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5050,'cm^3/(mol*s)'), n=2.41, Ea=(39.8317,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CbHH """, ) @@ -18878,18 +13178,11 @@ index = 949, label = "C11H12 + C8H9 <=> C19H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9029, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(36.9029,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CbCsH """, ) @@ -18898,18 +13191,11 @@ index = 950, label = "C11H12 + C9H11-15 <=> C20H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (199, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(199,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -18918,18 +13204,11 @@ index = 951, label = "C3H3 + C11H12 <=> C14H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7857, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4670,'cm^3/(mol*s)'), n=2.41, Ea=(38.7857,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CtHH """, ) @@ -18938,18 +13217,11 @@ index = 952, label = "C4H5-12 + C11H12 <=> C15H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.8192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1050,'cm^3/(mol*s)'), n=2.41, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CtCsH """, ) @@ -18958,18 +13230,11 @@ index = 953, label = "C5H7-5 + C11H12 <=> C16H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (269, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(269,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -18978,18 +13243,11 @@ index = 954, label = "C2H3 + C11H12 <=> C13H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.19648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7060,'cm^3/(mol*s)'), n=2.41, Ea=(7.19648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CdsJ-H """, ) @@ -18998,18 +13256,11 @@ index = 955, label = "C3H5 + C11H12 <=> C14H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.31784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3740,'cm^3/(mol*s)'), n=2.41, Ea=(6.31784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CdsJ-Cs """, ) @@ -19018,18 +13269,11 @@ index = 956, label = "C11H12 + C6H5 <=> C17H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.76144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11200,'cm^3/(mol*s)'), n=2.41, Ea=(-2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;CbJ """, ) @@ -19038,18 +13282,11 @@ index = 957, label = "C6H6-6 + CH3 <=> C7H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19300,'cm^3/(mol*s)'), n=2.41, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-HHH """, ) @@ -19058,18 +13295,11 @@ index = 958, label = "C6H6-6 + C2H5 <=> C8H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1960,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CsHH """, ) @@ -19078,18 +13308,11 @@ index = 959, label = "C6H6-6 + C3H7-2 <=> C9H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.53536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(8.53536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CsCsH """, ) @@ -19098,18 +13321,11 @@ index = 960, label = "C6H6-6 + C4H9 <=> C10H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.59408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(2.59408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CsCsCs """, ) @@ -19118,18 +13334,11 @@ index = 961, label = "C6H6-6 + allyl <=> C9H11-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (40800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2166, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(40800,'cm^3/(mol*s)'), n=2.41, Ea=(42.2166,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdHH """, ) @@ -19138,18 +13347,11 @@ index = 962, label = "C6H6-6 + C4H7-2 <=> C10H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2124, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3550,'cm^3/(mol*s)'), n=2.41, Ea=(41.2124,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCsH """, ) @@ -19158,18 +13360,11 @@ index = 963, label = "C6H6-6 + C5H9 <=> C11H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.1539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(460,'cm^3/(mol*s)'), n=2.41, Ea=(37.1539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCsCs """, ) @@ -19178,18 +13373,11 @@ index = 964, label = "C6H6-6 + C5H7-3 <=> C11H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.2538, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7160,'cm^3/(mol*s)'), n=2.41, Ea=(61.2538,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCdH """, ) @@ -19198,18 +13386,11 @@ index = 965, label = "C6H6-6 + C6H9-12 <=> C12H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.5006, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2450,'cm^3/(mol*s)'), n=2.41, Ea=(60.5006,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CdCdCs """, ) @@ -19218,18 +13399,11 @@ index = 966, label = "C6H6-6 + C7H7-3 <=> C13H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5097, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9460,'cm^3/(mol*s)'), n=2.41, Ea=(32.5097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CbHH """, ) @@ -19238,18 +13412,11 @@ index = 967, label = "C6H6-6 + C8H9 <=> C14H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.5809, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(29.5809,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CbCsH """, ) @@ -19258,18 +13425,11 @@ index = 968, label = "C6H6-6 + C9H11-15 <=> C15H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (372, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(372,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CbCsCs """, ) @@ -19278,18 +13438,11 @@ index = 969, label = "C3H3 + C6H6-6 <=> C9H9-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4637, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8740,'cm^3/(mol*s)'), n=2.41, Ea=(31.4637,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CtHH """, ) @@ -19298,18 +13451,11 @@ index = 970, label = "C4H5-12 + C6H6-6 <=> C10H11-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1970, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1970,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CtCsH """, ) @@ -19318,18 +13464,11 @@ index = 971, label = "C6H6-6 + C5H7-5 <=> C11H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (503, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6521, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(503,'cm^3/(mol*s)'), n=2.41, Ea=(26.6521,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CsJ-CtCsCs """, ) @@ -19338,18 +13477,11 @@ index = 972, label = "C6H6-6 + C2H3 <=> C8H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.12552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13200,'cm^3/(mol*s)'), n=2.41, Ea=(-0.12552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CdsJ-H """, ) @@ -19358,18 +13490,11 @@ index = 973, label = "C6H6-6 + C3H5 <=> C9H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.00416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7010,'cm^3/(mol*s)'), n=2.41, Ea=(-1.00416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CdsJ-Cs """, ) @@ -19378,18 +13503,11 @@ index = 974, label = "C6H6-6 + C6H5 <=> C12H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.0834, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20900,'cm^3/(mol*s)'), n=2.41, Ea=(-10.0834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;CbJ """, ) @@ -19398,18 +13516,11 @@ index = 975, label = "C7H8-16 + CH3 <=> C8H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.5645, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19800,'cm^3/(mol*s)'), n=2.41, Ea=(15.5645,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-HHH """, ) @@ -19418,18 +13529,11 @@ index = 976, label = "C7H8-16 + C2H5 <=> C9H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CsHH """, ) @@ -19438,18 +13542,11 @@ index = 977, label = "C7H8-16 + C3H7-2 <=> C10H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.1588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(8.1588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CsCsH """, ) @@ -19458,18 +13555,11 @@ index = 978, label = "C7H8-16 + C4H9 <=> C11H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -19478,18 +13568,11 @@ index = 979, label = "C7H8-16 + allyl <=> C10H13-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (41800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(41800,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdHH """, ) @@ -19498,18 +13581,11 @@ index = 980, label = "C7H8-16 + C4H7-2 <=> C11H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8777, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3640,'cm^3/(mol*s)'), n=2.41, Ea=(40.8777,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCsH """, ) @@ -19518,18 +13594,11 @@ index = 981, label = "C7H8-16 + C5H9 <=> C12H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7774, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(470,'cm^3/(mol*s)'), n=2.41, Ea=(36.7774,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -19538,18 +13607,11 @@ index = 982, label = "C7H8-16 + C5H7-3 <=> C12H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.8772, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7330,'cm^3/(mol*s)'), n=2.41, Ea=(60.8772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCdH """, ) @@ -19558,18 +13620,11 @@ index = 983, label = "C7H8-16 + C6H9-12 <=> C13H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.1241, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2500,'cm^3/(mol*s)'), n=2.41, Ea=(60.1241,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -19578,18 +13633,11 @@ index = 984, label = "C7H8-16 + C7H7-3 <=> C14H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9680,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CbHH """, ) @@ -19598,18 +13646,11 @@ index = 985, label = "C7H8-16 + C8H9 <=> C15H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.2462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2380,'cm^3/(mol*s)'), n=2.41, Ea=(29.2462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CbCsH """, ) @@ -19618,18 +13659,11 @@ index = 986, label = "C7H8-16 + C9H11-15 <=> C16H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (381, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.9868, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(381,'cm^3/(mol*s)'), n=2.41, Ea=(26.9868,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -19638,18 +13672,11 @@ index = 987, label = "C3H3 + C7H8-16 <=> C10H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8950,'cm^3/(mol*s)'), n=2.41, Ea=(31.129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CtHH """, ) @@ -19658,18 +13685,11 @@ index = 988, label = "C7H8-16 + C4H5-12 <=> C11H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.1625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2020,'cm^3/(mol*s)'), n=2.41, Ea=(29.1625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CtCsH """, ) @@ -19678,18 +13698,11 @@ index = 989, label = "C7H8-16 + C5H7-5 <=> C12H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (515, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.3174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(515,'cm^3/(mol*s)'), n=2.41, Ea=(26.3174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -19698,18 +13711,11 @@ index = 990, label = "C7H8-16 + C2H3 <=> C9H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.46024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13500,'cm^3/(mol*s)'), n=2.41, Ea=(-0.46024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CdsJ-H """, ) @@ -19718,18 +13724,11 @@ index = 991, label = "C7H8-16 + C3H5 <=> C10H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.33888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7180,'cm^3/(mol*s)'), n=2.41, Ea=(-1.33888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CdsJ-Cs """, ) @@ -19738,18 +13737,11 @@ index = 992, label = "C7H8-16 + C6H5 <=> C13H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.46, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(-10.46,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;CbJ """, ) @@ -19758,18 +13750,11 @@ index = 993, label = "CH3 + C5H6-5 <=> C6H9-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.9239, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14300,'cm^3/(mol*s)'), n=2.41, Ea=(31.9239,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-HHH """, ) @@ -19778,18 +13763,11 @@ index = 994, label = "C5H6-5 + C2H5 <=> C7H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1450,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CsHH """, ) @@ -19798,18 +13776,11 @@ index = 995, label = "C5H6-5 + C3H7-2 <=> C8H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.5601, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(24.5601,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CsCsH """, ) @@ -19818,18 +13789,11 @@ index = 996, label = "C5H6-5 + C4H9 <=> C9H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (862, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(862,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CsCsCs """, ) @@ -19838,18 +13802,11 @@ index = 997, label = "C5H6-5 + allyl <=> C8H11-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.2413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30200,'cm^3/(mol*s)'), n=2.41, Ea=(58.2413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdHH """, ) @@ -19858,18 +13815,11 @@ index = 998, label = "C5H6-5 + C4H7-2 <=> C9H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.2371, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(57.2371,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCsH """, ) @@ -19878,18 +13828,11 @@ index = 999, label = "C5H6-5 + C5H9 <=> C10H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (339, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.1786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(339,'cm^3/(mol*s)'), n=2.41, Ea=(53.1786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCsCs """, ) @@ -19898,18 +13841,11 @@ index = 1000, label = "C5H6-5 + C5H7-3 <=> C10H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.2366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5290,'cm^3/(mol*s)'), n=2.41, Ea=(77.2366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCdH """, ) @@ -19918,18 +13854,11 @@ index = 1001, label = "C5H6-5 + C6H9-12 <=> C11H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.4835, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(76.4835,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CdCdCs """, ) @@ -19938,18 +13867,11 @@ index = 1002, label = "C5H6-5 + C7H7-3 <=> C12H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6990,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CbHH """, ) @@ -19958,18 +13880,11 @@ index = 1003, label = "C5H6-5 + C8H9 <=> C13H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CbCsH """, ) @@ -19978,18 +13893,11 @@ index = 1004, label = "C5H6-5 + C9H11-15 <=> C14H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (275, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(275,'cm^3/(mol*s)'), n=2.41, Ea=(43.3462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CbCsCs """, ) @@ -19998,18 +13906,11 @@ index = 1005, label = "C3H3 + C5H6-5 <=> C8H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4884, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6460,'cm^3/(mol*s)'), n=2.41, Ea=(47.4884,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CtHH """, ) @@ -20018,18 +13919,11 @@ index = 1006, label = "C4H5-12 + C5H6-5 <=> C9H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5219, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1460,'cm^3/(mol*s)'), n=2.41, Ea=(45.5219,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CtCsH """, ) @@ -20038,18 +13932,11 @@ index = 1007, label = "C5H7-5 + C5H6-5 <=> C10H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (372, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.6768, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(372,'cm^3/(mol*s)'), n=2.41, Ea=(42.6768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CsJ-CtCsCs """, ) @@ -20058,18 +13945,11 @@ index = 1008, label = "C2H3 + C5H6-5 <=> C7H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9770,'cm^3/(mol*s)'), n=2.41, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CdsJ-H """, ) @@ -20078,18 +13958,11 @@ index = 1009, label = "C5H6-5 + C3H5 <=> C8H11-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(15.0206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CdsJ-Cs """, ) @@ -20098,18 +13971,11 @@ index = 1010, label = "C5H6-5 + C6H5 <=> C11H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.94128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15400,'cm^3/(mol*s)'), n=2.41, Ea=(5.94128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;CbJ """, ) @@ -20118,18 +13984,11 @@ index = 1011, label = "CH3 + C5H8-5 <=> C6H11-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0159, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(34.0159,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-HHH """, ) @@ -20138,18 +13997,11 @@ index = 1012, label = "C5H8-5 + C2H5 <=> C7H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (674, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(674,'cm^3/(mol*s)'), n=2.41, Ea=(31.631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CsHH """, ) @@ -20158,18 +14010,11 @@ index = 1013, label = "C5H8-5 + C3H7-2 <=> C8H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (541, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.6102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(541,'cm^3/(mol*s)'), n=2.41, Ea=(26.6102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CsCsH """, ) @@ -20178,18 +14023,11 @@ index = 1014, label = "C5H8-5 + C4H9 <=> C9H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(400,'cm^3/(mol*s)'), n=2.41, Ea=(20.7108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CsCsCs """, ) @@ -20198,18 +14036,11 @@ index = 1015, label = "allyl + C5H8-5 <=> C8H13-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3333, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(60.3333,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdHH """, ) @@ -20218,18 +14049,11 @@ index = 1016, label = "C5H8-5 + C4H7-2 <=> C9H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.3291, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(59.3291,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCsH """, ) @@ -20238,18 +14062,11 @@ index = 1017, label = "C5H9 + C5H8-5 <=> C10H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (158, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.2288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(158,'cm^3/(mol*s)'), n=2.41, Ea=(55.2288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCsCs """, ) @@ -20258,18 +14075,11 @@ index = 1018, label = "C5H7-3 + C5H8-5 <=> C10H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.3286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2460,'cm^3/(mol*s)'), n=2.41, Ea=(79.3286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCdH """, ) @@ -20278,18 +14088,11 @@ index = 1019, label = "C6H9-12 + C5H8-5 <=> C11H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.5755, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(840,'cm^3/(mol*s)'), n=2.41, Ea=(78.5755,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CdCdCs """, ) @@ -20298,18 +14101,11 @@ index = 1020, label = "C5H8-5 + C7H7-3 <=> C12H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.5846, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3250,'cm^3/(mol*s)'), n=2.41, Ea=(50.5846,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CbHH """, ) @@ -20318,18 +14114,11 @@ index = 1021, label = "C5H8-5 + C8H9 <=> C13H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (799, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6558, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(799,'cm^3/(mol*s)'), n=2.41, Ea=(47.6558,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CbCsH """, ) @@ -20338,18 +14127,11 @@ index = 1022, label = "C5H8-5 + C9H11-15 <=> C14H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.4382, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=2.41, Ea=(45.4382,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CbCsCs """, ) @@ -20358,18 +14140,11 @@ index = 1023, label = "C3H3 + C5H8-5 <=> C8H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3000,'cm^3/(mol*s)'), n=2.41, Ea=(49.5386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CtHH """, ) @@ -20378,18 +14153,11 @@ index = 1024, label = "C4H5-12 + C5H8-5 <=> C9H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (677, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6139, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(677,'cm^3/(mol*s)'), n=2.41, Ea=(47.6139,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CtCsH """, ) @@ -20398,18 +14166,11 @@ index = 1025, label = "C5H7-5 + C5H8-5 <=> C10H15-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (173, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(173,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CsJ-CtCsCs """, ) @@ -20418,18 +14179,11 @@ index = 1026, label = "C2H3 + C5H8-5 <=> C7H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4540,'cm^3/(mol*s)'), n=2.41, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CdsJ-H """, ) @@ -20438,18 +14192,11 @@ index = 1027, label = "C3H5 + C5H8-5 <=> C8H13-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2410,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CdsJ-Cs """, ) @@ -20458,18 +14205,11 @@ index = 1028, label = "C5H8-5 + C6H5 <=> C11H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.99144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7170,'cm^3/(mol*s)'), n=2.41, Ea=(7.99144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;CbJ """, ) @@ -20478,18 +14218,11 @@ index = 1029, label = "CH3 + C6H10-4 <=> C7H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6660,'cm^3/(mol*s)'), n=2.41, Ea=(32.677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-HHH """, ) @@ -20498,18 +14231,11 @@ index = 1030, label = "C6H10-4 + C2H5 <=> C8H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (677, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(677,'cm^3/(mol*s)'), n=2.41, Ea=(30.2922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CsHH """, ) @@ -20518,18 +14244,11 @@ index = 1031, label = "C6H10-4 + C3H7-2 <=> C9H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (543, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.3132, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(543,'cm^3/(mol*s)'), n=2.41, Ea=(25.3132,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CsCsH """, ) @@ -20538,18 +14257,11 @@ index = 1032, label = "C6H10-4 + C4H9 <=> C10H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (402, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(402,'cm^3/(mol*s)'), n=2.41, Ea=(19.3719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -20558,18 +14270,11 @@ index = 1033, label = "C6H10-4 + allyl <=> C9H15-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.9944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14060,'cm^3/(mol*s)'), n=2.41, Ea=(58.9944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdHH """, ) @@ -20578,18 +14283,11 @@ index = 1034, label = "C6H10-4 + C4H7-2 <=> C10H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.9902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(57.9902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCsH """, ) @@ -20598,18 +14296,11 @@ index = 1035, label = "C5H9 + C6H10-4 <=> C11H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (158, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.9318, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(158,'cm^3/(mol*s)'), n=2.41, Ea=(53.9318,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -20618,18 +14309,11 @@ index = 1036, label = "C5H7-3 + C6H10-4 <=> C11H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.0316, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(78.0316,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCdH """, ) @@ -20638,18 +14322,11 @@ index = 1037, label = "C6H9-12 + C6H10-4 <=> C12H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (843, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.2785, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(843,'cm^3/(mol*s)'), n=2.41, Ea=(77.2785,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -20658,18 +14335,11 @@ index = 1038, label = "C6H10-4 + C7H7-3 <=> C13H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2875, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3260,'cm^3/(mol*s)'), n=2.41, Ea=(49.2875,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CbHH """, ) @@ -20678,18 +14348,11 @@ index = 1039, label = "C6H10-4 + C8H9 <=> C14H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (802, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3587, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(802,'cm^3/(mol*s)'), n=2.41, Ea=(46.3587,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CbCsH """, ) @@ -20698,18 +14361,11 @@ index = 1040, label = "C6H10-4 + C9H11-15 <=> C15H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.0994, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=2.41, Ea=(44.0994,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -20718,18 +14374,11 @@ index = 1041, label = "C3H3 + C6H10-4 <=> C9H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.2415, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3010,'cm^3/(mol*s)'), n=2.41, Ea=(48.2415,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CtHH """, ) @@ -20738,18 +14387,11 @@ index = 1042, label = "C4H5-12 + C6H10-4 <=> C10H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(680,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CtCsH """, ) @@ -20758,18 +14400,11 @@ index = 1043, label = "C5H7-5 + C6H10-4 <=> C11H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (173, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(173,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -20778,18 +14413,11 @@ index = 1044, label = "C2H3 + C6H10-4 <=> C8H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.6523, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(16.6523,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CdsJ-H """, ) @@ -20798,18 +14426,11 @@ index = 1045, label = "C3H5 + C6H10-4 <=> C9H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2420,'cm^3/(mol*s)'), n=2.41, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CdsJ-Cs """, ) @@ -20818,18 +14439,11 @@ index = 1046, label = "C6H10-4 + C6H5 <=> C12H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7200,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;CbJ """, ) @@ -20838,18 +14452,11 @@ index = 1047, label = "CH3 + C7H12-2 <=> C8H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0871, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8380,'cm^3/(mol*s)'), n=2.41, Ea=(31.0871,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-HHH """, ) @@ -20858,18 +14465,11 @@ index = 1048, label = "C7H12-2 + C2H5 <=> C9H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (851, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7022, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(851,'cm^3/(mol*s)'), n=2.41, Ea=(28.7022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CsHH """, ) @@ -20878,18 +14478,11 @@ index = 1049, label = "C7H12-2 + C3H7-2 <=> C10H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (683, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.6814, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(683,'cm^3/(mol*s)'), n=2.41, Ea=(23.6814,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -20898,18 +14491,11 @@ index = 1050, label = "C7H12-2 + C4H9 <=> C11H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (506, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(506,'cm^3/(mol*s)'), n=2.41, Ea=(17.782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -20918,18 +14504,11 @@ index = 1051, label = "allyl + C7H12-2 <=> C10H17-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.4045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(57.4045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdHH """, ) @@ -20938,18 +14517,11 @@ index = 1052, label = "C7H12-2 + C4H7-2 <=> C11H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.4003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1540,'cm^3/(mol*s)'), n=2.41, Ea=(56.4003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -20958,18 +14530,11 @@ index = 1053, label = "C7H12-2 + C5H9 <=> C12H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (199, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3418, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(199,'cm^3/(mol*s)'), n=2.41, Ea=(52.3418,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -20978,18 +14543,11 @@ index = 1054, label = "C7H12-2 + C5H7-3 <=> C12H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.3998, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(76.3998,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -20998,18 +14556,11 @@ index = 1055, label = "C6H9-12 + C7H12-2 <=> C13H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.6467, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(75.6467,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -21018,18 +14569,11 @@ index = 1056, label = "C7H12-2 + C7H7-3 <=> C14H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.6558, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4100,'cm^3/(mol*s)'), n=2.41, Ea=(47.6558,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CbHH """, ) @@ -21038,18 +14582,11 @@ index = 1057, label = "C7H12-2 + C8H9 <=> C15H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -21058,18 +14595,11 @@ index = 1058, label = "C7H12-2 + C9H11-15 <=> C16H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (161, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(161,'cm^3/(mol*s)'), n=2.41, Ea=(42.5094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -21078,18 +14608,11 @@ index = 1059, label = "C3H3 + C7H12-2 <=> C10H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6516, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3790,'cm^3/(mol*s)'), n=2.41, Ea=(46.6516,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CtHH """, ) @@ -21098,18 +14621,11 @@ index = 1060, label = "C4H5-12 + C7H12-2 <=> C11H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (855, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.6851, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(855,'cm^3/(mol*s)'), n=2.41, Ea=(44.6851,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -21118,18 +14634,11 @@ index = 1061, label = "C5H7-5 + C7H12-2 <=> C12H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (218, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.84, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(218,'cm^3/(mol*s)'), n=2.41, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -21138,18 +14647,11 @@ index = 1062, label = "C2H3 + C7H12-2 <=> C9H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5730,'cm^3/(mol*s)'), n=2.41, Ea=(15.0624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CdsJ-H """, ) @@ -21158,18 +14660,11 @@ index = 1063, label = "C3H5 + C7H12-2 <=> C10H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3040,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CdsJ-Cs """, ) @@ -21178,18 +14673,11 @@ index = 1064, label = "C7H12-2 + C6H5 <=> C13H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9060,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;CbJ """, ) @@ -21198,18 +14686,11 @@ index = 1065, label = "CH3 + C7H10-6 <=> C8H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7480,'cm^3/(mol*s)'), n=2.41, Ea=(21.0037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-HHH """, ) @@ -21218,18 +14699,11 @@ index = 1066, label = "C7H10-6 + C2H5 <=> C9H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(760,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CsHH """, ) @@ -21238,18 +14712,11 @@ index = 1067, label = "C7H10-6 + C3H7-2 <=> C10H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.6398, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(610,'cm^3/(mol*s)'), n=2.41, Ea=(13.6398,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CsCsH """, ) @@ -21258,18 +14725,11 @@ index = 1068, label = "C7H10-6 + C4H9 <=> C11H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (451, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.69856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(451,'cm^3/(mol*s)'), n=2.41, Ea=(7.69856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -21278,18 +14738,11 @@ index = 1069, label = "allyl + C7H10-6 <=> C10H15-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.321, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(47.321,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdHH """, ) @@ -21298,18 +14751,11 @@ index = 1070, label = "C4H7-2 + C7H10-6 <=> C11H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1380,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCsH """, ) @@ -21318,18 +14764,11 @@ index = 1071, label = "C5H9 + C7H10-6 <=> C12H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (178, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(178,'cm^3/(mol*s)'), n=2.41, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -21338,18 +14777,11 @@ index = 1072, label = "C7H10-6 + C5H7-3 <=> C12H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.3164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2770,'cm^3/(mol*s)'), n=2.41, Ea=(66.3164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCdH """, ) @@ -21358,18 +14790,11 @@ index = 1073, label = "C6H9-12 + C7H10-6 <=> C13H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (947, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.5633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(947,'cm^3/(mol*s)'), n=2.41, Ea=(65.5633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -21378,18 +14803,11 @@ index = 1074, label = "C7H10-6 + C7H7-3 <=> C14H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3660,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CbHH """, ) @@ -21398,18 +14816,11 @@ index = 1075, label = "C7H10-6 + C8H9 <=> C15H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6854, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(900,'cm^3/(mol*s)'), n=2.41, Ea=(34.6854,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CbCsH """, ) @@ -21418,18 +14829,11 @@ index = 1076, label = "C7H10-6 + C9H11-15 <=> C16H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (144, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(144,'cm^3/(mol*s)'), n=2.41, Ea=(32.426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -21438,18 +14842,11 @@ index = 1077, label = "C3H3 + C7H10-6 <=> C10H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3380,'cm^3/(mol*s)'), n=2.41, Ea=(36.5682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CtHH """, ) @@ -21458,18 +14855,11 @@ index = 1078, label = "C4H5-12 + C7H10-6 <=> C11H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (763, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6017, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(763,'cm^3/(mol*s)'), n=2.41, Ea=(34.6017,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CtCsH """, ) @@ -21478,18 +14868,11 @@ index = 1079, label = "C5H7-5 + C7H10-6 <=> C12H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (195, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(195,'cm^3/(mol*s)'), n=2.41, Ea=(31.7566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -21498,18 +14881,11 @@ index = 1080, label = "C2H3 + C7H10-6 <=> C9H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5120,'cm^3/(mol*s)'), n=2.41, Ea=(4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CdsJ-H """, ) @@ -21518,18 +14894,11 @@ index = 1081, label = "C3H5 + C7H10-6 <=> C10H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.10032, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2710,'cm^3/(mol*s)'), n=2.41, Ea=(4.10032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CdsJ-Cs """, ) @@ -21538,18 +14907,11 @@ index = 1082, label = "C7H10-6 + C6H5 <=> C13H15-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8090,'cm^3/(mol*s)'), n=2.41, Ea=(-4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;CbJ """, ) @@ -21558,18 +14920,11 @@ index = 1083, label = "CH3 + C8H12-2 <=> C9H15-42", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.2464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16980,'cm^3/(mol*s)'), n=2.41, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-HHH """, ) @@ -21578,18 +14933,11 @@ index = 1084, label = "C8H12-2 + C2H5 <=> C10H17-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1724, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1724,'cm^3/(mol*s)'), n=2.41, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CsHH """, ) @@ -21598,18 +14946,11 @@ index = 1085, label = "C8H12-2 + C3H7-2 <=> C11H19-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1384, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1384,'cm^3/(mol*s)'), n=2.41, Ea=(11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -21618,18 +14959,11 @@ index = 1086, label = "C8H12-2 + C4H9 <=> C12H21-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1024, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.94128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1024,'cm^3/(mol*s)'), n=2.41, Ea=(5.94128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -21638,18 +14972,11 @@ index = 1087, label = "allyl + C8H12-2 <=> C11H17-28", degeneracy = 4.0, - kinetics = Arrhenius( - A = (35840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5638, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35840,'cm^3/(mol*s)'), n=2.41, Ea=(45.5638,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdHH """, ) @@ -21658,18 +14985,11 @@ index = 1088, label = "C8H12-2 + C4H7-2 <=> C12H19-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.5596, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3120,'cm^3/(mol*s)'), n=2.41, Ea=(44.5596,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -21678,18 +14998,11 @@ index = 1089, label = "C8H12-2 + C5H9 <=> C13H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (404, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(404,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -21698,18 +15011,11 @@ index = 1090, label = "C5H7-3 + C8H12-2 <=> C13H19-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.601, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6300,'cm^3/(mol*s)'), n=2.41, Ea=(64.601,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -21718,18 +15024,11 @@ index = 1091, label = "C6H9-12 + C8H12-2 <=> C14H21-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(63.806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -21738,18 +15037,11 @@ index = 1092, label = "C8H12-2 + C7H7-3 <=> C15H19-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8320,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CbHH """, ) @@ -21758,18 +15050,11 @@ index = 1093, label = "C8H12-2 + C8H9 <=> C16H21-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9281, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2040,'cm^3/(mol*s)'), n=2.41, Ea=(32.9281,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -21778,18 +15063,11 @@ index = 1094, label = "C8H12-2 + C9H11-15 <=> C17H23-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (328, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.6687, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(328,'cm^3/(mol*s)'), n=2.41, Ea=(30.6687,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -21798,18 +15076,11 @@ index = 1095, label = "C3H3 + C8H12-2 <=> C11H15-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8109, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7680,'cm^3/(mol*s)'), n=2.41, Ea=(34.8109,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CtHH """, ) @@ -21818,18 +15089,11 @@ index = 1096, label = "C4H5-12 + C8H12-2 <=> C12H17-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1732, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.8444, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1732,'cm^3/(mol*s)'), n=2.41, Ea=(32.8444,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -21838,18 +15102,11 @@ index = 1097, label = "C5H7-5 + C8H12-2 <=> C13H19-20", degeneracy = 2.0, - kinetics = Arrhenius( - A = (442, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.9993, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(442,'cm^3/(mol*s)'), n=2.41, Ea=(29.9993,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -21858,18 +15115,11 @@ index = 1098, label = "C2H3 + C8H12-2 <=> C10H15-39", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.22168, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11620,'cm^3/(mol*s)'), n=2.41, Ea=(3.22168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CdsJ-H """, ) @@ -21878,18 +15128,11 @@ index = 1099, label = "C3H5 + C8H12-2 <=> C11H17-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6160,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CdsJ-Cs """, ) @@ -21898,18 +15141,11 @@ index = 1100, label = "C8H12-2 + C6H5 <=> C14H17-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.73624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18360,'cm^3/(mol*s)'), n=2.41, Ea=(-6.73624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;CbJ """, ) @@ -21918,18 +15154,11 @@ index = 1101, label = "CH3 + C9H12 <=> C10H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.4808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25900,'cm^3/(mol*s)'), n=2.41, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-HHH """, ) @@ -21938,18 +15167,11 @@ index = 1102, label = "C9H12 + C2H5 <=> C11H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.0959, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(13.0959,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CsHH """, ) @@ -21958,18 +15180,11 @@ index = 1103, label = "C9H12 + C3H7-2 <=> C12H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2110,'cm^3/(mol*s)'), n=2.41, Ea=(8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -21978,18 +15193,11 @@ index = 1104, label = "C9H12 + C4H9 <=> C13H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1560,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -21998,18 +15206,11 @@ index = 1105, label = "C9H12 + allyl <=> C12H17-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (54600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.7982, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(54600,'cm^3/(mol*s)'), n=2.41, Ea=(41.7982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdHH """, ) @@ -22018,18 +15219,11 @@ index = 1106, label = "C9H12 + C4H7-2 <=> C13H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4760,'cm^3/(mol*s)'), n=2.41, Ea=(40.794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -22038,18 +15232,11 @@ index = 1107, label = "C9H12 + C5H9 <=> C14H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (615, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(615,'cm^3/(mol*s)'), n=2.41, Ea=(36.7355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -22058,18 +15245,11 @@ index = 1108, label = "C9H12 + C5H7-3 <=> C14H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7935, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9590,'cm^3/(mol*s)'), n=2.41, Ea=(60.7935,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -22078,18 +15258,11 @@ index = 1109, label = "C9H12 + C6H9-12 <=> C15H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.0404, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3270,'cm^3/(mol*s)'), n=2.41, Ea=(60.0404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -22098,18 +15271,11 @@ index = 1110, label = "C9H12 + C7H7-3 <=> C16H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12700,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CbHH """, ) @@ -22118,18 +15284,11 @@ index = 1111, label = "C9H12 + C8H9 <=> C17H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.1625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3110,'cm^3/(mol*s)'), n=2.41, Ea=(29.1625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -22138,18 +15297,11 @@ index = 1112, label = "C9H12 + C9H11-15 <=> C18H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (498, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.9031, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(498,'cm^3/(mol*s)'), n=2.41, Ea=(26.9031,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -22158,18 +15310,11 @@ index = 1113, label = "C3H3 + C9H12 <=> C12H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0453, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11700,'cm^3/(mol*s)'), n=2.41, Ea=(31.0453,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CtHH """, ) @@ -22178,18 +15323,11 @@ index = 1114, label = "C4H5-12 + C9H12 <=> C13H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.0788, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2640,'cm^3/(mol*s)'), n=2.41, Ea=(29.0788,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -22198,18 +15336,11 @@ index = 1115, label = "C5H7-5 + C9H12 <=> C14H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (673, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.2337, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(673,'cm^3/(mol*s)'), n=2.41, Ea=(26.2337,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -22218,18 +15349,11 @@ index = 1116, label = "C2H3 + C9H12 <=> C11H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(-0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CdsJ-H """, ) @@ -22238,18 +15362,11 @@ index = 1117, label = "C3H5 + C9H12 <=> C12H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9390,'cm^3/(mol*s)'), n=2.41, Ea=(-1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CdsJ-Cs """, ) @@ -22258,18 +15375,11 @@ index = 1118, label = "C9H12 + C6H5 <=> C15H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.5437, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.41, Ea=(-10.5437,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;CbJ """, ) @@ -22278,18 +15388,11 @@ index = 1119, label = "CH3 + C11H12-2 <=> C12H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3257, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(28.3257,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-HHH """, ) @@ -22298,18 +15401,11 @@ index = 1120, label = "C11H12-2 + C2H5 <=> C13H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (248, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(248,'cm^3/(mol*s)'), n=2.41, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CsHH """, ) @@ -22318,18 +15414,11 @@ index = 1121, label = "C11H12-2 + C3H7-2 <=> C14H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (199, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(199,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CsCsH """, ) @@ -22338,18 +15427,11 @@ index = 1122, label = "C11H12-2 + C4H9 <=> C15H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (147, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(147,'cm^3/(mol*s)'), n=2.41, Ea=(15.0206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -22358,18 +15440,11 @@ index = 1123, label = "C11H12-2 + allyl <=> C14H17-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5160,'cm^3/(mol*s)'), n=2.41, Ea=(54.643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdHH """, ) @@ -22378,18 +15453,11 @@ index = 1124, label = "C11H12-2 + C4H7-2 <=> C15H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (449, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(449,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCsH """, ) @@ -22398,18 +15466,11 @@ index = 1125, label = "C11H12-2 + C5H9 <=> C16H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (58.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5804, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(58.1,'cm^3/(mol*s)'), n=2.41, Ea=(49.5804,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -22418,18 +15479,11 @@ index = 1126, label = "C5H7-3 + C11H12-2 <=> C16H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (905, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.6802, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(905,'cm^3/(mol*s)'), n=2.41, Ea=(73.6802,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCdH """, ) @@ -22438,18 +15492,11 @@ index = 1127, label = "C6H9-12 + C11H12-2 <=> C17H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (309, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.9271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(309,'cm^3/(mol*s)'), n=2.41, Ea=(72.9271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -22458,18 +15505,11 @@ index = 1128, label = "C11H12-2 + C7H7-3 <=> C18H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1200,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CbHH """, ) @@ -22478,18 +15518,11 @@ index = 1129, label = "C11H12-2 + C8H9 <=> C19H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(42.0074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CbCsH """, ) @@ -22498,18 +15531,11 @@ index = 1130, label = "C11H12-2 + C9H11-15 <=> C20H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (47, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(47,'cm^3/(mol*s)'), n=2.41, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -22518,18 +15544,11 @@ index = 1131, label = "C3H3 + C11H12-2 <=> C14H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CtHH """, ) @@ -22538,18 +15557,11 @@ index = 1132, label = "C4H5-12 + C11H12-2 <=> C15H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (249, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(249,'cm^3/(mol*s)'), n=2.41, Ea=(41.9655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CtCsH """, ) @@ -22558,18 +15570,11 @@ index = 1133, label = "C5H7-5 + C11H12-2 <=> C16H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (63.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.0786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(63.5,'cm^3/(mol*s)'), n=2.41, Ea=(39.0786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -22578,18 +15583,11 @@ index = 1134, label = "C2H3 + C11H12-2 <=> C13H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(12.301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CdsJ-H """, ) @@ -22598,18 +15596,11 @@ index = 1135, label = "C3H5 + C11H12-2 <=> C14H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (886, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(886,'cm^3/(mol*s)'), n=2.41, Ea=(11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CdsJ-Cs """, ) @@ -22618,18 +15609,11 @@ index = 1136, label = "C11H12-2 + C6H5 <=> C17H17-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2640,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;CbJ """, ) @@ -22638,18 +15622,11 @@ index = 1137, label = "CH3 + C12H14 <=> C13H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6562, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(27.6562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-HHH """, ) @@ -22658,18 +15635,11 @@ index = 1138, label = "C12H14 + C2H5 <=> C14H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (526, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.2714, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(526,'cm^3/(mol*s)'), n=2.41, Ea=(25.2714,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CsHH """, ) @@ -22678,18 +15648,11 @@ index = 1139, label = "C12H14 + C3H7-2 <=> C15H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -22698,18 +15661,11 @@ index = 1140, label = "C12H14 + C4H9 <=> C16H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (313, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.3511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(313,'cm^3/(mol*s)'), n=2.41, Ea=(14.3511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -22718,18 +15674,11 @@ index = 1141, label = "C12H14 + allyl <=> C15H19-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.9736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10940,'cm^3/(mol*s)'), n=2.41, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdHH """, ) @@ -22738,18 +15687,11 @@ index = 1142, label = "C12H14 + C4H7-2 <=> C16H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (952, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.9694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(952,'cm^3/(mol*s)'), n=2.41, Ea=(52.9694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -22758,18 +15700,11 @@ index = 1143, label = "C12H14 + C5H9 <=> C17H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.911, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123,'cm^3/(mol*s)'), n=2.41, Ea=(48.911,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -22778,18 +15713,11 @@ index = 1144, label = "C12H14 + C5H7-3 <=> C17H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.0108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1920,'cm^3/(mol*s)'), n=2.41, Ea=(73.0108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -22798,18 +15726,11 @@ index = 1145, label = "C6H9-12 + C12H14 <=> C18H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (655, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.2577, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(655,'cm^3/(mol*s)'), n=2.41, Ea=(72.2577,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -22818,18 +15739,11 @@ index = 1146, label = "C12H14 + C7H7-3 <=> C19H21-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.2667, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(44.2667,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CbHH """, ) @@ -22838,18 +15752,11 @@ index = 1147, label = "C12H14 + C8H9 <=> C20H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (623, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.3379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(623,'cm^3/(mol*s)'), n=2.41, Ea=(41.3379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -22858,18 +15765,11 @@ index = 1148, label = "C12H14 + C9H11-15 <=> C21H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (99.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.0786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(99.7,'cm^3/(mol*s)'), n=2.41, Ea=(39.0786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -22878,18 +15778,11 @@ index = 1149, label = "C3H3 + C12H14 <=> C15H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2340,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CtHH """, ) @@ -22898,18 +15791,11 @@ index = 1150, label = "C4H5-12 + C12H14 <=> C16H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (528, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2961, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(528,'cm^3/(mol*s)'), n=2.41, Ea=(41.2961,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -22918,18 +15804,11 @@ index = 1151, label = "C5H7-5 + C12H14 <=> C17H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4091, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(38.4091,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -22938,18 +15817,11 @@ index = 1152, label = "C2H3 + C12H14 <=> C14H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.6315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3540,'cm^3/(mol*s)'), n=2.41, Ea=(11.6315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CdsJ-H """, ) @@ -22958,18 +15830,11 @@ index = 1153, label = "C3H5 + C12H14 <=> C15H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7529, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1880,'cm^3/(mol*s)'), n=2.41, Ea=(10.7529,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CdsJ-Cs """, ) @@ -22978,18 +15843,11 @@ index = 1154, label = "C12H14 + C6H5 <=> C18H19-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.6736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5600,'cm^3/(mol*s)'), n=2.41, Ea=(1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;CbJ """, ) @@ -22998,18 +15856,11 @@ index = 1155, label = "C7H8-17 + CH3 <=> C8H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9700,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-HHH """, ) @@ -23018,18 +15869,11 @@ index = 1156, label = "C7H8-17 + C2H5 <=> C9H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (985, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(985,'cm^3/(mol*s)'), n=2.41, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CsHH """, ) @@ -23038,18 +15882,11 @@ index = 1157, label = "C7H8-17 + C3H7-2 <=> C10H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.9704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(790,'cm^3/(mol*s)'), n=2.41, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CsCsH """, ) @@ -23058,18 +15895,11 @@ index = 1158, label = "C7H8-17 + C4H9 <=> C11H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (585, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.07096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(585,'cm^3/(mol*s)'), n=2.41, Ea=(7.07096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -23078,18 +15908,11 @@ index = 1159, label = "C7H8-17 + allyl <=> C10H13-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6516, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20400,'cm^3/(mol*s)'), n=2.41, Ea=(46.6516,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdHH """, ) @@ -23098,18 +15921,11 @@ index = 1160, label = "C7H8-17 + C4H7-2 <=> C11H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6474, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(45.6474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCsH """, ) @@ -23118,18 +15934,11 @@ index = 1161, label = "C7H8-17 + C5H9 <=> C12H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (231, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(231,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -23138,18 +15947,11 @@ index = 1162, label = "C7H8-17 + C5H7-3 <=> C12H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.6888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3590,'cm^3/(mol*s)'), n=2.41, Ea=(65.6888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCdH """, ) @@ -23158,18 +15960,11 @@ index = 1163, label = "C7H8-17 + C6H9-12 <=> C13H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.9357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(64.9357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -23178,18 +15973,11 @@ index = 1164, label = "C7H8-17 + C7H7-3 <=> C14H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4750,'cm^3/(mol*s)'), n=2.41, Ea=(36.9447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CbHH """, ) @@ -23198,18 +15986,11 @@ index = 1165, label = "C7H8-17 + C8H9 <=> C15H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0159, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(34.0159,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CbCsH """, ) @@ -23218,18 +15999,11 @@ index = 1166, label = "C7H8-17 + C9H11-15 <=> C16H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (187, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(187,'cm^3/(mol*s)'), n=2.41, Ea=(31.7566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -23238,18 +16012,11 @@ index = 1167, label = "C3H3 + C7H8-17 <=> C10H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8987, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4390,'cm^3/(mol*s)'), n=2.41, Ea=(35.8987,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CtHH """, ) @@ -23258,18 +16025,11 @@ index = 1168, label = "C7H8-17 + C4H5-12 <=> C11H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (989, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(989,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CtCsH """, ) @@ -23278,18 +16038,11 @@ index = 1169, label = "C5H7-5 + C7H8-17 <=> C12H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (252, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(252,'cm^3/(mol*s)'), n=2.41, Ea=(31.129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -23298,18 +16051,11 @@ index = 1170, label = "C7H8-17 + C2H3 <=> C9H11-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.35136, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6640,'cm^3/(mol*s)'), n=2.41, Ea=(4.35136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CdsJ-H """, ) @@ -23318,18 +16064,11 @@ index = 1171, label = "C7H8-17 + C3H5 <=> C10H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.43088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3520,'cm^3/(mol*s)'), n=2.41, Ea=(3.43088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CdsJ-Cs """, ) @@ -23338,18 +16077,11 @@ index = 1172, label = "C7H8-17 + C6H5 <=> C13H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.6484, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10500,'cm^3/(mol*s)'), n=2.41, Ea=(-5.6484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;CbJ """, ) @@ -23358,18 +16090,11 @@ index = 1173, label = "C8H10-2 + CH3 <=> C9H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9930,'cm^3/(mol*s)'), n=2.41, Ea=(19.9995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-HHH """, ) @@ -23378,18 +16103,11 @@ index = 1174, label = "C8H10-2 + C2H5 <=> C10H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6146, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(17.6146,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CsHH """, ) @@ -23398,18 +16116,11 @@ index = 1175, label = "C8H10-2 + C3H7-2 <=> C11H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (809, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(809,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -23418,18 +16129,11 @@ index = 1176, label = "C8H10-2 + C4H9 <=> C12H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (599, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(599,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -23438,18 +16142,11 @@ index = 1177, label = "C8H10-2 + allyl <=> C11H15-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.3169, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(46.3169,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdHH """, ) @@ -23458,18 +16155,11 @@ index = 1178, label = "C8H10-2 + C4H7-2 <=> C12H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3127, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1820,'cm^3/(mol*s)'), n=2.41, Ea=(45.3127,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -23478,18 +16168,11 @@ index = 1179, label = "C8H10-2 + C5H9 <=> C13H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (236, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.2542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(236,'cm^3/(mol*s)'), n=2.41, Ea=(41.2542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -23498,18 +16181,11 @@ index = 1180, label = "C8H10-2 + C5H7-3 <=> C13H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.3122, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3680,'cm^3/(mol*s)'), n=2.41, Ea=(65.3122,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -23518,18 +16194,11 @@ index = 1181, label = "C8H10-2 + C6H9-12 <=> C14H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.5591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1260,'cm^3/(mol*s)'), n=2.41, Ea=(64.5591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -23538,18 +16207,11 @@ index = 1182, label = "C8H10-2 + C7H7-3 <=> C15H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(36.5682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CbHH """, ) @@ -23558,18 +16220,11 @@ index = 1183, label = "C8H10-2 + C8H9 <=> C16H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -23578,18 +16233,11 @@ index = 1184, label = "C8H10-2 + C9H11-15 <=> C17H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (191, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(191,'cm^3/(mol*s)'), n=2.41, Ea=(31.4218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -23598,18 +16246,11 @@ index = 1185, label = "C8H10-2 + C3H3 <=> C11H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4490,'cm^3/(mol*s)'), n=2.41, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CtHH """, ) @@ -23618,18 +16259,11 @@ index = 1186, label = "C8H10-2 + C4H5-12 <=> C12H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5975, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(33.5975,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -23638,18 +16272,11 @@ index = 1187, label = "C5H7-5 + C8H10-2 <=> C13H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (258, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -23658,18 +16285,11 @@ index = 1188, label = "C8H10-2 + C2H3 <=> C10H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.9748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6790,'cm^3/(mol*s)'), n=2.41, Ea=(3.9748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CdsJ-H """, ) @@ -23678,18 +16298,11 @@ index = 1189, label = "C8H10-2 + C3H5 <=> C11H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.09616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3600,'cm^3/(mol*s)'), n=2.41, Ea=(3.09616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CdsJ-Cs """, ) @@ -23698,18 +16311,11 @@ index = 1190, label = "C8H10-2 + C6H5 <=> C14H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.98312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10700,'cm^3/(mol*s)'), n=2.41, Ea=(-5.98312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;CbJ """, ) @@ -23718,18 +16324,11 @@ index = 1191, label = "CH3 + C6H8-10 <=> C7H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7160,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-HHH """, ) @@ -23738,18 +16337,11 @@ index = 1192, label = "C6H8-10 + C2H5 <=> C8H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (728, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(728,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CsHH """, ) @@ -23758,18 +16350,11 @@ index = 1193, label = "C6H8-10 + C3H7-2 <=> C9H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (584, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.9951, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(584,'cm^3/(mol*s)'), n=2.41, Ea=(28.9951,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CsCsH """, ) @@ -23778,18 +16363,11 @@ index = 1194, label = "C6H8-10 + C4H9 <=> C10H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (432, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.0538, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(432,'cm^3/(mol*s)'), n=2.41, Ea=(23.0538,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CsCsCs """, ) @@ -23798,18 +16376,11 @@ index = 1195, label = "C6H8-10 + allyl <=> C9H13-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.6763, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15120,'cm^3/(mol*s)'), n=2.41, Ea=(62.6763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdHH """, ) @@ -23818,18 +16389,11 @@ index = 1196, label = "C6H8-10 + C4H7-2 <=> C10H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.6722, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(61.6722,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCsH """, ) @@ -23838,18 +16402,11 @@ index = 1197, label = "C6H8-10 + C5H9 <=> C11H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.6137, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(170,'cm^3/(mol*s)'), n=2.41, Ea=(57.6137,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCsCs """, ) @@ -23858,18 +16415,11 @@ index = 1198, label = "C6H8-10 + C5H7-3 <=> C11H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.7135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(81.7135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCdH """, ) @@ -23878,18 +16428,11 @@ index = 1199, label = "C6H8-10 + C6H9-12 <=> C12H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (907, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.9604, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(907,'cm^3/(mol*s)'), n=2.41, Ea=(80.9604,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CdCdCs """, ) @@ -23898,18 +16441,11 @@ index = 1200, label = "C6H8-10 + C7H7-3 <=> C13H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.9694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3510,'cm^3/(mol*s)'), n=2.41, Ea=(52.9694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CbHH """, ) @@ -23918,18 +16454,11 @@ index = 1201, label = "C6H8-10 + C8H9 <=> C14H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (862, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.0406, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(862,'cm^3/(mol*s)'), n=2.41, Ea=(50.0406,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CbCsH """, ) @@ -23938,18 +16467,11 @@ index = 1202, label = "C6H8-10 + C9H11-15 <=> C15H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (138, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.7813, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(138,'cm^3/(mol*s)'), n=2.41, Ea=(47.7813,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CbCsCs """, ) @@ -23958,18 +16480,11 @@ index = 1203, label = "C3H3 + C6H8-10 <=> C9H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.9234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3240,'cm^3/(mol*s)'), n=2.41, Ea=(51.9234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CtHH """, ) @@ -23978,18 +16493,11 @@ index = 1204, label = "C4H5-12 + C6H8-10 <=> C10H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (731, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.9988, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(731,'cm^3/(mol*s)'), n=2.41, Ea=(49.9988,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CtCsH """, ) @@ -23998,18 +16506,11 @@ index = 1205, label = "C5H7-5 + C6H8-10 <=> C11H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(186,'cm^3/(mol*s)'), n=2.41, Ea=(47.1118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CsJ-CtCsCs """, ) @@ -24018,18 +16519,11 @@ index = 1206, label = "C2H3 + C6H8-10 <=> C8H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4900,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CdsJ-H """, ) @@ -24038,18 +16532,11 @@ index = 1207, label = "C6H8-10 + C3H5 <=> C9H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CdsJ-Cs """, ) @@ -24058,18 +16545,11 @@ index = 1208, label = "C6H8-10 + C6H5 <=> C12H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.3763, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7740,'cm^3/(mol*s)'), n=2.41, Ea=(10.3763,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;CbJ """, ) @@ -24078,18 +16558,11 @@ index = 1209, label = "CH3 + C6H8-11 <=> C7H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.2251, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(34.2251,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-HHH """, ) @@ -24098,18 +16571,11 @@ index = 1210, label = "C6H8-11 + C2H5 <=> C8H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.8402, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(31.8402,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CsHH """, ) @@ -24118,18 +16584,11 @@ index = 1211, label = "C6H8-11 + C3H7-2 <=> C9H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8613, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1140,'cm^3/(mol*s)'), n=2.41, Ea=(26.8613,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CsCsH """, ) @@ -24138,18 +16597,11 @@ index = 1212, label = "C6H8-11 + C4H9 <=> C10H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (847, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.92, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(847,'cm^3/(mol*s)'), n=2.41, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CsCsCs """, ) @@ -24158,18 +16610,11 @@ index = 1213, label = "C6H8-11 + allyl <=> C9H13-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.5425, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29600,'cm^3/(mol*s)'), n=2.41, Ea=(60.5425,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdHH """, ) @@ -24178,18 +16623,11 @@ index = 1214, label = "C6H8-11 + C4H7-2 <=> C10H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.5383, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(59.5383,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCsH """, ) @@ -24198,18 +16636,11 @@ index = 1215, label = "C6H8-11 + C5H9 <=> C11H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (334, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.4798, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(334,'cm^3/(mol*s)'), n=2.41, Ea=(55.4798,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCsCs """, ) @@ -24218,18 +16649,11 @@ index = 1216, label = "C6H8-11 + C5H7-3 <=> C11H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.5378, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5200,'cm^3/(mol*s)'), n=2.41, Ea=(79.5378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCdH """, ) @@ -24238,18 +16662,11 @@ index = 1217, label = "C6H8-11 + C6H9-12 <=> C12H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.7847, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(78.7847,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CdCdCs """, ) @@ -24258,18 +16675,11 @@ index = 1218, label = "C6H8-11 + C7H7-3 <=> C13H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6870,'cm^3/(mol*s)'), n=2.41, Ea=(50.7938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CbHH """, ) @@ -24278,18 +16688,11 @@ index = 1219, label = "C6H8-11 + C8H9 <=> C14H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9068, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1690,'cm^3/(mol*s)'), n=2.41, Ea=(47.9068,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CbCsH """, ) @@ -24298,18 +16701,11 @@ index = 1220, label = "C6H8-11 + C9H11-15 <=> C15H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6474, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(270,'cm^3/(mol*s)'), n=2.41, Ea=(45.6474,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CbCsCs """, ) @@ -24318,18 +16714,11 @@ index = 1221, label = "C3H3 + C6H8-11 <=> C9H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6350,'cm^3/(mol*s)'), n=2.41, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CtHH """, ) @@ -24338,18 +16727,11 @@ index = 1222, label = "C4H5-12 + C6H8-11 <=> C10H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.8231, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(47.8231,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CtCsH """, ) @@ -24358,18 +16740,11 @@ index = 1223, label = "C5H7-5 + C6H8-11 <=> C11H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (365, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(365,'cm^3/(mol*s)'), n=2.41, Ea=(44.978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CsJ-CtCsCs """, ) @@ -24378,18 +16753,11 @@ index = 1224, label = "C2H3 + C6H8-11 <=> C8H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2004, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9610,'cm^3/(mol*s)'), n=2.41, Ea=(18.2004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CdsJ-H """, ) @@ -24398,18 +16766,11 @@ index = 1225, label = "C3H5 + C6H8-11 <=> C9H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.3218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5090,'cm^3/(mol*s)'), n=2.41, Ea=(17.3218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CdsJ-Cs """, ) @@ -24418,18 +16779,11 @@ index = 1226, label = "C6H8-11 + C6H5 <=> C12H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.24248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15200,'cm^3/(mol*s)'), n=2.41, Ea=(8.24248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;CbJ """, ) @@ -24438,18 +16792,11 @@ index = 1227, label = "CH3 + C7H10-7 <=> C8H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9281, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14100,'cm^3/(mol*s)'), n=2.41, Ea=(32.9281,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-HHH """, ) @@ -24458,18 +16805,11 @@ index = 1228, label = "C7H10-7 + C2H5 <=> C9H15-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CsHH """, ) @@ -24478,18 +16818,11 @@ index = 1229, label = "C7H10-7 + C3H7-2 <=> C10H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.5224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1150,'cm^3/(mol*s)'), n=2.41, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CsCsH """, ) @@ -24498,18 +16831,11 @@ index = 1230, label = "C7H10-7 + C4H9 <=> C11H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (851, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.623, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(851,'cm^3/(mol*s)'), n=2.41, Ea=(19.623,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CsCsCs """, ) @@ -24518,18 +16844,11 @@ index = 1231, label = "C7H10-7 + allyl <=> C10H15-45", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.2454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29800,'cm^3/(mol*s)'), n=2.41, Ea=(59.2454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdHH """, ) @@ -24538,18 +16857,11 @@ index = 1232, label = "C7H10-7 + C4H7-2 <=> C11H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.2413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2590,'cm^3/(mol*s)'), n=2.41, Ea=(58.2413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCsH """, ) @@ -24558,18 +16870,11 @@ index = 1233, label = "C7H10-7 + C5H9 <=> C12H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (335, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(335,'cm^3/(mol*s)'), n=2.41, Ea=(54.141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCsCs """, ) @@ -24578,18 +16883,11 @@ index = 1234, label = "C5H7-3 + C7H10-7 <=> C12H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.2408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5230,'cm^3/(mol*s)'), n=2.41, Ea=(78.2408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCdH """, ) @@ -24598,18 +16896,11 @@ index = 1235, label = "C6H9-12 + C7H10-7 <=> C13H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.4877, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(77.4877,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CdCdCs """, ) @@ -24618,18 +16909,11 @@ index = 1236, label = "C7H10-7 + C7H7-3 <=> C14H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.4967, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6900,'cm^3/(mol*s)'), n=2.41, Ea=(49.4967,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CbHH """, ) @@ -24638,18 +16922,11 @@ index = 1237, label = "C7H10-7 + C8H9 <=> C15H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6098, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(46.6098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CbCsH """, ) @@ -24658,18 +16935,11 @@ index = 1238, label = "C7H10-7 + C9H11-15 <=> C16H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (271, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(271,'cm^3/(mol*s)'), n=2.41, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CbCsCs """, ) @@ -24678,18 +16948,11 @@ index = 1239, label = "C3H3 + C7H10-7 <=> C10H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4926, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6380,'cm^3/(mol*s)'), n=2.41, Ea=(48.4926,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CtHH """, ) @@ -24698,18 +16961,11 @@ index = 1240, label = "C4H5-12 + C7H10-7 <=> C11H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.5261, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1440,'cm^3/(mol*s)'), n=2.41, Ea=(46.5261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CtCsH """, ) @@ -24718,18 +16974,11 @@ index = 1241, label = "C5H7-5 + C7H10-7 <=> C12H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (367, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(367,'cm^3/(mol*s)'), n=2.41, Ea=(43.681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CsJ-CtCsCs """, ) @@ -24738,18 +16987,11 @@ index = 1242, label = "C2H3 + C7H10-7 <=> C9H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.9034, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9650,'cm^3/(mol*s)'), n=2.41, Ea=(16.9034,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CdsJ-H """, ) @@ -24758,18 +17000,11 @@ index = 1243, label = "C3H5 + C7H10-7 <=> C10H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.0247, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5110,'cm^3/(mol*s)'), n=2.41, Ea=(16.0247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CdsJ-Cs """, ) @@ -24778,18 +17013,11 @@ index = 1244, label = "C7H10-7 + C6H5 <=> C13H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.9036, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15200,'cm^3/(mol*s)'), n=2.41, Ea=(6.9036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;CbJ """, ) @@ -24798,18 +17026,11 @@ index = 1245, label = "CH3 + C8H12-3 <=> C9H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2963, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17700,'cm^3/(mol*s)'), n=2.41, Ea=(31.2963,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-HHH """, ) @@ -24818,18 +17039,11 @@ index = 1246, label = "C8H12-3 + C2H5 <=> C10H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.9114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1800,'cm^3/(mol*s)'), n=2.41, Ea=(28.9114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CsHH """, ) @@ -24838,18 +17052,11 @@ index = 1247, label = "C8H12-3 + C3H7-2 <=> C11H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.9325, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1450,'cm^3/(mol*s)'), n=2.41, Ea=(23.9325,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CsCsH """, ) @@ -24858,18 +17065,11 @@ index = 1248, label = "C8H12-3 + C4H9 <=> C12H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1070,'cm^3/(mol*s)'), n=2.41, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CsCsCs """, ) @@ -24878,18 +17078,11 @@ index = 1249, label = "C8H12-3 + allyl <=> C11H17-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (37400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.6137, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(37400,'cm^3/(mol*s)'), n=2.41, Ea=(57.6137,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdHH """, ) @@ -24898,18 +17091,11 @@ index = 1250, label = "C8H12-3 + C4H7-2 <=> C12H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.6095, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3260,'cm^3/(mol*s)'), n=2.41, Ea=(56.6095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCsH """, ) @@ -24918,18 +17104,11 @@ index = 1251, label = "C8H12-3 + C5H9 <=> C13H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.551, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(52.551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCsCs """, ) @@ -24938,18 +17117,11 @@ index = 1252, label = "C5H7-3 + C8H12-3 <=> C13H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.6509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6570,'cm^3/(mol*s)'), n=2.41, Ea=(76.6509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCdH """, ) @@ -24958,18 +17130,11 @@ index = 1253, label = "C8H12-3 + C6H9-12 <=> C14H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.8978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2240,'cm^3/(mol*s)'), n=2.41, Ea=(75.8978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CdCdCs """, ) @@ -24978,18 +17143,11 @@ index = 1254, label = "C8H12-3 + C7H7-3 <=> C15H19-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9068, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8680,'cm^3/(mol*s)'), n=2.41, Ea=(47.9068,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CbHH """, ) @@ -24998,18 +17156,11 @@ index = 1255, label = "C8H12-3 + C8H9 <=> C16H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2130,'cm^3/(mol*s)'), n=2.41, Ea=(44.978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CbCsH """, ) @@ -25018,18 +17169,11 @@ index = 1256, label = "C8H12-3 + C9H11-15 <=> C17H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (342, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.7186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(342,'cm^3/(mol*s)'), n=2.41, Ea=(42.7186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CbCsCs """, ) @@ -25038,18 +17182,11 @@ index = 1257, label = "C3H3 + C8H12-3 <=> C11H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.8608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8020,'cm^3/(mol*s)'), n=2.41, Ea=(46.8608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CtHH """, ) @@ -25058,18 +17195,11 @@ index = 1258, label = "C4H5-12 + C8H12-3 <=> C12H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CtCsH """, ) @@ -25078,18 +17208,11 @@ index = 1259, label = "C5H7-5 + C8H12-3 <=> C13H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (462, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0492, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(462,'cm^3/(mol*s)'), n=2.41, Ea=(42.0492,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CsJ-CtCsCs """, ) @@ -25098,18 +17221,11 @@ index = 1260, label = "C2H3 + C8H12-3 <=> C10H15-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.2716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12100,'cm^3/(mol*s)'), n=2.41, Ea=(15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CdsJ-H """, ) @@ -25118,18 +17234,11 @@ index = 1261, label = "C3H5 + C8H12-3 <=> C11H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.393, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6430,'cm^3/(mol*s)'), n=2.41, Ea=(14.393,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CdsJ-Cs """, ) @@ -25138,18 +17247,11 @@ index = 1262, label = "C8H12-3 + C6H5 <=> C14H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19200,'cm^3/(mol*s)'), n=2.41, Ea=(5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;CbJ """, ) @@ -25158,18 +17260,11 @@ index = 1263, label = "CH3 + C8H10-3 <=> C9H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.2129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(21.2129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-HHH """, ) @@ -25178,18 +17273,11 @@ index = 1264, label = "C8H10-3 + C2H5 <=> C10H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.8698, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(18.8698,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CsHH """, ) @@ -25198,18 +17286,11 @@ index = 1265, label = "C8H10-3 + C3H7-2 <=> C11H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.849, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(13.849,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CsCsH """, ) @@ -25218,18 +17299,11 @@ index = 1266, label = "C8H10-3 + C4H9 <=> C12H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (955, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.9496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(955,'cm^3/(mol*s)'), n=2.41, Ea=(7.9496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CsCsCs """, ) @@ -25238,18 +17312,11 @@ index = 1267, label = "C8H10-3 + allyl <=> C11H15-45", degeneracy = 2.0, - kinetics = Arrhenius( - A = (33400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33400,'cm^3/(mol*s)'), n=2.41, Ea=(47.5302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdHH """, ) @@ -25258,18 +17325,11 @@ index = 1268, label = "C8H10-3 + C4H7-2 <=> C12H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.5261, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2910,'cm^3/(mol*s)'), n=2.41, Ea=(46.5261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCsH """, ) @@ -25278,18 +17338,11 @@ index = 1269, label = "C8H10-3 + C5H9 <=> C13H19-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (376, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.4676, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(376,'cm^3/(mol*s)'), n=2.41, Ea=(42.4676,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCsCs """, ) @@ -25298,18 +17351,11 @@ index = 1270, label = "C5H7-3 + C8H10-3 <=> C13H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.5674, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5870,'cm^3/(mol*s)'), n=2.41, Ea=(66.5674,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCdH """, ) @@ -25318,18 +17364,11 @@ index = 1271, label = "C8H10-3 + C6H9-12 <=> C14H19-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.8143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2000,'cm^3/(mol*s)'), n=2.41, Ea=(65.8143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CdCdCs """, ) @@ -25338,18 +17377,11 @@ index = 1272, label = "C8H10-3 + C7H7-3 <=> C15H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7750,'cm^3/(mol*s)'), n=2.41, Ea=(37.8234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CbHH """, ) @@ -25358,18 +17390,11 @@ index = 1273, label = "C8H10-3 + C8H9 <=> C16H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8946, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1910,'cm^3/(mol*s)'), n=2.41, Ea=(34.8946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CbCsH """, ) @@ -25378,18 +17403,11 @@ index = 1274, label = "C8H10-3 + C9H11-15 <=> C17H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (305, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(305,'cm^3/(mol*s)'), n=2.41, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CbCsCs """, ) @@ -25398,18 +17416,11 @@ index = 1275, label = "C3H3 + C8H10-3 <=> C11H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7774, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7160,'cm^3/(mol*s)'), n=2.41, Ea=(36.7774,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CtHH """, ) @@ -25418,18 +17429,11 @@ index = 1276, label = "C4H5-12 + C8H10-3 <=> C12H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CtCsH """, ) @@ -25438,18 +17442,11 @@ index = 1277, label = "C5H7-5 + C8H10-3 <=> C13H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (412, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(412,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CsJ-CtCsCs """, ) @@ -25458,18 +17455,11 @@ index = 1278, label = "C2H3 + C8H10-3 <=> C10H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.23, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(5.23,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CdsJ-H """, ) @@ -25478,18 +17468,11 @@ index = 1279, label = "C3H5 + C8H10-3 <=> C11H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.30952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5740,'cm^3/(mol*s)'), n=2.41, Ea=(4.30952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CdsJ-Cs """, ) @@ -25498,18 +17481,11 @@ index = 1280, label = "C8H10-3 + C6H5 <=> C14H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.76976, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17100,'cm^3/(mol*s)'), n=2.41, Ea=(-4.76976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;CbJ """, ) @@ -25518,18 +17494,11 @@ index = 1281, label = "CH3 + C9H12-2 <=> C10H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18000,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-HHH """, ) @@ -25538,18 +17507,11 @@ index = 1282, label = "C9H12-2 + C2H5 <=> C11H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.1126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1820,'cm^3/(mol*s)'), n=2.41, Ea=(17.1126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CsHH """, ) @@ -25558,18 +17520,11 @@ index = 1283, label = "C9H12-2 + C3H7-2 <=> C12H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.0918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1460,'cm^3/(mol*s)'), n=2.41, Ea=(12.0918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CsCsH """, ) @@ -25578,18 +17533,11 @@ index = 1284, label = "C9H12-2 + C4H9 <=> C13H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CsCsCs """, ) @@ -25598,18 +17546,11 @@ index = 1285, label = "C9H12-2 + allyl <=> C12H17-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (38000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(38000,'cm^3/(mol*s)'), n=2.41, Ea=(45.773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdHH """, ) @@ -25618,18 +17559,11 @@ index = 1286, label = "C4H7-2 + C9H12-2 <=> C13H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.8106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3300,'cm^3/(mol*s)'), n=2.41, Ea=(44.8106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCsH """, ) @@ -25638,18 +17572,11 @@ index = 1287, label = "C9H12-2 + C5H9 <=> C14H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (427, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(427,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCsCs """, ) @@ -25658,18 +17585,11 @@ index = 1288, label = "C9H12-2 + C5H7-3 <=> C14H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.8102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6660,'cm^3/(mol*s)'), n=2.41, Ea=(64.8102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCdH """, ) @@ -25678,18 +17598,11 @@ index = 1289, label = "C6H9-12 + C9H12-2 <=> C15H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2270,'cm^3/(mol*s)'), n=2.41, Ea=(64.057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CdCdCs """, ) @@ -25698,18 +17611,11 @@ index = 1290, label = "C9H12-2 + C7H7-3 <=> C16H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0661, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8790,'cm^3/(mol*s)'), n=2.41, Ea=(36.0661,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CbHH """, ) @@ -25718,18 +17624,11 @@ index = 1291, label = "C9H12-2 + C8H9 <=> C17H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2160,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CbCsH """, ) @@ -25738,18 +17637,11 @@ index = 1292, label = "C9H12-2 + C9H11-15 <=> C18H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (346, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(346,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CbCsCs """, ) @@ -25758,18 +17650,11 @@ index = 1293, label = "C3H3 + C9H12-2 <=> C12H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0201, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8130,'cm^3/(mol*s)'), n=2.41, Ea=(35.0201,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CtHH """, ) @@ -25778,18 +17663,11 @@ index = 1294, label = "C4H5-12 + C9H12-2 <=> C13H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1830,'cm^3/(mol*s)'), n=2.41, Ea=(33.0954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CtCsH """, ) @@ -25798,18 +17676,11 @@ index = 1295, label = "C5H7-5 + C9H12-2 <=> C14H19-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (467, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2503, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(467,'cm^3/(mol*s)'), n=2.41, Ea=(30.2503,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CsJ-CtCsCs """, ) @@ -25818,18 +17689,11 @@ index = 1296, label = "C2H3 + C9H12-2 <=> C11H15-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.47272, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12300,'cm^3/(mol*s)'), n=2.41, Ea=(3.47272,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CdsJ-H """, ) @@ -25838,18 +17702,11 @@ index = 1297, label = "C3H5 + C9H12-2 <=> C12H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.55224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6520,'cm^3/(mol*s)'), n=2.41, Ea=(2.55224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CdsJ-Cs """, ) @@ -25858,18 +17715,11 @@ index = 1298, label = "C9H12-2 + C6H5 <=> C15H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.52704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19400,'cm^3/(mol*s)'), n=2.41, Ea=(-6.52704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;CbJ """, ) @@ -25878,18 +17728,11 @@ index = 1299, label = "CH3 + C10H12-3 <=> C11H15-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (109600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.69, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(109600,'cm^3/(mol*s)'), n=2.41, Ea=(15.69,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-HHH """, ) @@ -25898,18 +17741,11 @@ index = 1300, label = "C10H12-3 + C2H5 <=> C12H17-43", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.3051, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11120,'cm^3/(mol*s)'), n=2.41, Ea=(13.3051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CsHH """, ) @@ -25918,18 +17754,11 @@ index = 1301, label = "C10H12-3 + C3H7-2 <=> C13H19-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.32616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8920,'cm^3/(mol*s)'), n=2.41, Ea=(8.32616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CsCsH """, ) @@ -25938,18 +17767,11 @@ index = 1302, label = "C10H12-3 + C4H9 <=> C14H21-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.38488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6600,'cm^3/(mol*s)'), n=2.41, Ea=(2.38488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CsCsCs """, ) @@ -25958,18 +17780,11 @@ index = 1303, label = "C10H12-3 + allyl <=> C13H17-37", degeneracy = 4.0, - kinetics = Arrhenius( - A = (231200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(231200,'cm^3/(mol*s)'), n=2.41, Ea=(42.0074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdHH """, ) @@ -25978,18 +17793,11 @@ index = 1304, label = "C10H12-3 + C4H7-2 <=> C14H19-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.0032, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(41.0032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCsH """, ) @@ -25998,18 +17806,11 @@ index = 1305, label = "C10H12-3 + C5H9 <=> C15H21-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.9447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(36.9447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCsCs """, ) @@ -26018,18 +17819,11 @@ index = 1306, label = "C5H7-3 + C10H12-3 <=> C15H19-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (40600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.0446, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(40600,'cm^3/(mol*s)'), n=2.41, Ea=(61.0446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCdH """, ) @@ -26038,18 +17832,11 @@ index = 1307, label = "C10H12-3 + C6H9-12 <=> C16H21-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.2914, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13860,'cm^3/(mol*s)'), n=2.41, Ea=(60.2914,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CdCdCs """, ) @@ -26058,18 +17845,11 @@ index = 1308, label = "C10H12-3 + C7H7-3 <=> C17H19-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (53600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3005, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(53600,'cm^3/(mol*s)'), n=2.41, Ea=(32.3005,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CbHH """, ) @@ -26078,18 +17858,11 @@ index = 1309, label = "C10H12-3 + C8H9 <=> C18H21-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3717, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13180,'cm^3/(mol*s)'), n=2.41, Ea=(29.3717,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CbCsH """, ) @@ -26098,18 +17871,11 @@ index = 1310, label = "C10H12-3 + C9H11-15 <=> C19H23-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1123, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2100,'cm^3/(mol*s)'), n=2.41, Ea=(27.1123,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CbCsCs """, ) @@ -26118,18 +17884,11 @@ index = 1311, label = "C3H3 + C10H12-3 <=> C13H15-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (49600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(49600,'cm^3/(mol*s)'), n=2.41, Ea=(31.2545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CtHH """, ) @@ -26138,18 +17897,11 @@ index = 1312, label = "C4H5-12 + C10H12-3 <=> C14H17-32", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.3298, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11160,'cm^3/(mol*s)'), n=2.41, Ea=(29.3298,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CtCsH """, ) @@ -26158,18 +17910,11 @@ index = 1313, label = "C5H7-5 + C10H12-3 <=> C15H19-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.4847, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2840,'cm^3/(mol*s)'), n=2.41, Ea=(26.4847,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CsJ-CtCsCs """, ) @@ -26178,18 +17923,11 @@ index = 1314, label = "C2H3 + C10H12-3 <=> C12H15-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.33472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75000,'cm^3/(mol*s)'), n=2.41, Ea=(-0.33472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CdsJ-H """, ) @@ -26198,18 +17936,11 @@ index = 1315, label = "C3H5 + C10H12-3 <=> C13H17-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (39800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.21336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39800,'cm^3/(mol*s)'), n=2.41, Ea=(-1.21336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CdsJ-Cs """, ) @@ -26218,18 +17949,11 @@ index = 1316, label = "C10H12-3 + C6H5 <=> C16H17-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (118400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-10.2926, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(118400,'cm^3/(mol*s)'), n=2.41, Ea=(-10.2926,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;CbJ """, ) @@ -26238,18 +17962,11 @@ index = 1317, label = "CH3 + C12H12 <=> C13H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.5767, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5170,'cm^3/(mol*s)'), n=2.41, Ea=(28.5767,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-HHH """, ) @@ -26258,18 +17975,11 @@ index = 1318, label = "C12H12 + C2H5 <=> C14H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (525, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(525,'cm^3/(mol*s)'), n=2.41, Ea=(26.1918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CsHH """, ) @@ -26278,18 +17988,11 @@ index = 1319, label = "C12H12 + C3H7-2 <=> C15H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (421, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(421,'cm^3/(mol*s)'), n=2.41, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CsCsH """, ) @@ -26298,18 +18001,11 @@ index = 1320, label = "C12H12 + C4H9 <=> C16H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (312, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.2716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(312,'cm^3/(mol*s)'), n=2.41, Ea=(15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CsCsCs """, ) @@ -26318,18 +18014,11 @@ index = 1321, label = "C12H12 + allyl <=> C15H17-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10900,'cm^3/(mol*s)'), n=2.41, Ea=(54.8941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdHH """, ) @@ -26338,18 +18027,11 @@ index = 1322, label = "C12H12 + C4H7-2 <=> C16H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.8899, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(950,'cm^3/(mol*s)'), n=2.41, Ea=(53.8899,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCsH """, ) @@ -26358,18 +18040,11 @@ index = 1323, label = "C5H9 + C12H12 <=> C17H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123,'cm^3/(mol*s)'), n=2.41, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCsCs """, ) @@ -26378,18 +18053,11 @@ index = 1324, label = "C5H7-3 + C12H12 <=> C17H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.8894, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1920,'cm^3/(mol*s)'), n=2.41, Ea=(73.8894,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCdH """, ) @@ -26398,18 +18066,11 @@ index = 1325, label = "C12H12 + C6H9-12 <=> C18H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (654, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.1363, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(654,'cm^3/(mol*s)'), n=2.41, Ea=(73.1363,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CdCdCs """, ) @@ -26418,18 +18079,11 @@ index = 1326, label = "C12H12 + C7H7-3 <=> C19H19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(45.1454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CbHH """, ) @@ -26438,18 +18092,11 @@ index = 1327, label = "C12H12 + C8H9 <=> C20H21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (622, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(622,'cm^3/(mol*s)'), n=2.41, Ea=(42.2584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CbCsH """, ) @@ -26458,18 +18105,11 @@ index = 1328, label = "C12H12 + C9H11-15 <=> C21H23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (99.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(99.5,'cm^3/(mol*s)'), n=2.41, Ea=(39.999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CbCsCs """, ) @@ -26478,18 +18118,11 @@ index = 1329, label = "C3H3 + C12H12 <=> C15H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.1412, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2340,'cm^3/(mol*s)'), n=2.41, Ea=(44.1412,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CtHH """, ) @@ -26498,18 +18131,11 @@ index = 1330, label = "C4H5-12 + C12H12 <=> C16H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (527, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.1747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(527,'cm^3/(mol*s)'), n=2.41, Ea=(42.1747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CtCsH """, ) @@ -26518,18 +18144,11 @@ index = 1331, label = "C5H7-5 + C12H12 <=> C17H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (134, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.3296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(134,'cm^3/(mol*s)'), n=2.41, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CsJ-CtCsCs """, ) @@ -26538,18 +18157,11 @@ index = 1332, label = "C2H3 + C12H12 <=> C14H15-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3540,'cm^3/(mol*s)'), n=2.41, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CdsJ-H """, ) @@ -26558,18 +18170,11 @@ index = 1333, label = "C3H5 + C12H12 <=> C15H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.6315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1870,'cm^3/(mol*s)'), n=2.41, Ea=(11.6315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CdsJ-Cs """, ) @@ -26578,18 +18183,11 @@ index = 1334, label = "C12H12 + C6H5 <=> C18H17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5590, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.55224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5590,'cm^3/(mol*s)'), n=2.41, Ea=(2.55224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;CbJ """, ) @@ -26598,18 +18196,11 @@ index = 1335, label = "CH3 + C13H14 <=> C14H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.9073, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11000,'cm^3/(mol*s)'), n=2.41, Ea=(27.9073,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-HHH """, ) @@ -26618,18 +18209,11 @@ index = 1336, label = "C13H14 + C2H5 <=> C15H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.5224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CsHH """, ) @@ -26638,18 +18222,11 @@ index = 1337, label = "C13H14 + C3H7-2 <=> C16H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (893, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(893,'cm^3/(mol*s)'), n=2.41, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CsCsH """, ) @@ -26658,18 +18235,11 @@ index = 1338, label = "C13H14 + C4H9 <=> C17H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (661, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6022, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(661,'cm^3/(mol*s)'), n=2.41, Ea=(14.6022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CsCsCs """, ) @@ -26678,18 +18248,11 @@ index = 1339, label = "C13H14 + allyl <=> C16H19-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.2246, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23200,'cm^3/(mol*s)'), n=2.41, Ea=(54.2246,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdHH """, ) @@ -26698,18 +18261,11 @@ index = 1340, label = "C4H7-2 + C13H14 <=> C17H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.2205, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(53.2205,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCsH """, ) @@ -26718,18 +18274,11 @@ index = 1341, label = "C13H14 + C5H9 <=> C18H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (261, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.1202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(261,'cm^3/(mol*s)'), n=2.41, Ea=(49.1202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCsCs """, ) @@ -26738,18 +18287,11 @@ index = 1342, label = "C13H14 + C5H7-3 <=> C18H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.22, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4060,'cm^3/(mol*s)'), n=2.41, Ea=(73.22,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCdH """, ) @@ -26758,18 +18300,11 @@ index = 1343, label = "C6H9-12 + C13H14 <=> C19H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.4669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(72.4669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CdCdCs """, ) @@ -26778,18 +18313,11 @@ index = 1344, label = "C13H14 + C7H7-3 <=> C20H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.4759, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5360,'cm^3/(mol*s)'), n=2.41, Ea=(44.4759,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CbHH """, ) @@ -26798,18 +18326,11 @@ index = 1345, label = "C13H14 + C8H9 <=> C21H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CbCsH """, ) @@ -26818,18 +18339,11 @@ index = 1346, label = "C13H14 + C9H11-15 <=> C22H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (211, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.3296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(211,'cm^3/(mol*s)'), n=2.41, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CbCsCs """, ) @@ -26838,18 +18352,11 @@ index = 1347, label = "C3H3 + C13H14 <=> C16H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4960,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CtHH """, ) @@ -26858,18 +18365,11 @@ index = 1348, label = "C4H5-12 + C13H14 <=> C17H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5053, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(41.5053,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CtCsH """, ) @@ -26878,18 +18378,11 @@ index = 1349, label = "C5H7-5 + C13H14 <=> C18H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (285, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(285,'cm^3/(mol*s)'), n=2.41, Ea=(38.6602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CsJ-CtCsCs """, ) @@ -26898,18 +18391,11 @@ index = 1350, label = "C2H3 + C13H14 <=> C15H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7500,'cm^3/(mol*s)'), n=2.41, Ea=(11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CdsJ-H """, ) @@ -26918,18 +18404,11 @@ index = 1351, label = "C3H5 + C13H14 <=> C16H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3980,'cm^3/(mol*s)'), n=2.41, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CdsJ-Cs """, ) @@ -26938,18 +18417,11 @@ index = 1352, label = "C13H14 + C6H5 <=> C19H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.8828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11800,'cm^3/(mol*s)'), n=2.41, Ea=(1.8828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;CbJ """, ) @@ -26958,18 +18430,11 @@ index = 1353, label = "C8H8-4 + CH3 <=> C9H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20500,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-HHH """, ) @@ -26978,18 +18443,11 @@ index = 1354, label = "C8H8-4 + C2H5 <=> C10H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.2004, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(18.2004,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CsHH """, ) @@ -26998,18 +18456,11 @@ index = 1355, label = "C8H8-4 + C3H7-2 <=> C11H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CsCsH """, ) @@ -27018,18 +18469,11 @@ index = 1356, label = "C8H8-4 + C4H9 <=> C12H17-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.28016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(7.28016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CsCsCs """, ) @@ -27038,18 +18482,11 @@ index = 1357, label = "C8H8-4 + allyl <=> C11H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (43400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(43400,'cm^3/(mol*s)'), n=2.41, Ea=(46.9026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdHH """, ) @@ -27058,18 +18495,11 @@ index = 1358, label = "C8H8-4 + C4H7-2 <=> C12H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8985, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(45.8985,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCsH """, ) @@ -27078,18 +18508,11 @@ index = 1359, label = "C8H8-4 + C5H9 <=> C13H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (488, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.84, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(488,'cm^3/(mol*s)'), n=2.41, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCsCs """, ) @@ -27098,18 +18521,11 @@ index = 1360, label = "C8H8-4 + C5H7-3 <=> C13H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.898, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7610,'cm^3/(mol*s)'), n=2.41, Ea=(65.898,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCdH """, ) @@ -27118,18 +18534,11 @@ index = 1361, label = "C8H8-4 + C6H9-12 <=> C14H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.1449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(65.1449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CdCdCs """, ) @@ -27138,18 +18547,11 @@ index = 1362, label = "C8H8-4 + C7H7-3 <=> C15H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.1539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(37.1539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CbHH """, ) @@ -27158,18 +18560,11 @@ index = 1363, label = "C8H8-4 + C8H9 <=> C16H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CbCsH """, ) @@ -27178,18 +18573,11 @@ index = 1364, label = "C8H8-4 + C9H11-15 <=> C17H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (395, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(395,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CbCsCs """, ) @@ -27198,18 +18586,11 @@ index = 1365, label = "C8H8-4 + C3H3 <=> C11H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1498, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9280,'cm^3/(mol*s)'), n=2.41, Ea=(36.1498,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CtHH """, ) @@ -27218,18 +18599,11 @@ index = 1366, label = "C8H8-4 + C4H5-12 <=> C12H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.1833, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2090,'cm^3/(mol*s)'), n=2.41, Ea=(34.1833,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CtCsH """, ) @@ -27238,18 +18612,11 @@ index = 1367, label = "C8H8-4 + C5H7-5 <=> C13H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (534, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.3382, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(534,'cm^3/(mol*s)'), n=2.41, Ea=(31.3382,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CsJ-CtCsCs """, ) @@ -27258,18 +18625,11 @@ index = 1368, label = "C8H8-4 + C2H3 <=> C10H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.56056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(4.56056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CdsJ-H """, ) @@ -27278,18 +18638,11 @@ index = 1369, label = "C8H8-4 + C3H5 <=> C11H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.68192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7440,'cm^3/(mol*s)'), n=2.41, Ea=(3.68192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CdsJ-Cs """, ) @@ -27298,18 +18651,11 @@ index = 1370, label = "C8H8-4 + C6H5 <=> C14H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.4392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22200,'cm^3/(mol*s)'), n=2.41, Ea=(-5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;CbJ """, ) @@ -27318,18 +18664,11 @@ index = 1371, label = "C9H10-11 + CH3 <=> C10H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2087, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(20.2087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-HHH """, ) @@ -27338,18 +18677,11 @@ index = 1372, label = "C9H10-11 + C2H5 <=> C11H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.8238, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2130,'cm^3/(mol*s)'), n=2.41, Ea=(17.8238,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CsHH """, ) @@ -27358,18 +18690,11 @@ index = 1373, label = "C9H10-11 + C3H7-2 <=> C12H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.8449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1710,'cm^3/(mol*s)'), n=2.41, Ea=(12.8449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CsCsH """, ) @@ -27378,18 +18703,11 @@ index = 1374, label = "C9H10-11 + C4H9 <=> C13H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.94544, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1270,'cm^3/(mol*s)'), n=2.41, Ea=(6.94544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CsCsCs """, ) @@ -27398,18 +18716,11 @@ index = 1375, label = "C9H10-11 + allyl <=> C12H15-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.5261, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(46.5261,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdHH """, ) @@ -27418,18 +18729,11 @@ index = 1376, label = "C9H10-11 + C4H7-2 <=> C13H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5219, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3860,'cm^3/(mol*s)'), n=2.41, Ea=(45.5219,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCsH """, ) @@ -27438,18 +18742,11 @@ index = 1377, label = "C9H10-11 + C5H9 <=> C14H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (499, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(499,'cm^3/(mol*s)'), n=2.41, Ea=(41.4634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCsCs """, ) @@ -27458,18 +18755,11 @@ index = 1378, label = "C9H10-11 + C5H7-3 <=> C14H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.5633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7790,'cm^3/(mol*s)'), n=2.41, Ea=(65.5633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCdH """, ) @@ -27478,18 +18768,11 @@ index = 1379, label = "C9H10-11 + C6H9-12 <=> C15H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.8102, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(64.8102,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CdCdCs """, ) @@ -27498,18 +18781,11 @@ index = 1380, label = "C9H10-11 + C7H7-3 <=> C16H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.8192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CbHH """, ) @@ -27518,18 +18794,11 @@ index = 1381, label = "C9H10-11 + C8H9 <=> C17H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CbCsH """, ) @@ -27538,18 +18807,11 @@ index = 1382, label = "C9H10-11 + C9H11-15 <=> C18H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (405, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.631, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(405,'cm^3/(mol*s)'), n=2.41, Ea=(31.631,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CbCsCs """, ) @@ -27558,18 +18820,11 @@ index = 1383, label = "C3H3 + C9H10-11 <=> C12H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9500,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CtHH """, ) @@ -27578,18 +18833,11 @@ index = 1384, label = "C9H10-11 + C4H5-12 <=> C13H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8486, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(33.8486,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CtCsH """, ) @@ -27598,18 +18846,11 @@ index = 1385, label = "C5H7-5 + C9H10-11 <=> C14H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (547, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.0034, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(547,'cm^3/(mol*s)'), n=2.41, Ea=(31.0034,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CsJ-CtCsCs """, ) @@ -27618,18 +18859,11 @@ index = 1386, label = "C9H10-11 + C2H3 <=> C11H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14400,'cm^3/(mol*s)'), n=2.41, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CdsJ-H """, ) @@ -27638,18 +18872,11 @@ index = 1387, label = "C9H10-11 + C3H5 <=> C12H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.30536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7620,'cm^3/(mol*s)'), n=2.41, Ea=(3.30536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CdsJ-Cs """, ) @@ -27658,18 +18885,11 @@ index = 1388, label = "C9H10-11 + C6H5 <=> C15H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22700,'cm^3/(mol*s)'), n=2.41, Ea=(-5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;CbJ """, ) @@ -27678,18 +18898,11 @@ index = 1389, label = "CH3 + C7H8-18 <=> C8H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.61, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15200,'cm^3/(mol*s)'), n=2.41, Ea=(36.61,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-HHH """, ) @@ -27698,18 +18911,11 @@ index = 1390, label = "C7H8-18 + C2H5 <=> C9H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.2251, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1540,'cm^3/(mol*s)'), n=2.41, Ea=(34.2251,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CsHH """, ) @@ -27718,18 +18924,11 @@ index = 1391, label = "C7H8-18 + C3H7-2 <=> C10H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.2043, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(29.2043,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CsCsH """, ) @@ -27738,18 +18937,11 @@ index = 1392, label = "C7H8-18 + C4H9 <=> C11H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (915, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(915,'cm^3/(mol*s)'), n=2.41, Ea=(23.3049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CsCsCs """, ) @@ -27758,18 +18950,11 @@ index = 1393, label = "C7H8-18 + allyl <=> C10H13-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (32000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.9274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32000,'cm^3/(mol*s)'), n=2.41, Ea=(62.9274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdHH """, ) @@ -27778,18 +18963,11 @@ index = 1394, label = "C7H8-18 + C4H7-2 <=> C11H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.9232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(61.9232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCsH """, ) @@ -27798,18 +18976,11 @@ index = 1395, label = "C7H8-18 + C5H9 <=> C12H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.8229, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(360,'cm^3/(mol*s)'), n=2.41, Ea=(57.8229,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCsCs """, ) @@ -27818,18 +18989,11 @@ index = 1396, label = "C7H8-18 + C5H7-3 <=> C12H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.9227, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5620,'cm^3/(mol*s)'), n=2.41, Ea=(81.9227,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCdH """, ) @@ -27838,18 +19002,11 @@ index = 1397, label = "C7H8-18 + C6H9-12 <=> C13H17-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.1696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1920,'cm^3/(mol*s)'), n=2.41, Ea=(81.1696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CdCdCs """, ) @@ -27858,18 +19015,11 @@ index = 1398, label = "C7H8-18 + C7H7-3 <=> C14H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.1786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7420,'cm^3/(mol*s)'), n=2.41, Ea=(53.1786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CbHH """, ) @@ -27878,18 +19028,11 @@ index = 1399, label = "C7H8-18 + C8H9 <=> C15H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.2917, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1820,'cm^3/(mol*s)'), n=2.41, Ea=(50.2917,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CbCsH """, ) @@ -27898,18 +19041,11 @@ index = 1400, label = "C7H8-18 + C9H11-15 <=> C16H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (292, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(292,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CbCsCs """, ) @@ -27918,18 +19054,11 @@ index = 1401, label = "C3H3 + C7H8-18 <=> C10H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1745, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6860,'cm^3/(mol*s)'), n=2.41, Ea=(52.1745,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CtHH """, ) @@ -27938,18 +19067,11 @@ index = 1402, label = "C4H5-12 + C7H8-18 <=> C11H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1550,'cm^3/(mol*s)'), n=2.41, Ea=(50.208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CtCsH """, ) @@ -27958,18 +19080,11 @@ index = 1403, label = "C5H7-5 + C7H8-18 <=> C12H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (394, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.3629, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(394,'cm^3/(mol*s)'), n=2.41, Ea=(47.3629,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CsJ-CtCsCs """, ) @@ -27978,18 +19093,11 @@ index = 1404, label = "C2H3 + C7H8-18 <=> C9H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.5853, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10400,'cm^3/(mol*s)'), n=2.41, Ea=(20.5853,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CdsJ-H """, ) @@ -27998,18 +19106,11 @@ index = 1405, label = "C7H8-18 + C3H5 <=> C10H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.6648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5500,'cm^3/(mol*s)'), n=2.41, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CdsJ-Cs """, ) @@ -28018,18 +19119,11 @@ index = 1406, label = "C7H8-18 + C6H5 <=> C13H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5855, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16400,'cm^3/(mol*s)'), n=2.41, Ea=(10.5855,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;CbJ """, ) @@ -28038,18 +19132,11 @@ index = 1407, label = "CH3 + C8H8-2 <=> C9H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7314, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3750,'cm^3/(mol*s)'), n=2.41, Ea=(35.7314,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-HHH """, ) @@ -28058,18 +19145,11 @@ index = 1408, label = "C8H8-2 + C2H5 <=> C10H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3465, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(380,'cm^3/(mol*s)'), n=2.41, Ea=(33.3465,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CsHH """, ) @@ -28078,18 +19158,11 @@ index = 1409, label = "C8H8-2 + C3H7-2 <=> C11H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (305, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3675, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(305,'cm^3/(mol*s)'), n=2.41, Ea=(28.3675,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CsCsH """, ) @@ -28098,18 +19171,11 @@ index = 1410, label = "C8H8-2 + C4H9 <=> C12H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (226, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.4262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(226,'cm^3/(mol*s)'), n=2.41, Ea=(22.4262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CsCsCs """, ) @@ -28118,18 +19184,11 @@ index = 1411, label = "allyl + C8H8-2 <=> C11H13-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.0487, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7900,'cm^3/(mol*s)'), n=2.41, Ea=(62.0487,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdHH """, ) @@ -28138,18 +19197,11 @@ index = 1412, label = "C4H7-2 + C8H8-2 <=> C12H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (688, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.0446, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(688,'cm^3/(mol*s)'), n=2.41, Ea=(61.0446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCsH """, ) @@ -28158,18 +19210,11 @@ index = 1413, label = "C5H9 + C8H8-2 <=> C13H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (89, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.9861, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89,'cm^3/(mol*s)'), n=2.41, Ea=(56.9861,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCsCs """, ) @@ -28178,18 +19223,11 @@ index = 1414, label = "C5H7-3 + C8H8-2 <=> C13H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.0441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(81.0441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCdH """, ) @@ -28198,18 +19236,11 @@ index = 1415, label = "C6H9-12 + C8H8-2 <=> C14H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (474, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.291, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(474,'cm^3/(mol*s)'), n=2.41, Ea=(80.291,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CdCdCs """, ) @@ -28218,18 +19249,11 @@ index = 1416, label = "C8H8-2 + C7H7-3 <=> C15H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1830,'cm^3/(mol*s)'), n=2.41, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CbHH """, ) @@ -28238,18 +19262,11 @@ index = 1417, label = "C8H8-2 + C8H9 <=> C16H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (451, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(451,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CbCsH """, ) @@ -28258,18 +19275,11 @@ index = 1418, label = "C8H8-2 + C9H11-15 <=> C17H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1537, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72.1,'cm^3/(mol*s)'), n=2.41, Ea=(47.1537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CbCsCs """, ) @@ -28278,18 +19288,11 @@ index = 1419, label = "C3H3 + C8H8-2 <=> C11H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.2958, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1690,'cm^3/(mol*s)'), n=2.41, Ea=(51.2958,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CtHH """, ) @@ -28298,18 +19301,11 @@ index = 1420, label = "C4H5-12 + C8H8-2 <=> C12H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(49.3294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CtCsH """, ) @@ -28318,18 +19314,11 @@ index = 1421, label = "C5H7-5 + C8H8-2 <=> C13H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (97.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(97.5,'cm^3/(mol*s)'), n=2.41, Ea=(46.4842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CsJ-CtCsCs """, ) @@ -28338,18 +19327,11 @@ index = 1422, label = "C2H3 + C8H8-2 <=> C10H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2560,'cm^3/(mol*s)'), n=2.41, Ea=(19.7066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CdsJ-H """, ) @@ -28358,18 +19340,11 @@ index = 1423, label = "C3H5 + C8H8-2 <=> C11H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CdsJ-Cs """, ) @@ -28378,18 +19353,11 @@ index = 1424, label = "C8H8-2 + C6H5 <=> C14H13-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.70688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4050,'cm^3/(mol*s)'), n=2.41, Ea=(9.70688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;CbJ """, ) @@ -28398,18 +19366,11 @@ index = 1425, label = "CH3 + C9H10-2 <=> C10H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3760,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-HHH """, ) @@ -28418,18 +19379,11 @@ index = 1426, label = "C2H5 + C9H10-2 <=> C11H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CsHH """, ) @@ -28438,18 +19392,11 @@ index = 1427, label = "C9H10-2 + C3H7-2 <=> C12H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (306, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(306,'cm^3/(mol*s)'), n=2.41, Ea=(27.0286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CsCsH """, ) @@ -28458,18 +19405,11 @@ index = 1428, label = "C9H10-2 + C4H9 <=> C13H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (227, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.1292, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(227,'cm^3/(mol*s)'), n=2.41, Ea=(21.1292,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CsCsCs """, ) @@ -28478,18 +19418,11 @@ index = 1429, label = "allyl + C9H10-2 <=> C12H15-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7517, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7940,'cm^3/(mol*s)'), n=2.41, Ea=(60.7517,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdHH """, ) @@ -28498,18 +19431,11 @@ index = 1430, label = "C4H7-2 + C9H10-2 <=> C13H17-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (691, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7475, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(691,'cm^3/(mol*s)'), n=2.41, Ea=(59.7475,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCsH """, ) @@ -28518,18 +19444,11 @@ index = 1431, label = "C5H9 + C9H10-2 <=> C14H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (89.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.6472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89.4,'cm^3/(mol*s)'), n=2.41, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCsCs """, ) @@ -28538,18 +19457,11 @@ index = 1432, label = "C5H7-3 + C9H10-2 <=> C14H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(79.747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCdH """, ) @@ -28558,18 +19470,11 @@ index = 1433, label = "C6H9-12 + C9H10-2 <=> C15H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (476, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.9939, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(476,'cm^3/(mol*s)'), n=2.41, Ea=(78.9939,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CdCdCs """, ) @@ -28578,18 +19483,11 @@ index = 1434, label = "C7H7-3 + C9H10-2 <=> C16H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1840,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CbHH """, ) @@ -28598,18 +19496,11 @@ index = 1435, label = "C8H9 + C9H10-2 <=> C17H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (453, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(453,'cm^3/(mol*s)'), n=2.41, Ea=(48.116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CbCsH """, ) @@ -28618,18 +19509,11 @@ index = 1436, label = "C9H10-2 + C9H11-15 <=> C18H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72.4,'cm^3/(mol*s)'), n=2.41, Ea=(45.8566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CbCsCs """, ) @@ -28638,18 +19522,11 @@ index = 1437, label = "C3H3 + C9H10-2 <=> C12H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.9988, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(49.9988,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CtHH """, ) @@ -28658,18 +19535,11 @@ index = 1438, label = "C4H5-12 + C9H10-2 <=> C13H15-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (384, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(384,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CtCsH """, ) @@ -28678,18 +19548,11 @@ index = 1439, label = "C5H7-5 + C9H10-2 <=> C14H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (97.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1872, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(97.9,'cm^3/(mol*s)'), n=2.41, Ea=(45.1872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CsJ-CtCsCs """, ) @@ -28698,18 +19561,11 @@ index = 1440, label = "C2H3 + C9H10-2 <=> C11H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2570,'cm^3/(mol*s)'), n=2.41, Ea=(18.4096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CdsJ-H """, ) @@ -28718,18 +19574,11 @@ index = 1441, label = "C3H5 + C9H10-2 <=> C12H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.4891, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(17.4891,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CdsJ-Cs """, ) @@ -28738,18 +19587,11 @@ index = 1442, label = "C6H5 + C9H10-2 <=> C15H15-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4060,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;CbJ """, ) @@ -28758,18 +19600,11 @@ index = 1443, label = "CH3 + C10H12-4 <=> C11H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4730, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.8026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4730,'cm^3/(mol*s)'), n=2.41, Ea=(32.8026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-HHH """, ) @@ -28778,18 +19613,11 @@ index = 1444, label = "C2H5 + C10H12-4 <=> C12H17-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (481, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(481,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CsHH """, ) @@ -28798,18 +19626,11 @@ index = 1445, label = "C10H12-4 + C3H7-2 <=> C13H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (386, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.4387, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(386,'cm^3/(mol*s)'), n=2.41, Ea=(25.4387,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CsCsH """, ) @@ -28818,18 +19639,11 @@ index = 1446, label = "C10H12-4 + C4H9 <=> C14H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (286, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4974, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(286,'cm^3/(mol*s)'), n=2.41, Ea=(19.4974,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -28838,18 +19652,11 @@ index = 1447, label = "allyl + C10H12-4 <=> C13H17-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.1199, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9980,'cm^3/(mol*s)'), n=2.41, Ea=(59.1199,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdHH """, ) @@ -28858,18 +19665,11 @@ index = 1448, label = "C4H7-2 + C10H12-4 <=> C14H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.1158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(870,'cm^3/(mol*s)'), n=2.41, Ea=(58.1158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCsH """, ) @@ -28878,18 +19678,11 @@ index = 1449, label = "C5H9 + C10H12-4 <=> C15H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (112, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.0573, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(112,'cm^3/(mol*s)'), n=2.41, Ea=(54.0573,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -28898,18 +19691,11 @@ index = 1450, label = "C5H7-3 + C10H12-4 <=> C15H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.1571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1750,'cm^3/(mol*s)'), n=2.41, Ea=(78.1571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCdH """, ) @@ -28918,18 +19704,11 @@ index = 1451, label = "C6H9-12 + C10H12-4 <=> C16H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (599, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.404, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(599,'cm^3/(mol*s)'), n=2.41, Ea=(77.404,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -28938,18 +19717,11 @@ index = 1452, label = "C7H7-3 + C10H12-4 <=> C17H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2320,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CbHH """, ) @@ -28958,18 +19730,11 @@ index = 1453, label = "C8H9 + C10H12-4 <=> C18H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(570,'cm^3/(mol*s)'), n=2.41, Ea=(46.4842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CbCsH """, ) @@ -28978,18 +19743,11 @@ index = 1454, label = "C10H12-4 + C9H11-15 <=> C19H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (91.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.2249, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(91.1,'cm^3/(mol*s)'), n=2.41, Ea=(44.2249,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -28998,18 +19756,11 @@ index = 1455, label = "C3H3 + C10H12-4 <=> C13H15-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.367, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(48.367,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CtHH """, ) @@ -29018,18 +19769,11 @@ index = 1456, label = "C4H5-12 + C10H12-4 <=> C14H17-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (483, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(483,'cm^3/(mol*s)'), n=2.41, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CtCsH """, ) @@ -29038,18 +19782,11 @@ index = 1457, label = "C5H7-5 + C10H12-4 <=> C15H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123,'cm^3/(mol*s)'), n=2.41, Ea=(43.5554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -29058,18 +19795,11 @@ index = 1458, label = "C2H3 + C10H12-4 <=> C12H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.7778, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3240,'cm^3/(mol*s)'), n=2.41, Ea=(16.7778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CdsJ-H """, ) @@ -29078,18 +19808,11 @@ index = 1459, label = "C3H5 + C10H12-4 <=> C13H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1720,'cm^3/(mol*s)'), n=2.41, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CdsJ-Cs """, ) @@ -29098,18 +19821,11 @@ index = 1460, label = "C6H5 + C10H12-4 <=> C16H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.81992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5110,'cm^3/(mol*s)'), n=2.41, Ea=(6.81992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;CbJ """, ) @@ -29118,18 +19834,11 @@ index = 1461, label = "CH3 + C10H10-14 <=> C11H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.7191, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(22.7191,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-HHH """, ) @@ -29138,18 +19847,11 @@ index = 1462, label = "C10H10-14 + C2H5 <=> C12H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (429, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3342, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(429,'cm^3/(mol*s)'), n=2.41, Ea=(20.3342,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CsHH """, ) @@ -29158,18 +19860,11 @@ index = 1463, label = "C10H10-14 + C3H7-2 <=> C13H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (344, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.3553, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(344,'cm^3/(mol*s)'), n=2.41, Ea=(15.3553,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CsCsH """, ) @@ -29178,18 +19873,11 @@ index = 1464, label = "C10H10-14 + C4H9 <=> C14H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (255, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(255,'cm^3/(mol*s)'), n=2.41, Ea=(9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CsCsCs """, ) @@ -29198,18 +19886,11 @@ index = 1465, label = "allyl + C10H10-14 <=> C13H15-35", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.0365, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8920,'cm^3/(mol*s)'), n=2.41, Ea=(49.0365,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdHH """, ) @@ -29218,18 +19899,11 @@ index = 1466, label = "C10H10-14 + C4H7-2 <=> C14H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (776, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(776,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCsH """, ) @@ -29238,18 +19912,11 @@ index = 1467, label = "C5H9 + C10H10-14 <=> C15H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.9738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100,'cm^3/(mol*s)'), n=2.41, Ea=(43.9738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCsCs """, ) @@ -29258,18 +19925,11 @@ index = 1468, label = "C5H7-3 + C10H10-14 <=> C15H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.0737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(68.0737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCdH """, ) @@ -29278,18 +19938,11 @@ index = 1469, label = "C10H10-14 + C6H9-12 <=> C16H19-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (534, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.3206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(534,'cm^3/(mol*s)'), n=2.41, Ea=(67.3206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CdCdCs """, ) @@ -29298,18 +19951,11 @@ index = 1470, label = "C10H10-14 + C7H7-3 <=> C17H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.3296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2070,'cm^3/(mol*s)'), n=2.41, Ea=(39.3296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CbHH """, ) @@ -29318,18 +19964,11 @@ index = 1471, label = "C10H10-14 + C8H9 <=> C18H19-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (508, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.4008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(508,'cm^3/(mol*s)'), n=2.41, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CbCsH """, ) @@ -29338,18 +19977,11 @@ index = 1472, label = "C10H10-14 + C9H11-15 <=> C19H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (81.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.1414, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(81.3,'cm^3/(mol*s)'), n=2.41, Ea=(34.1414,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CbCsCs """, ) @@ -29358,18 +19990,11 @@ index = 1473, label = "C3H3 + C10H10-14 <=> C13H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.2836, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1910,'cm^3/(mol*s)'), n=2.41, Ea=(38.2836,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CtHH """, ) @@ -29378,18 +20003,11 @@ index = 1474, label = "C4H5-12 + C10H10-14 <=> C14H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (431, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(431,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CtCsH """, ) @@ -29398,18 +20016,11 @@ index = 1475, label = "C5H7-5 + C10H10-14 <=> C15H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(110,'cm^3/(mol*s)'), n=2.41, Ea=(33.5138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CsJ-CtCsCs """, ) @@ -29418,18 +20029,11 @@ index = 1476, label = "C2H3 + C10H10-14 <=> C12H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2890,'cm^3/(mol*s)'), n=2.41, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CdsJ-H """, ) @@ -29438,18 +20042,11 @@ index = 1477, label = "C3H5 + C10H10-14 <=> C13H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.81576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(5.81576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CdsJ-Cs """, ) @@ -29458,18 +20055,11 @@ index = 1478, label = "C10H10-14 + C6H5 <=> C16H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.26352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(-3.26352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;CbJ """, ) @@ -29478,18 +20068,11 @@ index = 1479, label = "CH3 + C11H12-3 <=> C12H15-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4790,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-HHH """, ) @@ -29498,18 +20081,11 @@ index = 1480, label = "C11H12-3 + C2H5 <=> C13H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (487, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(487,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CsHH """, ) @@ -29518,18 +20094,11 @@ index = 1481, label = "C11H12-3 + C3H7-2 <=> C14H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (391, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(391,'cm^3/(mol*s)'), n=2.41, Ea=(13.598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CsCsH """, ) @@ -29538,18 +20107,11 @@ index = 1482, label = "C11H12-3 + C4H9 <=> C15H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (289, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.69856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(289,'cm^3/(mol*s)'), n=2.41, Ea=(7.69856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -29558,18 +20120,11 @@ index = 1483, label = "allyl + C11H12-3 <=> C14H17-43", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10120,'cm^3/(mol*s)'), n=2.41, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdHH """, ) @@ -29578,18 +20133,11 @@ index = 1484, label = "C4H7-2 + C11H12-3 <=> C15H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (881, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(881,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCsH """, ) @@ -29598,18 +20146,11 @@ index = 1485, label = "C5H9 + C11H12-3 <=> C16H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (114, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.2166, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(114,'cm^3/(mol*s)'), n=2.41, Ea=(42.2166,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -29618,18 +20159,11 @@ index = 1486, label = "C5H7-3 + C11H12-3 <=> C16H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.3164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(66.3164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCdH """, ) @@ -29638,18 +20172,11 @@ index = 1487, label = "C6H9-12 + C11H12-3 <=> C17H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (606, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.5633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(606,'cm^3/(mol*s)'), n=2.41, Ea=(65.5633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -29658,18 +20185,11 @@ index = 1488, label = "C11H12-3 + C7H7-3 <=> C18H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2350,'cm^3/(mol*s)'), n=2.41, Ea=(37.5723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CbHH """, ) @@ -29678,18 +20198,11 @@ index = 1489, label = "C11H12-3 + C8H9 <=> C19H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (577, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(577,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CbCsH """, ) @@ -29698,18 +20211,11 @@ index = 1490, label = "C11H12-3 + C9H11-15 <=> C20H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (92.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.3842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(92.3,'cm^3/(mol*s)'), n=2.41, Ea=(32.3842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -29718,18 +20224,11 @@ index = 1491, label = "C3H3 + C11H12-3 <=> C14H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.5263, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2170,'cm^3/(mol*s)'), n=2.41, Ea=(36.5263,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CtHH """, ) @@ -29738,18 +20237,11 @@ index = 1492, label = "C4H5-12 + C11H12-3 <=> C15H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (489, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6017, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(489,'cm^3/(mol*s)'), n=2.41, Ea=(34.6017,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CtCsH """, ) @@ -29758,18 +20250,11 @@ index = 1493, label = "C5H7-5 + C11H12-3 <=> C16H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (125, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7566, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(125,'cm^3/(mol*s)'), n=2.41, Ea=(31.7566,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -29778,18 +20263,11 @@ index = 1494, label = "C2H3 + C11H12-3 <=> C13H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3280,'cm^3/(mol*s)'), n=2.41, Ea=(4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CdsJ-H """, ) @@ -29798,18 +20276,11 @@ index = 1495, label = "C3H5 + C11H12-3 <=> C14H17-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.05848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1740,'cm^3/(mol*s)'), n=2.41, Ea=(4.05848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CdsJ-Cs """, ) @@ -29818,18 +20289,11 @@ index = 1496, label = "C11H12-3 + C6H5 <=> C17H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(-5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;CbJ """, ) @@ -29838,18 +20302,11 @@ index = 1497, label = "CH3 + C12H12-2 <=> C13H15-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.1962, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(17.1962,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-HHH """, ) @@ -29858,18 +20315,11 @@ index = 1498, label = "C12H12-2 + C2H5 <=> C14H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1480,'cm^3/(mol*s)'), n=2.41, Ea=(14.8114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CsHH """, ) @@ -29878,18 +20328,11 @@ index = 1499, label = "C12H12-2 + C3H7-2 <=> C15H19-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CsCsH """, ) @@ -29898,18 +20341,11 @@ index = 1500, label = "C12H12-2 + C4H9 <=> C16H21-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (881, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.89112, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(881,'cm^3/(mol*s)'), n=2.41, Ea=(3.89112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -29918,18 +20354,11 @@ index = 1501, label = "allyl + C12H12-2 <=> C15H17-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.5136, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30800,'cm^3/(mol*s)'), n=2.41, Ea=(43.5136,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdHH """, ) @@ -29938,18 +20367,11 @@ index = 1502, label = "C12H12-2 + C4H7-2 <=> C16H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(42.5094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCsH """, ) @@ -29958,18 +20380,11 @@ index = 1503, label = "C12H12-2 + C5H9 <=> C17H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (347, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.451, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(347,'cm^3/(mol*s)'), n=2.41, Ea=(38.451,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -29978,18 +20393,11 @@ index = 1504, label = "C12H12-2 + C5H7-3 <=> C17H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.5508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(62.5508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCdH """, ) @@ -29998,18 +20406,11 @@ index = 1505, label = "C6H9-12 + C12H12-2 <=> C18H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.7977, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(61.7977,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -30018,18 +20419,11 @@ index = 1506, label = "C12H12-2 + C7H7-3 <=> C19H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8067, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7150,'cm^3/(mol*s)'), n=2.41, Ea=(33.8067,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CbHH """, ) @@ -30038,18 +20432,11 @@ index = 1507, label = "C12H12-2 + C8H9 <=> C20H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CbCsH """, ) @@ -30058,18 +20445,11 @@ index = 1508, label = "C12H12-2 + C9H11-15 <=> C21H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (281, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.6186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(281,'cm^3/(mol*s)'), n=2.41, Ea=(28.6186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -30078,18 +20458,11 @@ index = 1509, label = "C3H3 + C12H12-2 <=> C15H15-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7607, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6610,'cm^3/(mol*s)'), n=2.41, Ea=(32.7607,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CtHH """, ) @@ -30098,18 +20471,11 @@ index = 1510, label = "C4H5-12 + C12H12-2 <=> C16H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8361, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(30.8361,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CtCsH """, ) @@ -30118,18 +20484,11 @@ index = 1511, label = "C5H7-5 + C12H12-2 <=> C17H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(380,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -30138,18 +20497,11 @@ index = 1512, label = "C2H3 + C12H12-2 <=> C14H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.17152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9990,'cm^3/(mol*s)'), n=2.41, Ea=(1.17152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CdsJ-H """, ) @@ -30158,18 +20510,11 @@ index = 1513, label = "C3H5 + C12H12-2 <=> C15H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.29288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5300,'cm^3/(mol*s)'), n=2.41, Ea=(0.29288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CdsJ-Cs """, ) @@ -30178,18 +20523,11 @@ index = 1514, label = "C12H12-2 + C6H5 <=> C18H17-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(-8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;CbJ """, ) @@ -30198,18 +20536,11 @@ index = 1515, label = "CH3 + C14H12 <=> C15H15-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.083, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2760,'cm^3/(mol*s)'), n=2.41, Ea=(30.083,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-HHH """, ) @@ -30218,18 +20549,11 @@ index = 1516, label = "C2H5 + C14H12 <=> C16H17-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6981, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(280,'cm^3/(mol*s)'), n=2.41, Ea=(27.6981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CsHH """, ) @@ -30238,18 +20562,11 @@ index = 1517, label = "C14H12 + C3H7-2 <=> C17H19-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (224, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(224,'cm^3/(mol*s)'), n=2.41, Ea=(22.6773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CsCsH """, ) @@ -30258,18 +20575,11 @@ index = 1518, label = "C14H12 + C4H9 <=> C18H21-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (166.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.7778, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(166.4,'cm^3/(mol*s)'), n=2.41, Ea=(16.7778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CsCsCs """, ) @@ -30278,18 +20588,11 @@ index = 1519, label = "allyl + C14H12 <=> C17H17-6", degeneracy = 4.0, - kinetics = Arrhenius( - A = (5800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.4003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5800,'cm^3/(mol*s)'), n=2.41, Ea=(56.4003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdHH """, ) @@ -30298,18 +20601,11 @@ index = 1520, label = "C4H7-2 + C14H12 <=> C18H19-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (506, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.3962, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(506,'cm^3/(mol*s)'), n=2.41, Ea=(55.3962,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCsH """, ) @@ -30318,18 +20614,11 @@ index = 1521, label = "C5H9 + C14H12 <=> C19H21-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (65.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.2958, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(65.6,'cm^3/(mol*s)'), n=2.41, Ea=(51.2958,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCsCs """, ) @@ -30338,18 +20627,11 @@ index = 1522, label = "C5H7-3 + C14H12 <=> C19H19-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1022, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.3957, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1022,'cm^3/(mol*s)'), n=2.41, Ea=(75.3957,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCdH """, ) @@ -30358,18 +20640,11 @@ index = 1523, label = "C6H9-12 + C14H12 <=> C20H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (348, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.6426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=2.41, Ea=(74.6426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CdCdCs """, ) @@ -30378,18 +20653,11 @@ index = 1524, label = "C7H7-3 + C14H12 <=> C21H19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6516, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(46.6516,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CbHH """, ) @@ -30398,18 +20666,11 @@ index = 1525, label = "C14H12 + C8H9 <=> C22H21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (332, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7228, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(332,'cm^3/(mol*s)'), n=2.41, Ea=(43.7228,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CbCsH """, ) @@ -30418,18 +20679,11 @@ index = 1526, label = "C14H12 + C9H11-15 <=> C23H23", degeneracy = 2.0, - kinetics = Arrhenius( - A = (53, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5053, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(53,'cm^3/(mol*s)'), n=2.41, Ea=(41.5053,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CbCsCs """, ) @@ -30438,18 +20692,11 @@ index = 1527, label = "C3H3 + C14H12 <=> C17H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1248, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1248,'cm^3/(mol*s)'), n=2.41, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CtHH """, ) @@ -30458,18 +20705,11 @@ index = 1528, label = "C4H5-12 + C14H12 <=> C18H17-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (282, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282,'cm^3/(mol*s)'), n=2.41, Ea=(43.681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CtCsH """, ) @@ -30478,18 +20718,11 @@ index = 1529, label = "C5H7-5 + C14H12 <=> C19H19-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (71.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(71.8,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CsJ-CtCsCs """, ) @@ -30498,18 +20731,11 @@ index = 1530, label = "C2H3 + C14H12 <=> C16H15-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1886, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.0582, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1886,'cm^3/(mol*s)'), n=2.41, Ea=(14.0582,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CdsJ-H """, ) @@ -30518,18 +20744,11 @@ index = 1531, label = "C3H5 + C14H12 <=> C17H17-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1378, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1000,'cm^3/(mol*s)'), n=2.41, Ea=(13.1378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CdsJ-Cs """, ) @@ -30538,18 +20757,11 @@ index = 1532, label = "C6H5 + C14H12 <=> C20H17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.05848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2980,'cm^3/(mol*s)'), n=2.41, Ea=(4.05848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;CbJ """, ) @@ -30558,18 +20770,11 @@ index = 1533, label = "CH3 + C15H14 <=> C16H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2920,'cm^3/(mol*s)'), n=2.41, Ea=(29.4135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-HHH """, ) @@ -30578,18 +20783,11 @@ index = 1534, label = "C2H5 + C15H14 <=> C17H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (297, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(297,'cm^3/(mol*s)'), n=2.41, Ea=(27.0286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CsHH """, ) @@ -30598,18 +20796,11 @@ index = 1535, label = "C15H14 + C3H7-2 <=> C18H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (238, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0078, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(238,'cm^3/(mol*s)'), n=2.41, Ea=(22.0078,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CsCsH """, ) @@ -30618,18 +20809,11 @@ index = 1536, label = "C15H14 + C4H9 <=> C19H23-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (176, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(176,'cm^3/(mol*s)'), n=2.41, Ea=(16.1084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -30638,18 +20822,11 @@ index = 1537, label = "allyl + C15H14 <=> C18H19-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.7309, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6180,'cm^3/(mol*s)'), n=2.41, Ea=(55.7309,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdHH """, ) @@ -30658,18 +20835,11 @@ index = 1538, label = "C4H7-2 + C15H14 <=> C19H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (537, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.7267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(537,'cm^3/(mol*s)'), n=2.41, Ea=(54.7267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCsH """, ) @@ -30678,18 +20848,11 @@ index = 1539, label = "C5H9 + C15H14 <=> C20H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (69.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.6264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(69.5,'cm^3/(mol*s)'), n=2.41, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -30698,18 +20861,11 @@ index = 1540, label = "C5H7-3 + C15H14 <=> C20H21-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.7262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(74.7262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCdH """, ) @@ -30718,18 +20874,11 @@ index = 1541, label = "C6H9-12 + C15H14 <=> C21H23-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.9731, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(370,'cm^3/(mol*s)'), n=2.41, Ea=(73.9731,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -30738,18 +20887,11 @@ index = 1542, label = "C7H7-3 + C15H14 <=> C22H21-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.9822, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1430,'cm^3/(mol*s)'), n=2.41, Ea=(45.9822,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CbHH """, ) @@ -30758,18 +20900,11 @@ index = 1543, label = "C15H14 + C8H9 <=> C23H23-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (352, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0534, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(352,'cm^3/(mol*s)'), n=2.41, Ea=(43.0534,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CbCsH """, ) @@ -30778,18 +20913,11 @@ index = 1544, label = "C15H14 + C9H11-15 <=> C24H25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (56.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56.3,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -30798,18 +20926,11 @@ index = 1545, label = "C3H3 + C15H14 <=> C18H17-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CtHH """, ) @@ -30818,18 +20939,11 @@ index = 1546, label = "C4H5-12 + C15H14 <=> C19H19-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (298, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0115, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(298,'cm^3/(mol*s)'), n=2.41, Ea=(43.0115,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CtCsH """, ) @@ -30838,18 +20952,11 @@ index = 1547, label = "C5H7-5 + C15H14 <=> C20H21-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (76.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.1664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(76.1,'cm^3/(mol*s)'), n=2.41, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -30858,18 +20965,11 @@ index = 1548, label = "C2H3 + C15H14 <=> C17H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2000,'cm^3/(mol*s)'), n=2.41, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CdsJ-H """, ) @@ -30878,18 +20978,11 @@ index = 1549, label = "C3H5 + C15H14 <=> C18H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(12.4683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CdsJ-Cs """, ) @@ -30898,18 +20991,11 @@ index = 1550, label = "C6H5 + C15H14 <=> C21H19-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.38904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3160,'cm^3/(mol*s)'), n=2.41, Ea=(3.38904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;CbJ """, ) @@ -30918,18 +21004,11 @@ index = 1551, label = "C10H8-5 + CH3 <=> C11H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0915, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5470,'cm^3/(mol*s)'), n=2.41, Ea=(22.0915,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-HHH """, ) @@ -30938,18 +21017,11 @@ index = 1552, label = "C10H8-5 + C2H5 <=> C12H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (556, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(556,'cm^3/(mol*s)'), n=2.41, Ea=(19.7066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CsHH """, ) @@ -30958,18 +21030,11 @@ index = 1553, label = "C10H8-5 + C3H7-2 <=> C13H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (446, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(446,'cm^3/(mol*s)'), n=2.41, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CsCsH """, ) @@ -30978,18 +21043,11 @@ index = 1554, label = "C10H8-5 + C4H9 <=> C14H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.7864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(8.7864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CsCsCs """, ) @@ -30998,18 +21056,11 @@ index = 1555, label = "C10H8-5 + allyl <=> C13H13-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4089, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11560,'cm^3/(mol*s)'), n=2.41, Ea=(48.4089,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdHH """, ) @@ -31018,18 +21069,11 @@ index = 1556, label = "C10H8-5 + C4H7-2 <=> C14H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4047, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(47.4047,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCsH """, ) @@ -31038,18 +21082,11 @@ index = 1557, label = "C10H8-5 + C5H9 <=> C15H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3044, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(43.3044,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCsCs """, ) @@ -31058,18 +21095,11 @@ index = 1558, label = "C10H8-5 + C5H7-3 <=> C15H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.4042, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2030,'cm^3/(mol*s)'), n=2.41, Ea=(67.4042,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCdH """, ) @@ -31078,18 +21108,11 @@ index = 1559, label = "C10H8-5 + C6H9-12 <=> C16H17-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (693, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.6511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(693,'cm^3/(mol*s)'), n=2.41, Ea=(66.6511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CdCdCs """, ) @@ -31098,18 +21121,11 @@ index = 1560, label = "C10H8-5 + C7H7-3 <=> C17H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(38.6602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CbHH """, ) @@ -31118,18 +21134,11 @@ index = 1561, label = "C10H8-5 + C8H9 <=> C18H17-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (659, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(659,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CbCsH """, ) @@ -31138,18 +21147,11 @@ index = 1562, label = "C10H8-5 + C9H11-15 <=> C19H19-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (105, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.5138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=2.41, Ea=(33.5138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CbCsCs """, ) @@ -31158,18 +21160,11 @@ index = 1563, label = "C3H3 + C10H8-5 <=> C13H11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2480,'cm^3/(mol*s)'), n=2.41, Ea=(37.656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CtHH """, ) @@ -31178,18 +21173,11 @@ index = 1564, label = "C10H8-5 + C4H5-12 <=> C14H13-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (558, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(558,'cm^3/(mol*s)'), n=2.41, Ea=(35.6895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CtCsH """, ) @@ -31198,18 +21186,11 @@ index = 1565, label = "C5H7-5 + C10H8-5 <=> C15H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (142, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.8444, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(142,'cm^3/(mol*s)'), n=2.41, Ea=(32.8444,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CsJ-CtCsCs """, ) @@ -31218,18 +21199,11 @@ index = 1566, label = "C10H8-5 + C2H3 <=> C12H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.0668, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3750,'cm^3/(mol*s)'), n=2.41, Ea=(6.0668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CdsJ-H """, ) @@ -31238,18 +21212,11 @@ index = 1567, label = "C10H8-5 + C3H5 <=> C13H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.18816, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(5.18816,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CdsJ-Cs """, ) @@ -31258,18 +21225,11 @@ index = 1568, label = "C10H8-5 + C6H5 <=> C16H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5920,'cm^3/(mol*s)'), n=2.41, Ea=(-3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;CbJ """, ) @@ -31278,18 +21238,11 @@ index = 1569, label = "C11H10 + CH3 <=> C12H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5600,'cm^3/(mol*s)'), n=2.41, Ea=(21.715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-HHH """, ) @@ -31298,18 +21251,11 @@ index = 1570, label = "C11H10 + C2H5 <=> C13H15-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (569, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(569,'cm^3/(mol*s)'), n=2.41, Ea=(19.3301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CsHH """, ) @@ -31318,18 +21264,11 @@ index = 1571, label = "C11H10 + C3H7-2 <=> C14H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (457, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.3511, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(457,'cm^3/(mol*s)'), n=2.41, Ea=(14.3511,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CsCsH """, ) @@ -31338,18 +21277,11 @@ index = 1572, label = "C11H10 + C4H9 <=> C15H19-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (338, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(338,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -31358,18 +21290,11 @@ index = 1573, label = "C11H10 + allyl <=> C14H15-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11820,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdHH """, ) @@ -31378,18 +21303,11 @@ index = 1574, label = "C11H10 + C4H7-2 <=> C15H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.0282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1030,'cm^3/(mol*s)'), n=2.41, Ea=(47.0282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCsH """, ) @@ -31398,18 +21316,11 @@ index = 1575, label = "C11H10 + C5H9 <=> C16H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (133, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.9697, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(133,'cm^3/(mol*s)'), n=2.41, Ea=(42.9697,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -31418,18 +21329,11 @@ index = 1576, label = "C11H10 + C5H7-3 <=> C16H17-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.0695, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(67.0695,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCdH """, ) @@ -31438,18 +21342,11 @@ index = 1577, label = "C11H10 + C6H9-12 <=> C17H19-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (709, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.3164, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(709,'cm^3/(mol*s)'), n=2.41, Ea=(66.3164,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -31458,18 +21355,11 @@ index = 1578, label = "C11H10 + C7H7-3 <=> C18H17-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.3254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2740,'cm^3/(mol*s)'), n=2.41, Ea=(38.3254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CbHH """, ) @@ -31478,18 +21368,11 @@ index = 1579, label = "C11H10 + C8H9 <=> C19H19-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (674, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.3966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(674,'cm^3/(mol*s)'), n=2.41, Ea=(35.3966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CbCsH """, ) @@ -31498,18 +21381,11 @@ index = 1580, label = "C11H10 + C9H11-15 <=> C20H21-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (108, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(108,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -31518,18 +21394,11 @@ index = 1581, label = "C3H3 + C11H10 <=> C14H13-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2530,'cm^3/(mol*s)'), n=2.41, Ea=(37.2794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CtHH """, ) @@ -31538,18 +21407,11 @@ index = 1582, label = "C11H10 + C4H5-12 <=> C15H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (572, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.3548, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(572,'cm^3/(mol*s)'), n=2.41, Ea=(35.3548,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CtCsH """, ) @@ -31558,18 +21420,11 @@ index = 1583, label = "C11H10 + C5H7-5 <=> C16H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (146, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.5097, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(146,'cm^3/(mol*s)'), n=2.41, Ea=(32.5097,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -31578,18 +21433,11 @@ index = 1584, label = "C11H10 + C2H3 <=> C13H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.69024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3830,'cm^3/(mol*s)'), n=2.41, Ea=(5.69024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CdsJ-H """, ) @@ -31598,18 +21446,11 @@ index = 1585, label = "C11H10 + C3H5 <=> C14H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2030,'cm^3/(mol*s)'), n=2.41, Ea=(4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CdsJ-Cs """, ) @@ -31618,18 +21459,11 @@ index = 1586, label = "C11H10 + C6H5 <=> C17H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.26768, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6060,'cm^3/(mol*s)'), n=2.41, Ea=(-4.26768,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;CbJ """, ) @@ -31638,18 +21472,11 @@ index = 1587, label = "CH3 + C9H8-12 <=> C10H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4040,'cm^3/(mol*s)'), n=2.41, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-HHH """, ) @@ -31658,18 +21485,11 @@ index = 1588, label = "C9H8-12 + C2H5 <=> C11H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (411, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7314, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(411,'cm^3/(mol*s)'), n=2.41, Ea=(35.7314,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CsHH """, ) @@ -31678,18 +21498,11 @@ index = 1589, label = "C9H8-12 + C3H7-2 <=> C12H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(30.7106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CsCsH """, ) @@ -31698,18 +21511,11 @@ index = 1590, label = "C9H8-12 + C4H9 <=> C13H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (244, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.8111, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(244,'cm^3/(mol*s)'), n=2.41, Ea=(24.8111,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CsCsCs """, ) @@ -31718,18 +21524,11 @@ index = 1591, label = "C9H8-12 + allyl <=> C12H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.4336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8540,'cm^3/(mol*s)'), n=2.41, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdHH """, ) @@ -31738,18 +21537,11 @@ index = 1592, label = "C9H8-12 + C4H7-2 <=> C13H15-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (743, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.4294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(743,'cm^3/(mol*s)'), n=2.41, Ea=(63.4294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCsH """, ) @@ -31758,18 +21550,11 @@ index = 1593, label = "C9H8-12 + C5H9 <=> C14H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (96.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.3291, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(96.1,'cm^3/(mol*s)'), n=2.41, Ea=(59.3291,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCsCs """, ) @@ -31778,18 +21563,11 @@ index = 1594, label = "C9H8-12 + C5H7-3 <=> C14H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.429, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1500,'cm^3/(mol*s)'), n=2.41, Ea=(83.429,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCdH """, ) @@ -31798,18 +21576,11 @@ index = 1595, label = "C9H8-12 + C6H9-12 <=> C15H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (512, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.6758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(512,'cm^3/(mol*s)'), n=2.41, Ea=(82.6758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CdCdCs """, ) @@ -31818,18 +21589,11 @@ index = 1596, label = "C9H8-12 + C7H7-3 <=> C16H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.6849, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(54.6849,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CbHH """, ) @@ -31838,18 +21602,11 @@ index = 1597, label = "C9H8-12 + C8H9 <=> C17H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (487, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.7561, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(487,'cm^3/(mol*s)'), n=2.41, Ea=(51.7561,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CbCsH """, ) @@ -31858,18 +21615,11 @@ index = 1598, label = "C9H8-12 + C9H11-15 <=> C18H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (77.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(77.9,'cm^3/(mol*s)'), n=2.41, Ea=(49.5386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CbCsCs """, ) @@ -31878,18 +21628,11 @@ index = 1599, label = "C3H3 + C9H8-12 <=> C12H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1830,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CtHH """, ) @@ -31898,18 +21641,11 @@ index = 1600, label = "C4H5-12 + C9H8-12 <=> C13H13-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (413, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.7142, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(413,'cm^3/(mol*s)'), n=2.41, Ea=(51.7142,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CtCsH """, ) @@ -31918,18 +21654,11 @@ index = 1601, label = "C5H7-5 + C9H8-12 <=> C14H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (105, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.8691, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=2.41, Ea=(48.8691,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CsJ-CtCsCs """, ) @@ -31938,18 +21667,11 @@ index = 1602, label = "C2H3 + C9H8-12 <=> C11H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0915, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2770,'cm^3/(mol*s)'), n=2.41, Ea=(22.0915,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CdsJ-H """, ) @@ -31958,18 +21680,11 @@ index = 1603, label = "C9H8-12 + C3H5 <=> C12H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1470,'cm^3/(mol*s)'), n=2.41, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CdsJ-Cs """, ) @@ -31978,18 +21693,11 @@ index = 1604, label = "C9H8-12 + C6H5 <=> C15H13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.0918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4370,'cm^3/(mol*s)'), n=2.41, Ea=(12.0918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;CbJ """, ) @@ -31998,18 +21706,11 @@ index = 1605, label = "CH3 + C9H10-3 <=> C10H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-HHH """, ) @@ -32018,18 +21719,11 @@ index = 1606, label = "C9H10-3 + C2H5 <=> C11H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (339, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.3673, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(339,'cm^3/(mol*s)'), n=2.41, Ea=(38.3673,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CsHH """, ) @@ -32038,18 +21732,11 @@ index = 1607, label = "C9H10-3 + C3H7-2 <=> C12H17-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (272, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3465, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(272,'cm^3/(mol*s)'), n=2.41, Ea=(33.3465,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CsCsH """, ) @@ -32058,18 +21745,11 @@ index = 1608, label = "C9H10-3 + C4H9 <=> C13H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (201, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(201,'cm^3/(mol*s)'), n=2.41, Ea=(27.447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CsCsCs """, ) @@ -32078,18 +21758,11 @@ index = 1609, label = "allyl + C9H10-3 <=> C12H15-47", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.0277, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7040,'cm^3/(mol*s)'), n=2.41, Ea=(67.0277,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdHH """, ) @@ -32098,18 +21771,11 @@ index = 1610, label = "C4H7-2 + C9H10-3 <=> C13H17-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (613, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.0654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(613,'cm^3/(mol*s)'), n=2.41, Ea=(66.0654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCsH """, ) @@ -32118,18 +21784,11 @@ index = 1611, label = "C5H9 + C9H10-3 <=> C14H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (79.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(79.3,'cm^3/(mol*s)'), n=2.41, Ea=(61.965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCsCs """, ) @@ -32138,18 +21797,11 @@ index = 1612, label = "C5H7-3 + C9H10-3 <=> C14H17-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (86.0649, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(86.0649,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCdH """, ) @@ -32158,18 +21810,11 @@ index = 1613, label = "C6H9-12 + C9H10-3 <=> C15H19-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (422, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (85.3118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(422,'cm^3/(mol*s)'), n=2.41, Ea=(85.3118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CdCdCs """, ) @@ -32178,18 +21823,11 @@ index = 1614, label = "C9H10-3 + C7H7-3 <=> C16H17-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.3208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(57.3208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CbHH """, ) @@ -32198,18 +21836,11 @@ index = 1615, label = "C9H10-3 + C8H9 <=> C17H19-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (402, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(402,'cm^3/(mol*s)'), n=2.41, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CbCsH """, ) @@ -32218,18 +21849,11 @@ index = 1616, label = "C9H10-3 + C9H11-15 <=> C18H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64.2,'cm^3/(mol*s)'), n=2.41, Ea=(52.1326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CbCsCs """, ) @@ -32238,18 +21862,11 @@ index = 1617, label = "C3H3 + C9H10-3 <=> C12H13-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1510, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.2748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1510,'cm^3/(mol*s)'), n=2.41, Ea=(56.2748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CtHH """, ) @@ -32258,18 +21875,11 @@ index = 1618, label = "C4H5-12 + C9H10-3 <=> C13H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.3502, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(340,'cm^3/(mol*s)'), n=2.41, Ea=(54.3502,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CtCsH """, ) @@ -32278,18 +21888,11 @@ index = 1619, label = "C5H7-5 + C9H10-3 <=> C14H17-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (86.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.505, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(86.8,'cm^3/(mol*s)'), n=2.41, Ea=(51.505,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CsJ-CtCsCs """, ) @@ -32298,18 +21901,11 @@ index = 1620, label = "C2H3 + C9H10-3 <=> C11H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.7274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2280,'cm^3/(mol*s)'), n=2.41, Ea=(24.7274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CdsJ-H """, ) @@ -32318,18 +21914,11 @@ index = 1621, label = "C3H5 + C9H10-3 <=> C12H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.807, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1210,'cm^3/(mol*s)'), n=2.41, Ea=(23.807,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CdsJ-Cs """, ) @@ -32338,18 +21927,11 @@ index = 1622, label = "C9H10-3 + C6H5 <=> C15H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.7277, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3610,'cm^3/(mol*s)'), n=2.41, Ea=(14.7277,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;CbJ """, ) @@ -32358,18 +21940,11 @@ index = 1623, label = "CH3 + C10H12-5 <=> C11H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.4133, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3350,'cm^3/(mol*s)'), n=2.41, Ea=(39.4133,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-HHH """, ) @@ -32378,18 +21953,11 @@ index = 1624, label = "C2H5 + C10H12-5 <=> C12H17-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0284, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(340,'cm^3/(mol*s)'), n=2.41, Ea=(37.0284,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CsHH """, ) @@ -32398,18 +21966,11 @@ index = 1625, label = "C10H12-5 + C3H7-2 <=> C13H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (273, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(273,'cm^3/(mol*s)'), n=2.41, Ea=(32.0494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CsCsH """, ) @@ -32418,18 +21979,11 @@ index = 1626, label = "C10H12-5 + C4H9 <=> C14H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (202, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(202,'cm^3/(mol*s)'), n=2.41, Ea=(26.1082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -32438,18 +21992,11 @@ index = 1627, label = "allyl + C10H12-5 <=> C13H17-50", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.7306, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7080,'cm^3/(mol*s)'), n=2.41, Ea=(65.7306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdHH """, ) @@ -32458,18 +22005,11 @@ index = 1628, label = "C4H7-2 + C10H12-5 <=> C14H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.7265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(64.7265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCsH """, ) @@ -32478,18 +22018,11 @@ index = 1629, label = "C5H9 + C10H12-5 <=> C15H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (79.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.668, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(79.6,'cm^3/(mol*s)'), n=2.41, Ea=(60.668,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -32498,18 +22031,11 @@ index = 1630, label = "C5H7-3 + C10H12-5 <=> C15H19-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1240, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (84.7678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1240,'cm^3/(mol*s)'), n=2.41, Ea=(84.7678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCdH """, ) @@ -32518,18 +22044,11 @@ index = 1631, label = "C6H9-12 + C10H12-5 <=> C16H21-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (424, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (84.0147, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(424,'cm^3/(mol*s)'), n=2.41, Ea=(84.0147,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -32538,18 +22057,11 @@ index = 1632, label = "C7H7-3 + C10H12-5 <=> C17H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.0238, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1640,'cm^3/(mol*s)'), n=2.41, Ea=(56.0238,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CbHH """, ) @@ -32558,18 +22070,11 @@ index = 1633, label = "C8H9 + C10H12-5 <=> C18H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (403, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.095, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(403,'cm^3/(mol*s)'), n=2.41, Ea=(53.095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CbCsH """, ) @@ -32578,18 +22083,11 @@ index = 1634, label = "C9H11-15 + C10H12-5 <=> C19H23-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64.5, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.8356, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64.5,'cm^3/(mol*s)'), n=2.41, Ea=(50.8356,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -32598,18 +22096,11 @@ index = 1635, label = "C3H3 + C10H12-5 <=> C13H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.9778, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1520,'cm^3/(mol*s)'), n=2.41, Ea=(54.9778,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CtHH """, ) @@ -32618,18 +22109,11 @@ index = 1636, label = "C4H5-12 + C10H12-5 <=> C14H17-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (342, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0531, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(342,'cm^3/(mol*s)'), n=2.41, Ea=(53.0531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CtCsH """, ) @@ -32638,18 +22122,11 @@ index = 1637, label = "C5H7-5 + C10H12-5 <=> C15H19-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (87.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.1662, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(87.2,'cm^3/(mol*s)'), n=2.41, Ea=(50.1662,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -32658,18 +22135,11 @@ index = 1638, label = "C2H3 + C10H12-5 <=> C12H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2290,'cm^3/(mol*s)'), n=2.41, Ea=(23.3886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CdsJ-H """, ) @@ -32678,18 +22148,11 @@ index = 1639, label = "C3H5 + C10H12-5 <=> C13H17-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.5099, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1220,'cm^3/(mol*s)'), n=2.41, Ea=(22.5099,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CdsJ-Cs """, ) @@ -32698,18 +22161,11 @@ index = 1640, label = "C6H5 + C10H12-5 <=> C16H17-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4306, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3620,'cm^3/(mol*s)'), n=2.41, Ea=(13.4306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;CbJ """, ) @@ -32718,18 +22174,11 @@ index = 1641, label = "CH3 + C11H14-2 <=> C12H17-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8234, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4210,'cm^3/(mol*s)'), n=2.41, Ea=(37.8234,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-HHH """, ) @@ -32738,18 +22187,11 @@ index = 1642, label = "C2H5 + C11H14-2 <=> C13H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (428, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4385, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(428,'cm^3/(mol*s)'), n=2.41, Ea=(35.4385,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CsHH """, ) @@ -32758,18 +22200,11 @@ index = 1643, label = "C11H14-2 + C3H7-2 <=> C14H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (343, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.4177, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(343,'cm^3/(mol*s)'), n=2.41, Ea=(30.4177,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -32778,18 +22213,11 @@ index = 1644, label = "C11H14-2 + C4H9 <=> C15H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (254, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.5182, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(254,'cm^3/(mol*s)'), n=2.41, Ea=(24.5182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -32798,18 +22226,11 @@ index = 1645, label = "allyl + C11H14-2 <=> C14H19-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.1407, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8900,'cm^3/(mol*s)'), n=2.41, Ea=(64.1407,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdHH """, ) @@ -32818,18 +22239,11 @@ index = 1646, label = "C4H7-2 + C11H14-2 <=> C15H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (775, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.1366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(775,'cm^3/(mol*s)'), n=2.41, Ea=(63.1366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -32838,18 +22252,11 @@ index = 1647, label = "C5H9 + C11H14-2 <=> C16H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.0362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100,'cm^3/(mol*s)'), n=2.41, Ea=(59.0362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -32858,18 +22265,11 @@ index = 1648, label = "C5H7-3 + C11H14-2 <=> C16H21-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.1361, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1560,'cm^3/(mol*s)'), n=2.41, Ea=(83.1361,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -32878,18 +22278,11 @@ index = 1649, label = "C6H9-12 + C11H14-2 <=> C17H23-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (533, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.383, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(533,'cm^3/(mol*s)'), n=2.41, Ea=(82.383,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -32898,18 +22291,11 @@ index = 1650, label = "C7H7-3 + C11H14-2 <=> C18H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2060,'cm^3/(mol*s)'), n=2.41, Ea=(54.392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CbHH """, ) @@ -32918,18 +22304,11 @@ index = 1651, label = "C8H9 + C11H14-2 <=> C19H23-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (507, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.505, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(507,'cm^3/(mol*s)'), n=2.41, Ea=(51.505,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -32938,18 +22317,11 @@ index = 1652, label = "C9H11-15 + C11H14-2 <=> C20H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (81.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.2457, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(81.2,'cm^3/(mol*s)'), n=2.41, Ea=(49.2457,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -32958,18 +22330,11 @@ index = 1653, label = "C3H3 + C11H14-2 <=> C14H17-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1910,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CtHH """, ) @@ -32978,18 +22343,11 @@ index = 1654, label = "C4H5-12 + C11H14-2 <=> C15H19-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.4214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(430,'cm^3/(mol*s)'), n=2.41, Ea=(51.4214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -32998,18 +22356,11 @@ index = 1655, label = "C5H7-5 + C11H14-2 <=> C16H21-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(110,'cm^3/(mol*s)'), n=2.41, Ea=(48.5762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -33018,18 +22369,11 @@ index = 1656, label = "C2H3 + C11H14-2 <=> C13H17-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.7986, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2880,'cm^3/(mol*s)'), n=2.41, Ea=(21.7986,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CdsJ-H """, ) @@ -33038,18 +22382,11 @@ index = 1657, label = "C3H5 + C11H14-2 <=> C14H19-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.92, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1530,'cm^3/(mol*s)'), n=2.41, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CdsJ-Cs """, ) @@ -33058,18 +22395,11 @@ index = 1658, label = "C6H5 + C11H14-2 <=> C17H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;CbJ """, ) @@ -33078,18 +22408,11 @@ index = 1659, label = "CH3 + C11H12-4 <=> C12H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7399, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3760,'cm^3/(mol*s)'), n=2.41, Ea=(27.7399,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-HHH """, ) @@ -33098,18 +22421,11 @@ index = 1660, label = "C11H12-4 + C2H5 <=> C13H17-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=2.41, Ea=(25.355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CsHH """, ) @@ -33118,18 +22434,11 @@ index = 1661, label = "C11H12-4 + C3H7-2 <=> C14H19-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (307, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.3761, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(307,'cm^3/(mol*s)'), n=2.41, Ea=(20.3761,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CsCsH """, ) @@ -33138,18 +22447,11 @@ index = 1662, label = "C11H12-4 + C4H9 <=> C15H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (227, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.4348, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(227,'cm^3/(mol*s)'), n=2.41, Ea=(14.4348,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -33158,18 +22460,11 @@ index = 1663, label = "allyl + C11H12-4 <=> C14H17-53", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.0573, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7940,'cm^3/(mol*s)'), n=2.41, Ea=(54.0573,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdHH """, ) @@ -33178,18 +22473,11 @@ index = 1664, label = "C11H12-4 + C4H7-2 <=> C15H19-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (691, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0531, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(691,'cm^3/(mol*s)'), n=2.41, Ea=(53.0531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCsH """, ) @@ -33198,18 +22486,11 @@ index = 1665, label = "C11H12-4 + C5H9 <=> C16H21-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (89.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.9946, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89.4,'cm^3/(mol*s)'), n=2.41, Ea=(48.9946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -33218,18 +22499,11 @@ index = 1666, label = "C11H12-4 + C5H7-3 <=> C16H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.0526, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(73.0526,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCdH """, ) @@ -33238,18 +22512,11 @@ index = 1667, label = "C6H9-12 + C11H12-4 <=> C17H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (476, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.2995, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(476,'cm^3/(mol*s)'), n=2.41, Ea=(72.2995,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -33258,18 +22525,11 @@ index = 1668, label = "C11H12-4 + C7H7-3 <=> C18H19-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3086, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1840,'cm^3/(mol*s)'), n=2.41, Ea=(44.3086,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CbHH """, ) @@ -33278,18 +22538,11 @@ index = 1669, label = "C11H12-4 + C8H9 <=> C19H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (453, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(453,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CbCsH """, ) @@ -33298,18 +22551,11 @@ index = 1670, label = "C11H12-4 + C9H11-15 <=> C20H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.1622, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72.4,'cm^3/(mol*s)'), n=2.41, Ea=(39.1622,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -33318,18 +22564,11 @@ index = 1671, label = "C3H3 + C11H12-4 <=> C14H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3044, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1700,'cm^3/(mol*s)'), n=2.41, Ea=(43.3044,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CtHH """, ) @@ -33338,18 +22577,11 @@ index = 1672, label = "C4H5-12 + C11H12-4 <=> C15H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (384, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.3379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(384,'cm^3/(mol*s)'), n=2.41, Ea=(41.3379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CtCsH """, ) @@ -33358,18 +22590,11 @@ index = 1673, label = "C5H7-5 + C11H12-4 <=> C16H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (97.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(97.9,'cm^3/(mol*s)'), n=2.41, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -33378,18 +22603,11 @@ index = 1674, label = "C2H3 + C11H12-4 <=> C13H15-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2570,'cm^3/(mol*s)'), n=2.41, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CdsJ-H """, ) @@ -33398,18 +22616,11 @@ index = 1675, label = "C3H5 + C11H12-4 <=> C14H17-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.8366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(10.8366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CdsJ-Cs """, ) @@ -33418,18 +22629,11 @@ index = 1676, label = "C11H12-4 + C6H5 <=> C17H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.71544, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4070,'cm^3/(mol*s)'), n=2.41, Ea=(1.71544,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;CbJ """, ) @@ -33438,18 +22642,11 @@ index = 1677, label = "CH3 + C12H14-2 <=> C13H17-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4270,'cm^3/(mol*s)'), n=2.41, Ea=(25.9826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-HHH """, ) @@ -33458,18 +22655,11 @@ index = 1678, label = "C12H14-2 + C2H5 <=> C14H19-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (434, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5978, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(434,'cm^3/(mol*s)'), n=2.41, Ea=(23.5978,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CsHH """, ) @@ -33478,18 +22668,11 @@ index = 1679, label = "C12H14-2 + C3H7-2 <=> C15H21-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (348, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.6188, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=2.41, Ea=(18.6188,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -33498,18 +22681,11 @@ index = 1680, label = "C12H14-2 + C4H9 <=> C16H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (258, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6775, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(258,'cm^3/(mol*s)'), n=2.41, Ea=(12.6775,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -33518,18 +22694,11 @@ index = 1681, label = "allyl + C12H14-2 <=> C15H19-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9020,'cm^3/(mol*s)'), n=2.41, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdHH """, ) @@ -33538,18 +22707,11 @@ index = 1682, label = "C4H7-2 + C12H14-2 <=> C16H21-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (785, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.2958, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(785,'cm^3/(mol*s)'), n=2.41, Ea=(51.2958,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -33558,18 +22720,11 @@ index = 1683, label = "C5H9 + C12H14-2 <=> C17H23-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (101, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2374, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(101,'cm^3/(mol*s)'), n=2.41, Ea=(47.2374,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -33578,18 +22733,11 @@ index = 1684, label = "C5H7-3 + C12H14-2 <=> C17H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1580,'cm^3/(mol*s)'), n=2.41, Ea=(71.2954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -33598,18 +22746,11 @@ index = 1685, label = "C6H9-12 + C12H14-2 <=> C18H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.5422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(540,'cm^3/(mol*s)'), n=2.41, Ea=(70.5422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -33618,18 +22759,11 @@ index = 1686, label = "C12H14-2 + C7H7-3 <=> C19H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5513, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2090,'cm^3/(mol*s)'), n=2.41, Ea=(42.5513,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CbHH """, ) @@ -33638,18 +22772,11 @@ index = 1687, label = "C12H14-2 + C8H9 <=> C20H23-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (514, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(514,'cm^3/(mol*s)'), n=2.41, Ea=(39.6643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -33658,18 +22785,11 @@ index = 1688, label = "C12H14-2 + C9H11-15 <=> C21H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (82.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.405, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(82.2,'cm^3/(mol*s)'), n=2.41, Ea=(37.405,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -33678,18 +22798,11 @@ index = 1689, label = "C3H3 + C12H14-2 <=> C15H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5471, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1930,'cm^3/(mol*s)'), n=2.41, Ea=(41.5471,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CtHH """, ) @@ -33698,18 +22811,11 @@ index = 1690, label = "C4H5-12 + C12H14-2 <=> C16H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (435, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(435,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -33718,18 +22824,11 @@ index = 1691, label = "C5H7-5 + C12H14-2 <=> C17H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (111, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(111,'cm^3/(mol*s)'), n=2.41, Ea=(36.7355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -33738,18 +22837,11 @@ index = 1692, label = "C2H3 + C12H14-2 <=> C14H17-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.95792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2920,'cm^3/(mol*s)'), n=2.41, Ea=(9.95792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CdsJ-H """, ) @@ -33758,18 +22850,11 @@ index = 1693, label = "C3H5 + C12H14-2 <=> C15H19-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.07928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1550,'cm^3/(mol*s)'), n=2.41, Ea=(9.07928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CdsJ-Cs """, ) @@ -33778,18 +22863,11 @@ index = 1694, label = "C12H14-2 + C6H5 <=> C18H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4610,'cm^3/(mol*s)'), n=2.41, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;CbJ """, ) @@ -33798,18 +22876,11 @@ index = 1695, label = "CH3 + C13H14-2 <=> C14H17-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.217, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13000,'cm^3/(mol*s)'), n=2.41, Ea=(22.217,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-HHH """, ) @@ -33818,18 +22889,11 @@ index = 1696, label = "C13H14-2 + C2H5 <=> C15H19-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.8322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(19.8322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CsHH """, ) @@ -33838,18 +22902,11 @@ index = 1697, label = "C13H14-2 + C3H7-2 <=> C16H21-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(14.8114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -33858,18 +22915,11 @@ index = 1698, label = "C13H14-2 + C4H9 <=> C17H23-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (785, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.91192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(785,'cm^3/(mol*s)'), n=2.41, Ea=(8.91192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -33878,18 +22928,11 @@ index = 1699, label = "C13H14-2 + allyl <=> C16H19-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (27400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27400,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdHH """, ) @@ -33898,18 +22941,11 @@ index = 1700, label = "C13H14-2 + C4H7-2 <=> C17H21-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2390,'cm^3/(mol*s)'), n=2.41, Ea=(47.5302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -33918,18 +22954,11 @@ index = 1701, label = "C13H14-2 + C5H9 <=> C18H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (309, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.4718, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(309,'cm^3/(mol*s)'), n=2.41, Ea=(43.4718,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -33938,18 +22967,11 @@ index = 1702, label = "C13H14-2 + C5H7-3 <=> C18H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.5298, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4820,'cm^3/(mol*s)'), n=2.41, Ea=(67.5298,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -33958,18 +22980,11 @@ index = 1703, label = "C6H9-12 + C13H14-2 <=> C19H23-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.7766, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.41, Ea=(66.7766,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -33978,18 +22993,11 @@ index = 1704, label = "C13H14-2 + C7H7-3 <=> C20H21-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7857, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6370,'cm^3/(mol*s)'), n=2.41, Ea=(38.7857,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CbHH """, ) @@ -33998,18 +23006,11 @@ index = 1705, label = "C13H14-2 + C8H9 <=> C21H23-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8987, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1570,'cm^3/(mol*s)'), n=2.41, Ea=(35.8987,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -34018,18 +23019,11 @@ index = 1706, label = "C13H14-2 + C9H11-15 <=> C22H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (251, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6394, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(251,'cm^3/(mol*s)'), n=2.41, Ea=(33.6394,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -34038,18 +23032,11 @@ index = 1707, label = "C3H3 + C13H14-2 <=> C16H17-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5890,'cm^3/(mol*s)'), n=2.41, Ea=(37.7815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CtHH """, ) @@ -34058,18 +23045,11 @@ index = 1708, label = "C4H5-12 + C13H14-2 <=> C17H19-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1330,'cm^3/(mol*s)'), n=2.41, Ea=(35.815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -34078,18 +23058,11 @@ index = 1709, label = "C5H7-5 + C13H14-2 <=> C18H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (339, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9699, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(339,'cm^3/(mol*s)'), n=2.41, Ea=(32.9699,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -34098,18 +23071,11 @@ index = 1710, label = "C2H3 + C13H14-2 <=> C15H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8900,'cm^3/(mol*s)'), n=2.41, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CdsJ-H """, ) @@ -34118,18 +23084,11 @@ index = 1711, label = "C3H5 + C13H14-2 <=> C16H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4720,'cm^3/(mol*s)'), n=2.41, Ea=(5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CdsJ-Cs """, ) @@ -34138,18 +23097,11 @@ index = 1712, label = "C13H14-2 + C6H5 <=> C19H19-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.80744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14100,'cm^3/(mol*s)'), n=2.41, Ea=(-3.80744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;CbJ """, ) @@ -34158,18 +23110,11 @@ index = 1713, label = "CH3 + C15H14-2 <=> C16H17-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0619, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(35.0619,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-HHH """, ) @@ -34178,18 +23123,11 @@ index = 1714, label = "C2H5 + C15H14-2 <=> C17H19-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (125, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.677, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(125,'cm^3/(mol*s)'), n=2.41, Ea=(32.677,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CsHH """, ) @@ -34198,18 +23136,11 @@ index = 1715, label = "C15H14-2 + C3H7-2 <=> C18H21-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.6981, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100,'cm^3/(mol*s)'), n=2.41, Ea=(27.6981,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CsCsH """, ) @@ -34218,18 +23149,11 @@ index = 1716, label = "C15H14-2 + C4H9 <=> C19H23-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (74.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.7568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(74.1,'cm^3/(mol*s)'), n=2.41, Ea=(21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -34238,18 +23162,11 @@ index = 1717, label = "allyl + C15H14-2 <=> C18H19-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.3793, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(61.3793,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdHH """, ) @@ -34258,18 +23175,11 @@ index = 1718, label = "C4H7-2 + C15H14-2 <=> C19H21-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (226, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.3751, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(226,'cm^3/(mol*s)'), n=2.41, Ea=(60.3751,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCsH """, ) @@ -34278,18 +23188,11 @@ index = 1719, label = "C5H9 + C15H14-2 <=> C20H23-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.3166, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29.2,'cm^3/(mol*s)'), n=2.41, Ea=(56.3166,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -34298,18 +23201,11 @@ index = 1720, label = "C5H7-3 + C15H14-2 <=> C20H21-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (455, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.4165, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(455,'cm^3/(mol*s)'), n=2.41, Ea=(80.4165,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCdH """, ) @@ -34318,18 +23214,11 @@ index = 1721, label = "C6H9-12 + C15H14-2 <=> C21H23-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (155, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.6634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(155,'cm^3/(mol*s)'), n=2.41, Ea=(79.6634,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -34338,18 +23227,11 @@ index = 1722, label = "C7H7-3 + C15H14-2 <=> C22H21-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (601, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.6724, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(601,'cm^3/(mol*s)'), n=2.41, Ea=(51.6724,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CbHH """, ) @@ -34358,18 +23240,11 @@ index = 1723, label = "C15H14-2 + C8H9 <=> C23H23-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (148, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7436, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(148,'cm^3/(mol*s)'), n=2.41, Ea=(48.7436,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CbCsH """, ) @@ -34378,18 +23253,11 @@ index = 1724, label = "C15H14-2 + C9H11-15 <=> C24H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4842, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23.6,'cm^3/(mol*s)'), n=2.41, Ea=(46.4842,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -34398,18 +23266,11 @@ index = 1725, label = "C3H3 + C15H14-2 <=> C18H17-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (555, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.6264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(555,'cm^3/(mol*s)'), n=2.41, Ea=(50.6264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CtHH """, ) @@ -34418,18 +23279,11 @@ index = 1726, label = "C4H5-12 + C15H14-2 <=> C19H19-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (125, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(125,'cm^3/(mol*s)'), n=2.41, Ea=(48.7018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CtCsH """, ) @@ -34438,18 +23292,11 @@ index = 1727, label = "C5H7-5 + C15H14-2 <=> C20H21-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8148, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32,'cm^3/(mol*s)'), n=2.41, Ea=(45.8148,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -34458,18 +23305,11 @@ index = 1728, label = "C2H3 + C15H14-2 <=> C17H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.0372, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(840,'cm^3/(mol*s)'), n=2.41, Ea=(19.0372,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CdsJ-H """, ) @@ -34478,18 +23318,11 @@ index = 1729, label = "C3H5 + C15H14-2 <=> C18H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (445, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.1586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(445,'cm^3/(mol*s)'), n=2.41, Ea=(18.1586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CdsJ-Cs """, ) @@ -34498,18 +23331,11 @@ index = 1730, label = "C6H5 + C15H14-2 <=> C21H19-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.07928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1330,'cm^3/(mol*s)'), n=2.41, Ea=(9.07928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;CbJ """, ) @@ -34518,18 +23344,11 @@ index = 1731, label = "CH3 + C16H16 <=> C17H19-26", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3925, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5200,'cm^3/(mol*s)'), n=2.41, Ea=(34.3925,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-HHH """, ) @@ -34538,18 +23357,11 @@ index = 1732, label = "C2H5 + C16H16 <=> C18H21-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (530, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(530,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CsHH """, ) @@ -34558,18 +23370,11 @@ index = 1733, label = "C16H16 + C3H7-2 <=> C19H23-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (424, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(424,'cm^3/(mol*s)'), n=2.41, Ea=(27.0286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -34578,18 +23383,11 @@ index = 1734, label = "C16H16 + C4H9 <=> C20H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (314, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(314,'cm^3/(mol*s)'), n=2.41, Ea=(21.0874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -34598,18 +23396,11 @@ index = 1735, label = "allyl + C16H16 <=> C19H21-12", degeneracy = 4.0, - kinetics = Arrhenius( - A = (11000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7098, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11000,'cm^3/(mol*s)'), n=2.41, Ea=(60.7098,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdHH """, ) @@ -34618,18 +23409,11 @@ index = 1736, label = "C4H7-2 + C16H16 <=> C20H23-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (958, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(958,'cm^3/(mol*s)'), n=2.41, Ea=(59.7057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -34638,18 +23422,11 @@ index = 1737, label = "C5H9 + C16H16 <=> C21H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (123.8, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.6472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123.8,'cm^3/(mol*s)'), n=2.41, Ea=(55.6472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -34658,18 +23435,11 @@ index = 1738, label = "C5H7-3 + C16H16 <=> C21H23-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.747, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1930,'cm^3/(mol*s)'), n=2.41, Ea=(79.747,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -34678,18 +23448,11 @@ index = 1739, label = "C6H9-12 + C16H16 <=> C22H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (658, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.9939, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(658,'cm^3/(mol*s)'), n=2.41, Ea=(78.9939,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -34698,18 +23461,11 @@ index = 1740, label = "C7H7-3 + C16H16 <=> C23H23-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2540,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CbHH """, ) @@ -34718,18 +23474,11 @@ index = 1741, label = "C8H9 + C16H16 <=> C24H25-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (626, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0742, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(626,'cm^3/(mol*s)'), n=2.41, Ea=(48.0742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -34738,18 +23487,11 @@ index = 1742, label = "C16H16 + C9H11-15 <=> C25H27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (100.2, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.8148, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100.2,'cm^3/(mol*s)'), n=2.41, Ea=(45.8148,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -34758,18 +23500,11 @@ index = 1743, label = "C3H3 + C16H16 <=> C19H19-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.957, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(49.957,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CtHH """, ) @@ -34778,18 +23513,11 @@ index = 1744, label = "C4H5-12 + C16H16 <=> C20H21-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (532, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(532,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -34798,18 +23526,11 @@ index = 1745, label = "C5H7-5 + C16H16 <=> C21H23-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (135.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1454, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135.6,'cm^3/(mol*s)'), n=2.41, Ea=(45.1454,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -34818,18 +23539,11 @@ index = 1746, label = "C2H3 + C16H16 <=> C18H19-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.3678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3560,'cm^3/(mol*s)'), n=2.41, Ea=(18.3678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CdsJ-H """, ) @@ -34838,18 +23552,11 @@ index = 1747, label = "C3H5 + C16H16 <=> C19H21-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.4891, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1890,'cm^3/(mol*s)'), n=2.41, Ea=(17.4891,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CdsJ-Cs """, ) @@ -34858,18 +23565,11 @@ index = 1748, label = "C6H5 + C16H16 <=> C22H21-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5620,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;CbJ """, ) @@ -34878,18 +23578,11 @@ index = 1749, label = "C11H10-2 + CH3 <=> C12H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0705, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4880,'cm^3/(mol*s)'), n=2.41, Ea=(27.0705,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-HHH """, ) @@ -34898,18 +23591,11 @@ index = 1750, label = "C11H10-2 + C2H5 <=> C13H15-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (495, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(495,'cm^3/(mol*s)'), n=2.41, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CsHH """, ) @@ -34918,18 +23604,11 @@ index = 1751, label = "C11H10-2 + C3H7-2 <=> C14H17-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (397, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(397,'cm^3/(mol*s)'), n=2.41, Ea=(19.7066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CsCsH """, ) @@ -34938,18 +23617,11 @@ index = 1752, label = "C11H10-2 + C4H9 <=> C15H19-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.7654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(13.7654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -34958,18 +23630,11 @@ index = 1753, label = "C11H10-2 + allyl <=> C14H15-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10300,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdHH """, ) @@ -34978,18 +23643,11 @@ index = 1754, label = "C11H10-2 + C4H7-2 <=> C15H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (896, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3837, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(896,'cm^3/(mol*s)'), n=2.41, Ea=(52.3837,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCsH """, ) @@ -34998,18 +23656,11 @@ index = 1755, label = "C11H10-2 + C5H9 <=> C16H19-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (116, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.3252, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(116,'cm^3/(mol*s)'), n=2.41, Ea=(48.3252,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -35018,18 +23669,11 @@ index = 1756, label = "C11H10-2 + C5H7-3 <=> C16H17-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.425, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(72.425,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCdH """, ) @@ -35038,18 +23682,11 @@ index = 1757, label = "C11H10-2 + C6H9-12 <=> C17H19-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (617, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.6719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(617,'cm^3/(mol*s)'), n=2.41, Ea=(71.6719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -35058,18 +23695,11 @@ index = 1758, label = "C11H10-2 + C7H7-3 <=> C18H17-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2390,'cm^3/(mol*s)'), n=2.41, Ea=(43.681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CbHH """, ) @@ -35078,18 +23708,11 @@ index = 1759, label = "C11H10-2 + C8H9 <=> C19H19-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (587, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7522, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(587,'cm^3/(mol*s)'), n=2.41, Ea=(40.7522,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CbCsH """, ) @@ -35098,18 +23721,11 @@ index = 1760, label = "C11H10-2 + C9H11-15 <=> C20H21-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.9, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.9,'cm^3/(mol*s)'), n=2.41, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -35118,18 +23734,11 @@ index = 1761, label = "C11H10-2 + C3H3 <=> C14H13-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.635, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2210,'cm^3/(mol*s)'), n=2.41, Ea=(42.635,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CtHH """, ) @@ -35138,18 +23747,11 @@ index = 1762, label = "C11H10-2 + C4H5-12 <=> C15H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (497, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(497,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CtCsH """, ) @@ -35158,18 +23760,11 @@ index = 1763, label = "C5H7-5 + C11H10-2 <=> C16H17-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (127, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8652, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(127,'cm^3/(mol*s)'), n=2.41, Ea=(37.8652,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -35178,18 +23773,11 @@ index = 1764, label = "C11H10-2 + C2H3 <=> C13H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3340,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CdsJ-H """, ) @@ -35198,18 +23786,11 @@ index = 1765, label = "C11H10-2 + C3H5 <=> C14H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.1671, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(10.1671,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CdsJ-Cs """, ) @@ -35218,18 +23799,11 @@ index = 1766, label = "C11H10-2 + C6H5 <=> C17H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5270, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.08784, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5270,'cm^3/(mol*s)'), n=2.41, Ea=(1.08784,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;CbJ """, ) @@ -35238,18 +23812,11 @@ index = 1767, label = "C12H12-3 + CH3 <=> C13H15-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4990,'cm^3/(mol*s)'), n=2.41, Ea=(26.7358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-HHH """, ) @@ -35258,18 +23825,11 @@ index = 1768, label = "C12H12-3 + C2H5 <=> C14H17-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (507, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(507,'cm^3/(mol*s)'), n=2.41, Ea=(24.3509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CsHH """, ) @@ -35278,18 +23838,11 @@ index = 1769, label = "C12H12-3 + C3H7-2 <=> C15H19-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (407, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(407,'cm^3/(mol*s)'), n=2.41, Ea=(19.3719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -35298,18 +23851,11 @@ index = 1770, label = "C12H12-3 + C4H9 <=> C16H21-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (301, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4306, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(301,'cm^3/(mol*s)'), n=2.41, Ea=(13.4306,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -35318,18 +23864,11 @@ index = 1771, label = "C12H12-3 + allyl <=> C15H17-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0531, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10540,'cm^3/(mol*s)'), n=2.41, Ea=(53.0531,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdHH """, ) @@ -35338,18 +23877,11 @@ index = 1772, label = "C12H12-3 + C4H7-2 <=> C16H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (918, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(918,'cm^3/(mol*s)'), n=2.41, Ea=(52.049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -35358,18 +23890,11 @@ index = 1773, label = "C12H12-3 + C5H9 <=> C17H21-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (119, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9905, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(119,'cm^3/(mol*s)'), n=2.41, Ea=(47.9905,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -35378,18 +23903,11 @@ index = 1774, label = "C12H12-3 + C5H7-3 <=> C17H19-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.0485, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(72.0485,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -35398,18 +23916,11 @@ index = 1775, label = "C12H12-3 + C6H9-12 <=> C18H21-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (632, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(632,'cm^3/(mol*s)'), n=2.41, Ea=(71.2954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -35418,18 +23929,11 @@ index = 1776, label = "C12H12-3 + C7H7-3 <=> C19H19-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3044, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(43.3044,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CbHH """, ) @@ -35438,18 +23942,11 @@ index = 1777, label = "C12H12-3 + C8H9 <=> C20H21-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (601, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(601,'cm^3/(mol*s)'), n=2.41, Ea=(40.4174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -35458,18 +23955,11 @@ index = 1778, label = "C12H12-3 + C9H11-15 <=> C21H23-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (96.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1581, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(96.1,'cm^3/(mol*s)'), n=2.41, Ea=(38.1581,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -35478,18 +23968,11 @@ index = 1779, label = "C3H3 + C12H12-3 <=> C15H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.3002, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2260,'cm^3/(mol*s)'), n=2.41, Ea=(42.3002,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CtHH """, ) @@ -35498,18 +23981,11 @@ index = 1780, label = "C4H5-12 + C12H12-3 <=> C16H17-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (509, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3338, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(509,'cm^3/(mol*s)'), n=2.41, Ea=(40.3338,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -35518,18 +23994,11 @@ index = 1781, label = "C12H12-3 + C5H7-5 <=> C17H19-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.4886, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(37.4886,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -35538,18 +24007,11 @@ index = 1782, label = "C12H12-3 + C2H3 <=> C14H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.711, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3420,'cm^3/(mol*s)'), n=2.41, Ea=(10.711,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CdsJ-H """, ) @@ -35558,18 +24020,11 @@ index = 1783, label = "C12H12-3 + C3H5 <=> C15H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1810,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CdsJ-Cs """, ) @@ -35578,18 +24033,11 @@ index = 1784, label = "C12H12-3 + C6H5 <=> C18H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.71128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5400,'cm^3/(mol*s)'), n=2.41, Ea=(0.71128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;CbJ """, ) @@ -35598,18 +24046,11 @@ index = 1785, label = "CH3 + C10H10-17 <=> C11H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.0952, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3600,'cm^3/(mol*s)'), n=2.41, Ea=(43.0952,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-HHH """, ) @@ -35618,18 +24059,11 @@ index = 1786, label = "C10H10-17 + C2H5 <=> C12H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (366, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(366,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CsHH """, ) @@ -35638,18 +24072,11 @@ index = 1787, label = "C10H10-17 + C3H7-2 <=> C13H17-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7314, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294,'cm^3/(mol*s)'), n=2.41, Ea=(35.7314,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CsCsH """, ) @@ -35658,18 +24085,11 @@ index = 1788, label = "C10H10-17 + C4H9 <=> C14H19-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (217, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7901, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(217,'cm^3/(mol*s)'), n=2.41, Ea=(29.7901,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CsCsCs """, ) @@ -35678,18 +24098,11 @@ index = 1789, label = "C10H10-17 + allyl <=> C13H15-47", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.4126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(69.4126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdHH """, ) @@ -35698,18 +24111,11 @@ index = 1790, label = "C10H10-17 + C4H7-2 <=> C14H17-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (662, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.4084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(662,'cm^3/(mol*s)'), n=2.41, Ea=(68.4084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCsH """, ) @@ -35718,18 +24124,11 @@ index = 1791, label = "C10H10-17 + C5H9 <=> C15H19-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (85.6, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.3499, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(85.6,'cm^3/(mol*s)'), n=2.41, Ea=(64.3499,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCsCs """, ) @@ -35738,18 +24137,11 @@ index = 1792, label = "C10H10-17 + C5H7-3 <=> C15H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (88.4498, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(88.4498,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCdH """, ) @@ -35758,18 +24150,11 @@ index = 1793, label = "C10H10-17 + C6H9-12 <=> C16H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (456, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (87.6548, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(456,'cm^3/(mol*s)'), n=2.41, Ea=(87.6548,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CdCdCs """, ) @@ -35778,18 +24163,11 @@ index = 1794, label = "C10H10-17 + C7H7-3 <=> C17H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.7057, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(59.7057,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CbHH """, ) @@ -35798,18 +24176,11 @@ index = 1795, label = "C10H10-17 + C8H9 <=> C18H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (434, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.7769, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(434,'cm^3/(mol*s)'), n=2.41, Ea=(56.7769,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CbCsH """, ) @@ -35818,18 +24189,11 @@ index = 1796, label = "C10H10-17 + C9H11-15 <=> C19H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (69.4, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.5175, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(69.4,'cm^3/(mol*s)'), n=2.41, Ea=(54.5175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CbCsCs """, ) @@ -35838,18 +24202,11 @@ index = 1797, label = "C3H3 + C10H10-17 <=> C13H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.6597, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(58.6597,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CtHH """, ) @@ -35858,18 +24215,11 @@ index = 1798, label = "C4H5-12 + C10H10-17 <=> C14H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (367, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.735, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(367,'cm^3/(mol*s)'), n=2.41, Ea=(56.735,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CtCsH """, ) @@ -35878,18 +24228,11 @@ index = 1799, label = "C5H7-5 + C10H10-17 <=> C15H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (93.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.8481, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93.7,'cm^3/(mol*s)'), n=2.41, Ea=(53.8481,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CsJ-CtCsCs """, ) @@ -35898,18 +24241,11 @@ index = 1800, label = "C2H3 + C10H10-17 <=> C12H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.0705, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2460,'cm^3/(mol*s)'), n=2.41, Ea=(27.0705,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CdsJ-H """, ) @@ -35918,18 +24254,11 @@ index = 1801, label = "C10H10-17 + C3H5 <=> C13H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(26.1918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CdsJ-Cs """, ) @@ -35938,18 +24267,11 @@ index = 1802, label = "C10H10-17 + C6H5 <=> C16H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.1126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3890,'cm^3/(mol*s)'), n=2.41, Ea=(17.1126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;CbJ """, ) @@ -35958,18 +24280,11 @@ index = 1803, label = "C4H4-4 + CH3 <=> C5H7-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-HHH """, ) @@ -35978,18 +24293,11 @@ index = 1804, label = "C4H4-4 + C2H5 <=> C6H9-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.8111, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1480,'cm^3/(mol*s)'), n=2.41, Ea=(24.8111,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CsHH """, ) @@ -35998,18 +24306,11 @@ index = 1805, label = "C4H4-4 + C3H7-2 <=> C7H11-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7903, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(19.7903,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CsCsH """, ) @@ -36018,18 +24319,11 @@ index = 1806, label = "C4H4-4 + C4H9 <=> C8H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.8909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(880,'cm^3/(mol*s)'), n=2.41, Ea=(13.8909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CsCsCs """, ) @@ -36038,18 +24332,11 @@ index = 1807, label = "C4H4-4 + allyl <=> C7H9-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (30800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.4715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30800,'cm^3/(mol*s)'), n=2.41, Ea=(53.4715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdHH """, ) @@ -36058,18 +24345,11 @@ index = 1808, label = "C4H4-4 + C4H7-2 <=> C8H11-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.4674, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(52.4674,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCsH """, ) @@ -36078,18 +24358,11 @@ index = 1809, label = "C4H4-4 + C5H9 <=> C9H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (347, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4089, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(347,'cm^3/(mol*s)'), n=2.41, Ea=(48.4089,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCsCs """, ) @@ -36098,18 +24371,11 @@ index = 1810, label = "C4H4-4 + C5H7-3 <=> C9H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.5087, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(72.5087,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCdH """, ) @@ -36118,18 +24384,11 @@ index = 1811, label = "C4H4-4 + C6H9-12 <=> C10H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.7556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(71.7556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CdCdCs """, ) @@ -36138,18 +24397,11 @@ index = 1812, label = "C4H4-4 + C7H7-3 <=> C11H11-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7140,'cm^3/(mol*s)'), n=2.41, Ea=(43.7646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CbHH """, ) @@ -36158,18 +24410,11 @@ index = 1813, label = "C4H4-4 + C8H9 <=> C12H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CbCsH """, ) @@ -36178,18 +24423,11 @@ index = 1814, label = "C4H4-4 + C9H11-15 <=> C13H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (281, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.5765, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(281,'cm^3/(mol*s)'), n=2.41, Ea=(38.5765,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CbCsCs """, ) @@ -36198,18 +24436,11 @@ index = 1815, label = "C3H3 + C4H4-4 <=> C7H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.7186, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6600,'cm^3/(mol*s)'), n=2.41, Ea=(42.7186,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CtHH """, ) @@ -36218,18 +24449,11 @@ index = 1816, label = "C4H4-4 + C4H5-12 <=> C8H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(40.794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CtCsH """, ) @@ -36238,18 +24462,11 @@ index = 1817, label = "C5H7-5 + C4H4-4 <=> C9H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9489, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(380,'cm^3/(mol*s)'), n=2.41, Ea=(37.9489,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CsJ-CtCsCs """, ) @@ -36258,18 +24475,11 @@ index = 1818, label = "C4H4-4 + C2H3 <=> C6H7-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.1713, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9980,'cm^3/(mol*s)'), n=2.41, Ea=(11.1713,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CdsJ-H """, ) @@ -36278,18 +24488,11 @@ index = 1819, label = "C4H4-4 + C3H5 <=> C7H9-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5290,'cm^3/(mol*s)'), n=2.41, Ea=(10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CdsJ-Cs """, ) @@ -36298,18 +24501,11 @@ index = 1820, label = "C4H4-4 + C6H5 <=> C10H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.17152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(1.17152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;CbJ """, ) @@ -36318,18 +24514,11 @@ index = 1821, label = "C5H6-6 + CH3 <=> C6H9-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8571, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.41, Ea=(25.8571,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-HHH """, ) @@ -36338,18 +24527,11 @@ index = 1822, label = "C5H6-6 + C2H5 <=> C7H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.4722, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(23.4722,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CsHH """, ) @@ -36358,18 +24540,11 @@ index = 1823, label = "C5H6-6 + C3H7-2 <=> C8H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1190, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4933, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1190,'cm^3/(mol*s)'), n=2.41, Ea=(18.4933,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CsCsH """, ) @@ -36378,18 +24553,11 @@ index = 1824, label = "C5H6-6 + C4H9 <=> C9H15-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (884, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(884,'cm^3/(mol*s)'), n=2.41, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CsCsCs """, ) @@ -36398,18 +24566,11 @@ index = 1825, label = "C5H6-6 + allyl <=> C8H11-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (31000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.1745, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31000,'cm^3/(mol*s)'), n=2.41, Ea=(52.1745,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdHH """, ) @@ -36418,18 +24579,11 @@ index = 1826, label = "C5H6-6 + C4H7-2 <=> C9H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.1703, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2690,'cm^3/(mol*s)'), n=2.41, Ea=(51.1703,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCsH """, ) @@ -36438,18 +24592,11 @@ index = 1827, label = "C5H6-6 + C5H9 <=> C10H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (348, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1118, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(348,'cm^3/(mol*s)'), n=2.41, Ea=(47.1118,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCsCs """, ) @@ -36458,18 +24605,11 @@ index = 1828, label = "C5H6-6 + C5H7-3 <=> C10H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.2117, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5430,'cm^3/(mol*s)'), n=2.41, Ea=(71.2117,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCdH """, ) @@ -36478,18 +24618,11 @@ index = 1829, label = "C5H6-6 + C6H9-12 <=> C11H15-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.4586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1850,'cm^3/(mol*s)'), n=2.41, Ea=(70.4586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CdCdCs """, ) @@ -36498,18 +24631,11 @@ index = 1830, label = "C5H6-6 + C7H7-3 <=> C12H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.4676, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7170,'cm^3/(mol*s)'), n=2.41, Ea=(42.4676,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CbHH """, ) @@ -36518,18 +24644,11 @@ index = 1831, label = "C5H6-6 + C8H9 <=> C13H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5388, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(39.5388,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CbCsH """, ) @@ -36538,18 +24657,11 @@ index = 1832, label = "C5H6-6 + C9H11-15 <=> C14H17-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (282, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282,'cm^3/(mol*s)'), n=2.41, Ea=(37.2794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CbCsCs """, ) @@ -36558,18 +24670,11 @@ index = 1833, label = "C5H6-6 + C3H3 <=> C8H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.4216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6630,'cm^3/(mol*s)'), n=2.41, Ea=(41.4216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CtHH """, ) @@ -36578,18 +24683,11 @@ index = 1834, label = "C4H5-12 + C5H6-6 <=> C9H11-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CtCsH """, ) @@ -36598,18 +24696,11 @@ index = 1835, label = "C5H7-5 + C5H6-6 <=> C10H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (381, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.61, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(381,'cm^3/(mol*s)'), n=2.41, Ea=(36.61,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CsJ-CtCsCs """, ) @@ -36618,18 +24709,11 @@ index = 1836, label = "C5H6-6 + C2H3 <=> C7H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CdsJ-H """, ) @@ -36638,18 +24722,11 @@ index = 1837, label = "C5H6-6 + C3H5 <=> C8H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.95376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5310,'cm^3/(mol*s)'), n=2.41, Ea=(8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CdsJ-Cs """, ) @@ -36658,18 +24735,11 @@ index = 1838, label = "C5H6-6 + C6H5 <=> C11H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.12552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(-0.12552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;CbJ """, ) @@ -36678,18 +24748,11 @@ index = 1839, label = "C6H8-12 + CH3 <=> C7H11-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18400,'cm^3/(mol*s)'), n=2.41, Ea=(24.2672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-HHH """, ) @@ -36698,18 +24761,11 @@ index = 1840, label = "C6H8-12 + C2H5 <=> C8H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.8823, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1870,'cm^3/(mol*s)'), n=2.41, Ea=(21.8823,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CsHH """, ) @@ -36718,18 +24774,11 @@ index = 1841, label = "C6H8-12 + C3H7-2 <=> C9H15-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1500,'cm^3/(mol*s)'), n=2.41, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CsCsH """, ) @@ -36738,18 +24787,11 @@ index = 1842, label = "C6H8-12 + C4H9 <=> C10H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CsCsCs """, ) @@ -36758,18 +24800,11 @@ index = 1843, label = "C6H8-12 + allyl <=> C9H13-47", degeneracy = 2.0, - kinetics = Arrhenius( - A = (38800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.5846, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(38800,'cm^3/(mol*s)'), n=2.41, Ea=(50.5846,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdHH """, ) @@ -36778,18 +24813,11 @@ index = 1844, label = "C6H8-12 + C4H7-2 <=> C10H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5804, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(49.5804,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCsH """, ) @@ -36798,18 +24826,11 @@ index = 1845, label = "C6H8-12 + C5H9 <=> C11H17-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (438, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.4801, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(438,'cm^3/(mol*s)'), n=2.41, Ea=(45.4801,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCsCs """, ) @@ -36818,18 +24839,11 @@ index = 1846, label = "C6H8-12 + C5H7-3 <=> C11H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.5799, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6830,'cm^3/(mol*s)'), n=2.41, Ea=(69.5799,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCdH """, ) @@ -36838,18 +24852,11 @@ index = 1847, label = "C6H8-12 + C6H9-12 <=> C12H17-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.8268, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(68.8268,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CdCdCs """, ) @@ -36858,18 +24865,11 @@ index = 1848, label = "C6H8-12 + C7H7-3 <=> C13H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9020,'cm^3/(mol*s)'), n=2.41, Ea=(40.8358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CbHH """, ) @@ -36878,18 +24878,11 @@ index = 1849, label = "C6H8-12 + C8H9 <=> C14H17-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9489, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2220,'cm^3/(mol*s)'), n=2.41, Ea=(37.9489,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CbCsH """, ) @@ -36898,18 +24891,11 @@ index = 1850, label = "C6H8-12 + C9H11-15 <=> C15H19-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (355, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(355,'cm^3/(mol*s)'), n=2.41, Ea=(35.6895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CbCsCs """, ) @@ -36918,18 +24904,11 @@ index = 1851, label = "C3H3 + C6H8-12 <=> C9H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8317, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8340,'cm^3/(mol*s)'), n=2.41, Ea=(39.8317,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CtHH """, ) @@ -36938,18 +24917,11 @@ index = 1852, label = "C4H5-12 + C6H8-12 <=> C10H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.8652, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1880,'cm^3/(mol*s)'), n=2.41, Ea=(37.8652,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CtCsH """, ) @@ -36958,18 +24930,11 @@ index = 1853, label = "C5H7-5 + C6H8-12 <=> C11H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0201, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(480,'cm^3/(mol*s)'), n=2.41, Ea=(35.0201,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CsJ-CtCsCs """, ) @@ -36978,18 +24943,11 @@ index = 1854, label = "C6H8-12 + C2H3 <=> C8H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.24248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12600,'cm^3/(mol*s)'), n=2.41, Ea=(8.24248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CdsJ-H """, ) @@ -36998,18 +24956,11 @@ index = 1855, label = "C6H8-12 + C3H5 <=> C9H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.322, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6690,'cm^3/(mol*s)'), n=2.41, Ea=(7.322,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CdsJ-Cs """, ) @@ -37018,18 +24969,11 @@ index = 1856, label = "C6H8-12 + C6H5 <=> C12H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.75728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19900,'cm^3/(mol*s)'), n=2.41, Ea=(-1.75728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;CbJ """, ) @@ -37038,18 +24982,11 @@ index = 1857, label = "C6H6-7 + CH3 <=> C7H9-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16400,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-HHH """, ) @@ -37058,18 +24995,11 @@ index = 1858, label = "C6H6-7 + C2H5 <=> C8H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1670,'cm^3/(mol*s)'), n=2.41, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CsHH """, ) @@ -37078,18 +25008,11 @@ index = 1859, label = "C6H6-7 + C3H7-2 <=> C9H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.77808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1340,'cm^3/(mol*s)'), n=2.41, Ea=(6.77808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CsCsH """, ) @@ -37098,18 +25021,11 @@ index = 1860, label = "C6H6-7 + C4H9 <=> C10H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (993, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(993,'cm^3/(mol*s)'), n=2.41, Ea=(0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CsCsCs """, ) @@ -37118,18 +25034,11 @@ index = 1861, label = "C6H6-7 + allyl <=> C9H11-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (34800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34800,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdHH """, ) @@ -37138,18 +25047,11 @@ index = 1862, label = "C6H6-7 + C4H7-2 <=> C10H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3020,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCsH """, ) @@ -37158,18 +25060,11 @@ index = 1863, label = "C6H6-7 + C5H9 <=> C11H15-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (391, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4385, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(391,'cm^3/(mol*s)'), n=2.41, Ea=(35.4385,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCsCs """, ) @@ -37178,18 +25073,11 @@ index = 1864, label = "C6H6-7 + C5H7-3 <=> C11H13-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.4965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6100,'cm^3/(mol*s)'), n=2.41, Ea=(59.4965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCdH """, ) @@ -37198,18 +25086,11 @@ index = 1865, label = "C6H6-7 + C6H9-12 <=> C12H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.7434, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2080,'cm^3/(mol*s)'), n=2.41, Ea=(58.7434,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CdCdCs """, ) @@ -37218,18 +25099,11 @@ index = 1866, label = "C6H6-7 + C7H7-3 <=> C13H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8050, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8050,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CbHH """, ) @@ -37238,18 +25112,11 @@ index = 1867, label = "C6H6-7 + C8H9 <=> C14H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.8654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(27.8654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CbCsH """, ) @@ -37258,18 +25125,11 @@ index = 1868, label = "C6H6-7 + C9H11-15 <=> C15H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (317, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.6061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(317,'cm^3/(mol*s)'), n=2.41, Ea=(25.6061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CbCsCs """, ) @@ -37278,18 +25138,11 @@ index = 1869, label = "C3H3 + C6H6-7 <=> C9H9-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7440,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CtHH """, ) @@ -37298,18 +25151,11 @@ index = 1870, label = "C6H6-7 + C4H5-12 <=> C10H11-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=2.41, Ea=(27.7818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CtCsH """, ) @@ -37318,18 +25164,11 @@ index = 1871, label = "C6H6-7 + C5H7-5 <=> C11H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (428, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(428,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CsJ-CtCsCs """, ) @@ -37338,18 +25177,11 @@ index = 1872, label = "C6H6-7 + C2H3 <=> C8H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.84096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(-1.84096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CdsJ-H """, ) @@ -37358,18 +25190,11 @@ index = 1873, label = "C6H6-7 + C3H5 <=> C9H11-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5970, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.7196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5970,'cm^3/(mol*s)'), n=2.41, Ea=(-2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CdsJ-Cs """, ) @@ -37378,18 +25203,11 @@ index = 1874, label = "C6H6-7 + C6H5 <=> C12H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.8407, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17800,'cm^3/(mol*s)'), n=2.41, Ea=(-11.8407,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;CbJ """, ) @@ -37398,18 +25216,11 @@ index = 1875, label = "C7H8-19 + CH3 <=> C8H11-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.4265, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18700,'cm^3/(mol*s)'), n=2.41, Ea=(12.4265,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-HHH """, ) @@ -37418,18 +25229,11 @@ index = 1876, label = "C7H8-19 + C2H5 <=> C9H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.0416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CsHH """, ) @@ -37438,18 +25242,11 @@ index = 1877, label = "C7H8-19 + C3H7-2 <=> C10H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1520,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CsCsH """, ) @@ -37458,18 +25255,11 @@ index = 1878, label = "C7H8-19 + C4H9 <=> C11H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1130,'cm^3/(mol*s)'), n=2.41, Ea=(-0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CsCsCs """, ) @@ -37478,18 +25268,11 @@ index = 1879, label = "C7H8-19 + allyl <=> C10H13-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (39400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.7438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39400,'cm^3/(mol*s)'), n=2.41, Ea=(38.7438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdHH """, ) @@ -37498,18 +25281,11 @@ index = 1880, label = "C7H8-19 + C4H7-2 <=> C11H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7397, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3430,'cm^3/(mol*s)'), n=2.41, Ea=(37.7397,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCsH """, ) @@ -37518,18 +25294,11 @@ index = 1881, label = "C7H8-19 + C5H9 <=> C12H17-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (444, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.6812, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(444,'cm^3/(mol*s)'), n=2.41, Ea=(33.6812,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCsCs """, ) @@ -37538,18 +25307,11 @@ index = 1882, label = "C7H8-19 + C5H7-3 <=> C12H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.7392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6920,'cm^3/(mol*s)'), n=2.41, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCdH """, ) @@ -37558,18 +25320,11 @@ index = 1883, label = "C7H8-19 + C6H9-12 <=> C13H17-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.9861, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2360,'cm^3/(mol*s)'), n=2.41, Ea=(56.9861,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CdCdCs """, ) @@ -37578,18 +25333,11 @@ index = 1884, label = "C7H8-19 + C7H7-3 <=> C14H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.9951, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9140,'cm^3/(mol*s)'), n=2.41, Ea=(28.9951,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CbHH """, ) @@ -37598,18 +25346,11 @@ index = 1885, label = "C7H8-19 + C8H9 <=> C15H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.1082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2250,'cm^3/(mol*s)'), n=2.41, Ea=(26.1082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CbCsH """, ) @@ -37618,18 +25359,11 @@ index = 1886, label = "C7H8-19 + C9H11-15 <=> C16H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (359, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.8488, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(359,'cm^3/(mol*s)'), n=2.41, Ea=(23.8488,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CbCsCs """, ) @@ -37638,18 +25372,11 @@ index = 1887, label = "C3H3 + C7H8-19 <=> C10H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.991, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8440,'cm^3/(mol*s)'), n=2.41, Ea=(27.991,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CtHH """, ) @@ -37658,18 +25385,11 @@ index = 1888, label = "C4H5-12 + C7H8-19 <=> C11H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.0245, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(26.0245,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CtCsH """, ) @@ -37678,18 +25398,11 @@ index = 1889, label = "C7H8-19 + C5H7-5 <=> C12H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (486, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.1794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(486,'cm^3/(mol*s)'), n=2.41, Ea=(23.1794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CsJ-CtCsCs """, ) @@ -37698,18 +25411,11 @@ index = 1890, label = "C7H8-19 + C2H3 <=> C9H11-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.59824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12800,'cm^3/(mol*s)'), n=2.41, Ea=(-3.59824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CdsJ-H """, ) @@ -37718,18 +25424,11 @@ index = 1891, label = "C7H8-19 + C3H5 <=> C10H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.47688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6770,'cm^3/(mol*s)'), n=2.41, Ea=(-4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CdsJ-Cs """, ) @@ -37738,18 +25437,11 @@ index = 1892, label = "C7H8-19 + C6H5 <=> C13H13-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-13.598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(-13.598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;CbJ """, ) @@ -37758,18 +25450,11 @@ index = 1893, label = "C8H8-5 + CH3 <=> C9H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (56900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(56900,'cm^3/(mol*s)'), n=2.41, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-HHH """, ) @@ -37778,18 +25463,11 @@ index = 1894, label = "C8H8-5 + C2H5 <=> C10H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.276, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5780,'cm^3/(mol*s)'), n=2.41, Ea=(6.276,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CsHH """, ) @@ -37798,18 +25476,11 @@ index = 1895, label = "C8H8-5 + C3H7-2 <=> C11H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.2552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4630,'cm^3/(mol*s)'), n=2.41, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CsCsH """, ) @@ -37818,18 +25489,11 @@ index = 1896, label = "C8H8-5 + C4H9 <=> C12H17-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.64424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3430,'cm^3/(mol*s)'), n=2.41, Ea=(-4.64424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CsCsCs """, ) @@ -37838,18 +25502,11 @@ index = 1897, label = "C8H8-5 + allyl <=> C11H13-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (120000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.9782, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(120000,'cm^3/(mol*s)'), n=2.41, Ea=(34.9782,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdHH """, ) @@ -37858,18 +25515,11 @@ index = 1898, label = "C8H8-5 + C4H7-2 <=> C12H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.9741, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10500,'cm^3/(mol*s)'), n=2.41, Ea=(33.9741,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCsH """, ) @@ -37878,18 +25528,11 @@ index = 1899, label = "C8H8-5 + C5H9 <=> C13H17-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.8738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.41, Ea=(29.8738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCsCs """, ) @@ -37898,18 +25541,11 @@ index = 1900, label = "C8H8-5 + C5H7-3 <=> C13H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.9736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21100,'cm^3/(mol*s)'), n=2.41, Ea=(53.9736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCdH """, ) @@ -37918,18 +25554,11 @@ index = 1901, label = "C8H8-5 + C6H9-12 <=> C14H17-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.2205, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7200,'cm^3/(mol*s)'), n=2.41, Ea=(53.2205,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CdCdCs """, ) @@ -37938,18 +25567,11 @@ index = 1902, label = "C8H8-5 + C7H7-3 <=> C15H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.2295, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27800,'cm^3/(mol*s)'), n=2.41, Ea=(25.2295,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CbHH """, ) @@ -37958,18 +25580,11 @@ index = 1903, label = "C8H8-5 + C8H9 <=> C16H17-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.3426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6850,'cm^3/(mol*s)'), n=2.41, Ea=(22.3426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CbCsH """, ) @@ -37978,18 +25593,11 @@ index = 1904, label = "C8H8-5 + C9H11-15 <=> C17H19-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.0832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CbCsCs """, ) @@ -37998,18 +25606,11 @@ index = 1905, label = "C8H8-5 + C3H3 <=> C11H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.2254, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25700,'cm^3/(mol*s)'), n=2.41, Ea=(24.2254,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CtHH """, ) @@ -38018,18 +25619,11 @@ index = 1906, label = "C8H8-5 + C4H5-12 <=> C12H13-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.2589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5800,'cm^3/(mol*s)'), n=2.41, Ea=(22.2589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CtCsH """, ) @@ -38038,18 +25632,11 @@ index = 1907, label = "C8H8-5 + C5H7-5 <=> C13H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1480,'cm^3/(mol*s)'), n=2.41, Ea=(19.4138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CsJ-CtCsCs """, ) @@ -38058,18 +25645,11 @@ index = 1908, label = "C8H8-5 + C2H3 <=> C10H11-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (38900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.36384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(38900,'cm^3/(mol*s)'), n=2.41, Ea=(-7.36384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CdsJ-H """, ) @@ -38078,18 +25658,11 @@ index = 1909, label = "C8H8-5 + C3H5 <=> C11H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-8.24248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20600,'cm^3/(mol*s)'), n=2.41, Ea=(-8.24248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CdsJ-Cs """, ) @@ -38098,18 +25671,11 @@ index = 1910, label = "C8H8-5 + C6H5 <=> C14H13-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (61500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-17.3636, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(61500,'cm^3/(mol*s)'), n=2.41, Ea=(-17.3636,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;CbJ """, ) @@ -38118,18 +25684,11 @@ index = 1911, label = "C10H8-7 + CH3 <=> C11H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5370,'cm^3/(mol*s)'), n=2.41, Ea=(21.5058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-HHH """, ) @@ -38138,18 +25697,11 @@ index = 1912, label = "C10H8-7 + C2H5 <=> C12H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (545, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.1209, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(545,'cm^3/(mol*s)'), n=2.41, Ea=(19.1209,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CsHH """, ) @@ -38158,18 +25710,11 @@ index = 1913, label = "C10H8-7 + C3H7-2 <=> C13H15-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (437, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1419, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(437,'cm^3/(mol*s)'), n=2.41, Ea=(14.1419,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CsCsH """, ) @@ -38178,18 +25723,11 @@ index = 1914, label = "C10H8-7 + C4H9 <=> C14H17-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (324, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.20064, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(324,'cm^3/(mol*s)'), n=2.41, Ea=(8.20064,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CsCsCs """, ) @@ -38198,18 +25736,11 @@ index = 1915, label = "C10H8-7 + allyl <=> C13H13-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.8231, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11340,'cm^3/(mol*s)'), n=2.41, Ea=(47.8231,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdHH """, ) @@ -38218,18 +25749,11 @@ index = 1916, label = "C10H8-7 + C4H7-2 <=> C14H15-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (987, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.819, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(987,'cm^3/(mol*s)'), n=2.41, Ea=(46.819,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCsH """, ) @@ -38238,18 +25762,11 @@ index = 1917, label = "C10H8-7 + C5H9 <=> C15H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.7605, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(128,'cm^3/(mol*s)'), n=2.41, Ea=(42.7605,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCsCs """, ) @@ -38258,18 +25775,11 @@ index = 1918, label = "C10H8-7 + C5H7-3 <=> C15H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.8603, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(66.8603,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCdH """, ) @@ -38278,18 +25788,11 @@ index = 1919, label = "C10H8-7 + C6H9-12 <=> C16H17-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (679, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.0654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(679,'cm^3/(mol*s)'), n=2.41, Ea=(66.0654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CdCdCs """, ) @@ -38298,18 +25801,11 @@ index = 1920, label = "C10H8-7 + C7H7-3 <=> C17H15-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CbHH """, ) @@ -38318,18 +25814,11 @@ index = 1921, label = "C10H8-7 + C8H9 <=> C18H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (646, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(646,'cm^3/(mol*s)'), n=2.41, Ea=(35.1874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CbCsH """, ) @@ -38338,18 +25827,11 @@ index = 1922, label = "C10H8-7 + C9H11-15 <=> C19H19-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (103, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.9281, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(103,'cm^3/(mol*s)'), n=2.41, Ea=(32.9281,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CbCsCs """, ) @@ -38358,18 +25840,11 @@ index = 1923, label = "C10H8-7 + C3H3 <=> C13H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.0702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2430,'cm^3/(mol*s)'), n=2.41, Ea=(37.0702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CtHH """, ) @@ -38378,18 +25853,11 @@ index = 1924, label = "C4H5-12 + C10H8-7 <=> C14H13-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (548, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1456, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(548,'cm^3/(mol*s)'), n=2.41, Ea=(35.1456,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CtCsH """, ) @@ -38398,18 +25866,11 @@ index = 1925, label = "C10H8-7 + C5H7-5 <=> C15H15-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.2586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(140,'cm^3/(mol*s)'), n=2.41, Ea=(32.2586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CsJ-CtCsCs """, ) @@ -38418,18 +25879,11 @@ index = 1926, label = "C10H8-7 + C2H3 <=> C12H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.48104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3670,'cm^3/(mol*s)'), n=2.41, Ea=(5.48104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CdsJ-H """, ) @@ -38438,18 +25892,11 @@ index = 1927, label = "C10H8-7 + C3H5 <=> C13H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1950, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.6024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1950,'cm^3/(mol*s)'), n=2.41, Ea=(4.6024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CdsJ-Cs """, ) @@ -38458,18 +25905,11 @@ index = 1928, label = "C10H8-7 + C6H5 <=> C16H13-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.47688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5800,'cm^3/(mol*s)'), n=2.41, Ea=(-4.47688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;CbJ """, ) @@ -38478,18 +25918,11 @@ index = 1929, label = "C11H10-3 + CH3 <=> C12H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.8363, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11400,'cm^3/(mol*s)'), n=2.41, Ea=(20.8363,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-HHH """, ) @@ -38498,18 +25931,11 @@ index = 1930, label = "C11H10-3 + C2H5 <=> C13H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4514, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(18.4514,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CsHH """, ) @@ -38518,18 +25944,11 @@ index = 1931, label = "C11H10-3 + C3H7-2 <=> C14H17-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (928, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4725, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(928,'cm^3/(mol*s)'), n=2.41, Ea=(13.4725,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CsCsH """, ) @@ -38538,18 +25957,11 @@ index = 1932, label = "C11H10-3 + C4H9 <=> C15H19-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (687, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(687,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CsCsCs """, ) @@ -38558,18 +25970,11 @@ index = 1933, label = "C11H10-3 + allyl <=> C14H15-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.1537, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24000,'cm^3/(mol*s)'), n=2.41, Ea=(47.1537,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdHH """, ) @@ -38578,18 +25983,11 @@ index = 1934, label = "C11H10-3 + C4H7-2 <=> C15H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2090,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCsH """, ) @@ -38598,18 +25996,11 @@ index = 1935, label = "C11H10-3 + C5H9 <=> C16H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (271, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.091, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(271,'cm^3/(mol*s)'), n=2.41, Ea=(42.091,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCsCs """, ) @@ -38618,18 +26009,11 @@ index = 1936, label = "C11H10-3 + C5H7-3 <=> C16H17-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.1909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(66.1909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCdH """, ) @@ -38638,18 +26022,11 @@ index = 1937, label = "C11H10-3 + C6H9-12 <=> C17H19-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.3959, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1440,'cm^3/(mol*s)'), n=2.41, Ea=(65.3959,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CdCdCs """, ) @@ -38658,18 +26035,11 @@ index = 1938, label = "C11H10-3 + C7H7-3 <=> C18H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.4468, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5570,'cm^3/(mol*s)'), n=2.41, Ea=(37.4468,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CbHH """, ) @@ -38678,18 +26048,11 @@ index = 1939, label = "C11H10-3 + C8H9 <=> C19H19-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1370, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.518, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1370,'cm^3/(mol*s)'), n=2.41, Ea=(34.518,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CbCsH """, ) @@ -38698,18 +26061,11 @@ index = 1940, label = "C11H10-3 + C9H11-15 <=> C20H21-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (219, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.2586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(219,'cm^3/(mol*s)'), n=2.41, Ea=(32.2586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CbCsCs """, ) @@ -38718,18 +26074,11 @@ index = 1941, label = "C3H3 + C11H10-3 <=> C14H13-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5150, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.4008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5150,'cm^3/(mol*s)'), n=2.41, Ea=(36.4008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CtHH """, ) @@ -38738,18 +26087,11 @@ index = 1942, label = "C4H5-12 + C11H10-3 <=> C15H15-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CtCsH """, ) @@ -38758,18 +26100,11 @@ index = 1943, label = "C11H10-3 + C5H7-5 <=> C16H17-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (296, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5892, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(296,'cm^3/(mol*s)'), n=2.41, Ea=(31.5892,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CsJ-CtCsCs """, ) @@ -38778,18 +26113,11 @@ index = 1944, label = "C11H10-3 + C2H3 <=> C13H13-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7790,'cm^3/(mol*s)'), n=2.41, Ea=(4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CdsJ-H """, ) @@ -38798,18 +26126,11 @@ index = 1945, label = "C11H10-3 + C3H5 <=> C14H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4130,'cm^3/(mol*s)'), n=2.41, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CdsJ-Cs """, ) @@ -38818,18 +26139,11 @@ index = 1946, label = "C11H10-3 + C6H5 <=> C17H15-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.14632, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12300,'cm^3/(mol*s)'), n=2.41, Ea=(-5.14632,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;CbJ """, ) @@ -38838,18 +26152,11 @@ index = 1947, label = "C6H4 + CH3 <=> C7H7-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (42600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42600,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-HHH """, ) @@ -38858,18 +26165,11 @@ index = 1948, label = "C6H4 + C2H5 <=> C8H9-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4340,'cm^3/(mol*s)'), n=2.41, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CsHH """, ) @@ -38878,18 +26178,11 @@ index = 1949, label = "C6H4 + C3H7-2 <=> C9H11-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.15048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3480,'cm^3/(mol*s)'), n=2.41, Ea=(6.15048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CsCsH """, ) @@ -38898,18 +26191,11 @@ index = 1950, label = "C6H4 + C4H9 <=> C10H13-51", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.2092, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(0.2092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CsCsCs """, ) @@ -38918,18 +26204,11 @@ index = 1951, label = "C6H4 + allyl <=> C9H9-23", degeneracy = 4.0, - kinetics = Arrhenius( - A = (90000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8317, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(90000,'cm^3/(mol*s)'), n=2.41, Ea=(39.8317,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdHH """, ) @@ -38938,18 +26217,11 @@ index = 1952, label = "C6H4 + C4H7-2 <=> C10H11-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.8275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7840,'cm^3/(mol*s)'), n=2.41, Ea=(38.8275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCsH """, ) @@ -38958,18 +26230,11 @@ index = 1953, label = "C6H4 + C5H9 <=> C11H13-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1014, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.769, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1014,'cm^3/(mol*s)'), n=2.41, Ea=(34.769,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCsCs """, ) @@ -38978,18 +26243,11 @@ index = 1954, label = "C6H4 + C5H7-3 <=> C11H11-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.8689, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(58.8689,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCdH """, ) @@ -38998,18 +26256,11 @@ index = 1955, label = "C6H4 + C6H9-12 <=> C12H13-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.1158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5400,'cm^3/(mol*s)'), n=2.41, Ea=(58.1158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CdCdCs """, ) @@ -39018,18 +26269,11 @@ index = 1956, label = "C6H4 + C7H7-3 <=> C13H11-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CbHH """, ) @@ -39038,18 +26282,11 @@ index = 1957, label = "C6H4 + C8H9 <=> C14H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5140,'cm^3/(mol*s)'), n=2.41, Ea=(27.196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CbCsH """, ) @@ -39058,18 +26295,11 @@ index = 1958, label = "C6H4 + C9H11-15 <=> C15H15-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (822, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(822,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CbCsCs """, ) @@ -39078,18 +26308,11 @@ index = 1959, label = "C6H4 + C3H3 <=> C9H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.0788, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19280,'cm^3/(mol*s)'), n=2.41, Ea=(29.0788,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CtHH """, ) @@ -39098,18 +26321,11 @@ index = 1960, label = "C6H4 + C4H5-12 <=> C10H9-34", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4340,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CtCsH """, ) @@ -39118,18 +26334,11 @@ index = 1961, label = "C6H4 + C5H7-5 <=> C11H11-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.309, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1110,'cm^3/(mol*s)'), n=2.41, Ea=(24.309,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CsJ-CtCsCs """, ) @@ -39138,18 +26347,11 @@ index = 1962, label = "C6H4 + C2H3 <=> C8H7-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (29200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.5104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29200,'cm^3/(mol*s)'), n=2.41, Ea=(-2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CdsJ-H """, ) @@ -39158,18 +26360,11 @@ index = 1963, label = "C6H4 + C3H5 <=> C9H9-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.38904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15460,'cm^3/(mol*s)'), n=2.41, Ea=(-3.38904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CdsJ-Cs """, ) @@ -39178,18 +26373,11 @@ index = 1964, label = "C6H4 + C6H5 <=> C12H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (46000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-12.4683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(46000,'cm^3/(mol*s)'), n=2.41, Ea=(-12.4683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;CbJ """, ) @@ -39198,18 +26386,11 @@ index = 1965, label = "C7H6-4 + CH3 <=> C8H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21800,'cm^3/(mol*s)'), n=2.41, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-HHH """, ) @@ -39218,18 +26399,11 @@ index = 1966, label = "C7H6-4 + C2H5 <=> C9H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2220,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CsHH """, ) @@ -39238,18 +26412,11 @@ index = 1967, label = "C7H6-4 + C3H7-2 <=> C10H13-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1780,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CsCsH """, ) @@ -39258,18 +26425,11 @@ index = 1968, label = "C7H6-4 + C4H9 <=> C11H15-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.12552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1320,'cm^3/(mol*s)'), n=2.41, Ea=(-0.12552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CsCsCs """, ) @@ -39278,18 +26438,11 @@ index = 1969, label = "C7H6-4 + allyl <=> C10H11-39", degeneracy = 2.0, - kinetics = Arrhenius( - A = (46000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(46000,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdHH """, ) @@ -39298,18 +26451,11 @@ index = 1970, label = "C7H6-4 + C4H7-2 <=> C11H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.4928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4010,'cm^3/(mol*s)'), n=2.41, Ea=(38.4928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCsH """, ) @@ -39318,18 +26464,11 @@ index = 1971, label = "C7H6-4 + C5H9 <=> C12H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (519, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(519,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCsCs """, ) @@ -39338,18 +26477,11 @@ index = 1972, label = "C7H6-4 + C5H7-3 <=> C12H13-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8090, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.4923, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8090,'cm^3/(mol*s)'), n=2.41, Ea=(58.4923,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCdH """, ) @@ -39358,18 +26490,11 @@ index = 1973, label = "C7H6-4 + C6H9-12 <=> C13H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.7392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2760,'cm^3/(mol*s)'), n=2.41, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CdCdCs """, ) @@ -39378,18 +26503,11 @@ index = 1974, label = "C7H6-4 + C7H7-3 <=> C14H13-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10700,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CbHH """, ) @@ -39398,18 +26516,11 @@ index = 1975, label = "C7H6-4 + C8H9 <=> C15H15-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.8613, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2630,'cm^3/(mol*s)'), n=2.41, Ea=(26.8613,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CbCsH """, ) @@ -39418,18 +26529,11 @@ index = 1976, label = "C7H6-4 + C9H11-15 <=> C16H17-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6019, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(420,'cm^3/(mol*s)'), n=2.41, Ea=(24.6019,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CbCsCs """, ) @@ -39438,18 +26542,11 @@ index = 1977, label = "C7H6-4 + C3H3 <=> C10H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9870,'cm^3/(mol*s)'), n=2.41, Ea=(28.7441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CtHH """, ) @@ -39458,18 +26555,11 @@ index = 1978, label = "C4H5-12 + C7H6-4 <=> C11H11-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2230,'cm^3/(mol*s)'), n=2.41, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CtCsH """, ) @@ -39478,18 +26568,11 @@ index = 1979, label = "C5H7-5 + C7H6-4 <=> C12H13-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (568, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.9325, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(568,'cm^3/(mol*s)'), n=2.41, Ea=(23.9325,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CsJ-CtCsCs """, ) @@ -39498,18 +26581,11 @@ index = 1980, label = "C7H6-4 + C2H3 <=> C9H9-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.84512, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14900,'cm^3/(mol*s)'), n=2.41, Ea=(-2.84512,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CdsJ-H """, ) @@ -39518,18 +26594,11 @@ index = 1981, label = "C7H6-4 + C3H5 <=> C10H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7920,'cm^3/(mol*s)'), n=2.41, Ea=(-3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CdsJ-Cs """, ) @@ -39538,18 +26607,11 @@ index = 1982, label = "C7H6-4 + C6H5 <=> C13H11-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-12.8449, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23600,'cm^3/(mol*s)'), n=2.41, Ea=(-12.8449,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;CbJ """, ) @@ -39558,18 +26620,11 @@ index = 1983, label = "C5H4 + CH3 <=> C6H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.539, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15800,'cm^3/(mol*s)'), n=2.41, Ea=(29.539,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-HHH """, ) @@ -39578,18 +26633,11 @@ index = 1984, label = "C5H4 + C2H5 <=> C7H9-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.1542, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1600,'cm^3/(mol*s)'), n=2.41, Ea=(27.1542,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CsHH """, ) @@ -39598,18 +26646,11 @@ index = 1985, label = "C5H4 + C3H7-2 <=> C8H11-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.1752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1280,'cm^3/(mol*s)'), n=2.41, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CsCsH """, ) @@ -39618,18 +26659,11 @@ index = 1986, label = "C5H4 + C4H9 <=> C9H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (951, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.2339, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(951,'cm^3/(mol*s)'), n=2.41, Ea=(16.2339,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CsCsCs """, ) @@ -39638,18 +26672,11 @@ index = 1987, label = "C5H4 + allyl <=> C8H9-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (33200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.8564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33200,'cm^3/(mol*s)'), n=2.41, Ea=(55.8564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdHH """, ) @@ -39658,18 +26685,11 @@ index = 1988, label = "C5H4 + C4H7-2 <=> C9H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.8522, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2900,'cm^3/(mol*s)'), n=2.41, Ea=(54.8522,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCsH """, ) @@ -39678,18 +26698,11 @@ index = 1989, label = "C5H4 + C5H9 <=> C10H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (374, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(374,'cm^3/(mol*s)'), n=2.41, Ea=(50.7938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCsCs """, ) @@ -39698,18 +26711,11 @@ index = 1990, label = "C5H4 + C5H7-3 <=> C10H11-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.8936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5840,'cm^3/(mol*s)'), n=2.41, Ea=(74.8936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCdH """, ) @@ -39718,18 +26724,11 @@ index = 1991, label = "C5H4 + C6H9-12 <=> C11H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.0986, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1990,'cm^3/(mol*s)'), n=2.41, Ea=(74.0986,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CdCdCs """, ) @@ -39738,18 +26737,11 @@ index = 1992, label = "C5H4 + C7H7-3 <=> C12H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7710,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CbHH """, ) @@ -39758,18 +26750,11 @@ index = 1993, label = "C5H4 + C8H9 <=> C13H13-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1900,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CbCsH """, ) @@ -39778,18 +26763,11 @@ index = 1994, label = "C5H4 + C9H11-15 <=> C14H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (303, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9614, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(303,'cm^3/(mol*s)'), n=2.41, Ea=(40.9614,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CbCsCs """, ) @@ -39798,18 +26776,11 @@ index = 1995, label = "C5H4 + C3H3 <=> C8H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.1035, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7120,'cm^3/(mol*s)'), n=2.41, Ea=(45.1035,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CtHH """, ) @@ -39818,18 +26789,11 @@ index = 1996, label = "C4H5-12 + C5H4 <=> C9H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.1789, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1610,'cm^3/(mol*s)'), n=2.41, Ea=(43.1789,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CtCsH """, ) @@ -39838,18 +26802,11 @@ index = 1997, label = "C5H4 + C5H7-5 <=> C10H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.2919, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(410,'cm^3/(mol*s)'), n=2.41, Ea=(40.2919,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CsJ-CtCsCs """, ) @@ -39858,18 +26815,11 @@ index = 1998, label = "C5H4 + C2H3 <=> C7H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10800,'cm^3/(mol*s)'), n=2.41, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CdsJ-H """, ) @@ -39878,18 +26828,11 @@ index = 1999, label = "C5H4 + C3H5 <=> C8H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5710,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CdsJ-Cs """, ) @@ -39898,18 +26841,11 @@ index = 2000, label = "C5H4 + C6H5 <=> C11H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.5564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17000,'cm^3/(mol*s)'), n=2.41, Ea=(3.5564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;CbJ """, ) @@ -39918,18 +26854,11 @@ index = 2001, label = "C5H6-7 + CH3 <=> C6H9-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7010,'cm^3/(mol*s)'), n=2.41, Ea=(33.0954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-HHH """, ) @@ -39938,18 +26867,11 @@ index = 2002, label = "C5H6-7 + C2H5 <=> C7H11-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (712, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7106, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(712,'cm^3/(mol*s)'), n=2.41, Ea=(30.7106,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CsHH """, ) @@ -39958,18 +26880,11 @@ index = 2003, label = "C5H6-7 + C3H7-2 <=> C8H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (571, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.7316, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(571,'cm^3/(mol*s)'), n=2.41, Ea=(25.7316,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CsCsH """, ) @@ -39978,18 +26893,11 @@ index = 2004, label = "C5H6-7 + C4H9 <=> C9H15-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (423, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7903, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(423,'cm^3/(mol*s)'), n=2.41, Ea=(19.7903,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CsCsCs """, ) @@ -39998,18 +26906,11 @@ index = 2005, label = "C5H6-7 + allyl <=> C8H11-35", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.4128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14780,'cm^3/(mol*s)'), n=2.41, Ea=(59.4128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdHH """, ) @@ -40018,18 +26919,11 @@ index = 2006, label = "C5H6-7 + C4H7-2 <=> C9H13-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.4086, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(58.4086,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCsH """, ) @@ -40038,18 +26932,11 @@ index = 2007, label = "C5H6-7 + C5H9 <=> C10H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (167, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.3502, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(167,'cm^3/(mol*s)'), n=2.41, Ea=(54.3502,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCsCs """, ) @@ -40058,18 +26945,11 @@ index = 2008, label = "C5H6-7 + C5H7-3 <=> C10H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (78.4082, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2600,'cm^3/(mol*s)'), n=2.41, Ea=(78.4082,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCdH """, ) @@ -40078,18 +26958,11 @@ index = 2009, label = "C5H6-7 + C6H9-12 <=> C11H15-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (887, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(887,'cm^3/(mol*s)'), n=2.41, Ea=(77.655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CdCdCs """, ) @@ -40098,18 +26971,11 @@ index = 2010, label = "C5H6-7 + C7H7-3 <=> C12H13-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3430, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3430,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CbHH """, ) @@ -40118,18 +26984,11 @@ index = 2011, label = "C5H6-7 + C8H9 <=> C13H15-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (843, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7771, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(843,'cm^3/(mol*s)'), n=2.41, Ea=(46.7771,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CbCsH """, ) @@ -40138,18 +26997,11 @@ index = 2012, label = "C5H6-7 + C9H11-15 <=> C14H17-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.5178, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(44.5178,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CbCsCs """, ) @@ -40158,18 +27010,11 @@ index = 2013, label = "C5H6-7 + C3H3 <=> C8H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.6599, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3170,'cm^3/(mol*s)'), n=2.41, Ea=(48.6599,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CtHH """, ) @@ -40178,18 +27023,11 @@ index = 2014, label = "C4H5-12 + C5H6-7 <=> C9H11-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (715, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.6934, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(715,'cm^3/(mol*s)'), n=2.41, Ea=(46.6934,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CtCsH """, ) @@ -40198,18 +27036,11 @@ index = 2015, label = "C5H7-5 + C5H6-7 <=> C10H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (182, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8483, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(182,'cm^3/(mol*s)'), n=2.41, Ea=(43.8483,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CsJ-CtCsCs """, ) @@ -40218,18 +27049,11 @@ index = 2016, label = "C5H6-7 + C2H3 <=> C7H9-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4790,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CdsJ-H """, ) @@ -40238,18 +27062,11 @@ index = 2017, label = "C5H6-7 + C3H5 <=> C8H11-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.1921, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2540,'cm^3/(mol*s)'), n=2.41, Ea=(16.1921,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CdsJ-Cs """, ) @@ -40258,18 +27075,11 @@ index = 2018, label = "C5H6-7 + C6H5 <=> C11H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.1128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7570,'cm^3/(mol*s)'), n=2.41, Ea=(7.1128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;CbJ """, ) @@ -40278,18 +27088,11 @@ index = 2019, label = "C6H8-13 + CH3 <=> C7H11-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.7984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7040,'cm^3/(mol*s)'), n=2.41, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-HHH """, ) @@ -40298,18 +27101,11 @@ index = 2020, label = "C6H8-13 + C2H5 <=> C8H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (715, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4135, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(715,'cm^3/(mol*s)'), n=2.41, Ea=(29.4135,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CsHH """, ) @@ -40318,18 +27114,11 @@ index = 2021, label = "C6H8-13 + C3H7-2 <=> C9H15-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (573, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3927, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(573,'cm^3/(mol*s)'), n=2.41, Ea=(24.3927,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CsCsH """, ) @@ -40338,18 +27127,11 @@ index = 2022, label = "C6H8-13 + C4H9 <=> C10H17-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (425, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.4933, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(425,'cm^3/(mol*s)'), n=2.41, Ea=(18.4933,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CsCsCs """, ) @@ -40358,18 +27140,11 @@ index = 2023, label = "C6H8-13 + allyl <=> C9H13-53", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.1158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14860,'cm^3/(mol*s)'), n=2.41, Ea=(58.1158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdHH """, ) @@ -40378,18 +27153,11 @@ index = 2024, label = "C6H8-13 + C4H7-2 <=> C10H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.1116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1290,'cm^3/(mol*s)'), n=2.41, Ea=(57.1116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCsH """, ) @@ -40398,18 +27166,11 @@ index = 2025, label = "C6H8-13 + C5H9 <=> C11H17-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (167, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.0113, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(167,'cm^3/(mol*s)'), n=2.41, Ea=(53.0113,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCsCs """, ) @@ -40418,18 +27179,11 @@ index = 2026, label = "C6H8-13 + C5H7-3 <=> C11H15-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.1111, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2610,'cm^3/(mol*s)'), n=2.41, Ea=(77.1111,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCdH """, ) @@ -40438,18 +27192,11 @@ index = 2027, label = "C6H8-13 + C6H9-12 <=> C12H17-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (76.358, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(890,'cm^3/(mol*s)'), n=2.41, Ea=(76.358,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CdCdCs """, ) @@ -40458,18 +27205,11 @@ index = 2028, label = "C6H8-13 + C7H7-3 <=> C13H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.367, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3440,'cm^3/(mol*s)'), n=2.41, Ea=(48.367,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CbHH """, ) @@ -40478,18 +27218,11 @@ index = 2029, label = "C6H8-13 + C8H9 <=> C14H17-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (847, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.4801, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(847,'cm^3/(mol*s)'), n=2.41, Ea=(45.4801,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CbCsH """, ) @@ -40498,18 +27231,11 @@ index = 2030, label = "C6H8-13 + C9H11-15 <=> C15H19-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (135, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CbCsCs """, ) @@ -40518,18 +27244,11 @@ index = 2031, label = "C3H3 + C6H8-13 <=> C9H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.3629, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(47.3629,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CtHH """, ) @@ -40538,18 +27257,11 @@ index = 2032, label = "C4H5-12 + C6H8-13 <=> C10H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (718, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3964, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(718,'cm^3/(mol*s)'), n=2.41, Ea=(45.3964,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CtCsH """, ) @@ -40558,18 +27270,11 @@ index = 2033, label = "C6H8-13 + C5H7-5 <=> C11H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (183, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.5513, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(183,'cm^3/(mol*s)'), n=2.41, Ea=(42.5513,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CsJ-CtCsCs """, ) @@ -40578,18 +27283,11 @@ index = 2034, label = "C6H8-13 + C2H3 <=> C8H11-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4810, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4810,'cm^3/(mol*s)'), n=2.41, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CdsJ-H """, ) @@ -40598,18 +27296,11 @@ index = 2035, label = "C6H8-13 + C3H5 <=> C9H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.8532, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(14.8532,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CdsJ-Cs """, ) @@ -40618,18 +27309,11 @@ index = 2036, label = "C6H8-13 + C6H5 <=> C12H13-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;CbJ """, ) @@ -40638,18 +27322,11 @@ index = 2037, label = "C7H10-8 + CH3 <=> C8H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8850, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1666, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8850,'cm^3/(mol*s)'), n=2.41, Ea=(30.1666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-HHH """, ) @@ -40658,18 +27335,11 @@ index = 2038, label = "C7H10-8 + C2H5 <=> C9H15-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (899, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(899,'cm^3/(mol*s)'), n=2.41, Ea=(27.7818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CsHH """, ) @@ -40678,18 +27348,11 @@ index = 2039, label = "C7H10-8 + C3H7-2 <=> C10H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (721, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.8028, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(721,'cm^3/(mol*s)'), n=2.41, Ea=(22.8028,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CsCsH """, ) @@ -40698,18 +27361,11 @@ index = 2040, label = "C7H10-8 + C4H9 <=> C11H19-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (534, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(534,'cm^3/(mol*s)'), n=2.41, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CsCsCs """, ) @@ -40718,18 +27374,11 @@ index = 2041, label = "C7H10-8 + allyl <=> C10H15-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.484, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18680,'cm^3/(mol*s)'), n=2.41, Ea=(56.484,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdHH """, ) @@ -40738,18 +27387,11 @@ index = 2042, label = "C7H10-8 + C4H7-2 <=> C11H17-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.4798, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1630,'cm^3/(mol*s)'), n=2.41, Ea=(55.4798,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCsH """, ) @@ -40758,18 +27400,11 @@ index = 2043, label = "C7H10-8 + C5H9 <=> C12H19-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.4214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(210,'cm^3/(mol*s)'), n=2.41, Ea=(51.4214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCsCs """, ) @@ -40778,18 +27413,11 @@ index = 2044, label = "C7H10-8 + C5H7-3 <=> C12H17-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3280, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.5212, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3280,'cm^3/(mol*s)'), n=2.41, Ea=(75.5212,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCdH """, ) @@ -40798,18 +27426,11 @@ index = 2045, label = "C7H10-8 + C6H9-12 <=> C13H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.7681, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1120,'cm^3/(mol*s)'), n=2.41, Ea=(74.7681,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CdCdCs """, ) @@ -40818,18 +27439,11 @@ index = 2046, label = "C7H10-8 + C7H7-3 <=> C14H17-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7771, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4330,'cm^3/(mol*s)'), n=2.41, Ea=(46.7771,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CbHH """, ) @@ -40838,18 +27452,11 @@ index = 2047, label = "C7H10-8 + C8H9 <=> C15H19-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8483, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1070,'cm^3/(mol*s)'), n=2.41, Ea=(43.8483,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CbCsH """, ) @@ -40858,18 +27465,11 @@ index = 2048, label = "C7H10-8 + C9H11-15 <=> C16H21-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.589, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(170,'cm^3/(mol*s)'), n=2.41, Ea=(41.589,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CbCsCs """, ) @@ -40878,18 +27478,11 @@ index = 2049, label = "C7H10-8 + C3H3 <=> C10H13-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.7311, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4000,'cm^3/(mol*s)'), n=2.41, Ea=(45.7311,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CtHH """, ) @@ -40898,18 +27491,11 @@ index = 2050, label = "C4H5-12 + C7H10-8 <=> C11H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (903, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8065, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(903,'cm^3/(mol*s)'), n=2.41, Ea=(43.8065,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CtCsH """, ) @@ -40918,18 +27504,11 @@ index = 2051, label = "C7H10-8 + C5H7-5 <=> C12H17-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(230,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CsJ-CtCsCs """, ) @@ -40938,18 +27517,11 @@ index = 2052, label = "C7H10-8 + C2H3 <=> C9H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1419, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6060,'cm^3/(mol*s)'), n=2.41, Ea=(14.1419,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CdsJ-H """, ) @@ -40958,18 +27530,11 @@ index = 2053, label = "C7H10-8 + C3H5 <=> C10H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2633, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3210,'cm^3/(mol*s)'), n=2.41, Ea=(13.2633,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CdsJ-Cs """, ) @@ -40978,18 +27543,11 @@ index = 2054, label = "C7H10-8 + C6H5 <=> C13H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9570,'cm^3/(mol*s)'), n=2.41, Ea=(4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;CbJ """, ) @@ -40998,18 +27556,11 @@ index = 2055, label = "C7H8-20 + CH3 <=> C8H11-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.0832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7900,'cm^3/(mol*s)'), n=2.41, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-HHH """, ) @@ -41018,18 +27569,11 @@ index = 2056, label = "C7H8-20 + C2H5 <=> C9H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (803, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6983, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(803,'cm^3/(mol*s)'), n=2.41, Ea=(17.6983,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CsHH """, ) @@ -41038,18 +27582,11 @@ index = 2057, label = "C7H8-20 + C3H7-2 <=> C10H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (644, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.7194, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(644,'cm^3/(mol*s)'), n=2.41, Ea=(12.7194,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CsCsH """, ) @@ -41058,18 +27595,11 @@ index = 2058, label = "C7H8-20 + C4H9 <=> C11H17-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (477, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.81992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(477,'cm^3/(mol*s)'), n=2.41, Ea=(6.81992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CsCsCs """, ) @@ -41078,18 +27608,11 @@ index = 2059, label = "C7H8-20 + allyl <=> C10H13-58", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.4006, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16680,'cm^3/(mol*s)'), n=2.41, Ea=(46.4006,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdHH """, ) @@ -41098,18 +27621,11 @@ index = 2060, label = "C7H8-20 + C4H7-2 <=> C11H15-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1450, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3964, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1450,'cm^3/(mol*s)'), n=2.41, Ea=(45.3964,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCsH """, ) @@ -41118,18 +27634,11 @@ index = 2061, label = "C7H8-20 + C5H9 <=> C12H17-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (188, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.3379, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(188,'cm^3/(mol*s)'), n=2.41, Ea=(41.3379,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCsCs """, ) @@ -41138,18 +27647,11 @@ index = 2062, label = "C7H8-20 + C5H7-3 <=> C12H15-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2930, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.4378, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2930,'cm^3/(mol*s)'), n=2.41, Ea=(65.4378,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCdH """, ) @@ -41158,18 +27660,11 @@ index = 2063, label = "C7H8-20 + C6H9-12 <=> C13H17-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.6846, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1000,'cm^3/(mol*s)'), n=2.41, Ea=(64.6846,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CdCdCs """, ) @@ -41178,18 +27673,11 @@ index = 2064, label = "C7H8-20 + C7H7-3 <=> C14H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6937, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3870,'cm^3/(mol*s)'), n=2.41, Ea=(36.6937,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CbHH """, ) @@ -41198,18 +27686,11 @@ index = 2065, label = "C7H8-20 + C8H9 <=> C15H17-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (951, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.7649, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(951,'cm^3/(mol*s)'), n=2.41, Ea=(33.7649,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CbCsH """, ) @@ -41218,18 +27699,11 @@ index = 2066, label = "C7H8-20 + C9H11-15 <=> C16H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (152, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.5055, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(152,'cm^3/(mol*s)'), n=2.41, Ea=(31.5055,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CbCsCs """, ) @@ -41238,18 +27712,11 @@ index = 2067, label = "C7H8-20 + C3H3 <=> C10H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6477, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3570,'cm^3/(mol*s)'), n=2.41, Ea=(35.6477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CtHH """, ) @@ -41258,18 +27725,11 @@ index = 2068, label = "C7H8-20 + C4H5-12 <=> C11H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (806, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(806,'cm^3/(mol*s)'), n=2.41, Ea=(33.723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CtCsH """, ) @@ -41278,18 +27738,11 @@ index = 2069, label = "C7H8-20 + C5H7-5 <=> C12H15-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (206, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(206,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CsJ-CtCsCs """, ) @@ -41298,18 +27751,11 @@ index = 2070, label = "C7H8-20 + C2H3 <=> C9H11-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.05848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(4.05848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CdsJ-H """, ) @@ -41318,18 +27764,11 @@ index = 2071, label = "C7H8-20 + C3H5 <=> C10H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2870, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.17984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2870,'cm^3/(mol*s)'), n=2.41, Ea=(3.17984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CdsJ-Cs """, ) @@ -41338,18 +27777,11 @@ index = 2072, label = "C7H8-20 + C6H5 <=> C13H13-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.89944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8540,'cm^3/(mol*s)'), n=2.41, Ea=(-5.89944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;CbJ """, ) @@ -41358,18 +27790,11 @@ index = 2073, label = "C8H10-4 + CH3 <=> C9H13-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8970, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.3259, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8970,'cm^3/(mol*s)'), n=2.41, Ea=(18.3259,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-HHH """, ) @@ -41378,18 +27803,11 @@ index = 2074, label = "C8H10-4 + C2H5 <=> C10H15-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (911, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.9829, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(911,'cm^3/(mol*s)'), n=2.41, Ea=(15.9829,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CsHH """, ) @@ -41398,18 +27816,11 @@ index = 2075, label = "C8H10-4 + C3H7-2 <=> C11H17-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (731, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(731,'cm^3/(mol*s)'), n=2.41, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CsCsH """, ) @@ -41418,18 +27829,11 @@ index = 2076, label = "C8H10-4 + C4H9 <=> C12H19-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (541, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(541,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CsCsCs """, ) @@ -41438,18 +27842,11 @@ index = 2077, label = "C8H10-4 + allyl <=> C11H15-69", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.6433, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18920,'cm^3/(mol*s)'), n=2.41, Ea=(44.6433,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdHH """, ) @@ -41458,18 +27855,11 @@ index = 2078, label = "C8H10-4 + C4H7-2 <=> C12H17-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.6391, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.41, Ea=(43.6391,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCsH """, ) @@ -41478,18 +27868,11 @@ index = 2079, label = "C8H10-4 + C5H9 <=> C13H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (213, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(213,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCsCs """, ) @@ -41498,18 +27881,11 @@ index = 2080, label = "C8H10-4 + C5H7-3 <=> C13H17-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.6805, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3320,'cm^3/(mol*s)'), n=2.41, Ea=(63.6805,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCdH """, ) @@ -41518,18 +27894,11 @@ index = 2081, label = "C8H10-4 + C6H9-12 <=> C14H19-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.9274, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1130,'cm^3/(mol*s)'), n=2.41, Ea=(62.9274,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CdCdCs """, ) @@ -41538,18 +27907,11 @@ index = 2082, label = "C8H10-4 + C7H7-3 <=> C15H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.9364, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4390,'cm^3/(mol*s)'), n=2.41, Ea=(34.9364,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CbHH """, ) @@ -41558,18 +27920,11 @@ index = 2083, label = "C8H10-4 + C8H9 <=> C16H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0076, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1080,'cm^3/(mol*s)'), n=2.41, Ea=(32.0076,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CbCsH """, ) @@ -41578,18 +27933,11 @@ index = 2084, label = "C8H10-4 + C9H11-15 <=> C17H21-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (173, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(173,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CbCsCs """, ) @@ -41598,18 +27946,11 @@ index = 2085, label = "C8H10-4 + C3H3 <=> C11H13-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4060,'cm^3/(mol*s)'), n=2.41, Ea=(33.8904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CtHH """, ) @@ -41618,18 +27959,11 @@ index = 2086, label = "C8H10-4 + C4H5-12 <=> C12H15-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (915, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.9658, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(915,'cm^3/(mol*s)'), n=2.41, Ea=(31.9658,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CtCsH """, ) @@ -41638,18 +27972,11 @@ index = 2087, label = "C8H10-4 + C5H7-5 <=> C13H17-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (233, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.1206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(233,'cm^3/(mol*s)'), n=2.41, Ea=(29.1206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CsJ-CtCsCs """, ) @@ -41658,18 +27985,11 @@ index = 2088, label = "C8H10-4 + C2H3 <=> C10H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6130,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CdsJ-H """, ) @@ -41678,18 +27998,11 @@ index = 2089, label = "C8H10-4 + C3H5 <=> C11H15-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3250,'cm^3/(mol*s)'), n=2.41, Ea=(1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CdsJ-Cs """, ) @@ -41698,18 +28011,11 @@ index = 2090, label = "C8H10-4 + C6H5 <=> C14H15-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-7.65672, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9690,'cm^3/(mol*s)'), n=2.41, Ea=(-7.65672,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;CbJ """, ) @@ -41718,18 +28024,11 @@ index = 2091, label = "C9H10-12 + CH3 <=> C10H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.5603, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27300,'cm^3/(mol*s)'), n=2.41, Ea=(14.5603,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-HHH """, ) @@ -41738,18 +28037,11 @@ index = 2092, label = "C9H10-12 + C2H5 <=> C11H15-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.1754, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2780,'cm^3/(mol*s)'), n=2.41, Ea=(12.1754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CsHH """, ) @@ -41758,18 +28050,11 @@ index = 2093, label = "C9H10-12 + C3H7-2 <=> C12H17-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.19648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2230,'cm^3/(mol*s)'), n=2.41, Ea=(7.19648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CsCsH """, ) @@ -41778,18 +28063,11 @@ index = 2094, label = "C9H10-12 + C4H9 <=> C13H19-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.2552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.41, Ea=(1.2552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CsCsCs """, ) @@ -41798,18 +28076,11 @@ index = 2095, label = "C9H10-12 + allyl <=> C12H15-60", degeneracy = 2.0, - kinetics = Arrhenius( - A = (57600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.8777, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(57600,'cm^3/(mol*s)'), n=2.41, Ea=(40.8777,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdHH """, ) @@ -41818,18 +28089,11 @@ index = 2096, label = "C9H10-12 + C4H7-2 <=> C13H17-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.8735, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5020,'cm^3/(mol*s)'), n=2.41, Ea=(39.8735,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCsH """, ) @@ -41838,18 +28102,11 @@ index = 2097, label = "C9H10-12 + C5H9 <=> C14H19-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (650, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(650,'cm^3/(mol*s)'), n=2.41, Ea=(35.815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCsCs """, ) @@ -41858,18 +28115,11 @@ index = 2098, label = "C9H10-12 + C5H7-3 <=> C14H17-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.9149, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10100,'cm^3/(mol*s)'), n=2.41, Ea=(59.9149,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCdH """, ) @@ -41878,18 +28128,11 @@ index = 2099, label = "C9H10-12 + C6H9-12 <=> C15H19-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.1618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3460,'cm^3/(mol*s)'), n=2.41, Ea=(59.1618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CdCdCs """, ) @@ -41898,18 +28141,11 @@ index = 2100, label = "C9H10-12 + C7H7-3 <=> C16H17-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.1708, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13400,'cm^3/(mol*s)'), n=2.41, Ea=(31.1708,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CbHH """, ) @@ -41918,18 +28154,11 @@ index = 2101, label = "C9H10-12 + C8H9 <=> C17H19-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3290,'cm^3/(mol*s)'), n=2.41, Ea=(28.242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CbCsH """, ) @@ -41938,18 +28167,11 @@ index = 2102, label = "C9H10-12 + C9H11-15 <=> C18H21-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (526, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(526,'cm^3/(mol*s)'), n=2.41, Ea=(25.9826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CbCsCs """, ) @@ -41958,18 +28180,11 @@ index = 2103, label = "C9H10-12 + C3H3 <=> C12H13-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12400,'cm^3/(mol*s)'), n=2.41, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CtHH """, ) @@ -41978,18 +28193,11 @@ index = 2104, label = "C9H10-12 + C4H5-12 <=> C13H15-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.2002, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(28.2002,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CtCsH """, ) @@ -41998,18 +28206,11 @@ index = 2105, label = "C9H10-12 + C5H7-5 <=> C14H17-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (711, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(711,'cm^3/(mol*s)'), n=2.41, Ea=(25.355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CsJ-CtCsCs """, ) @@ -42018,18 +28219,11 @@ index = 2106, label = "C9H10-12 + C2H3 <=> C11H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.4644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18700,'cm^3/(mol*s)'), n=2.41, Ea=(-1.4644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CdsJ-H """, ) @@ -42038,18 +28232,11 @@ index = 2107, label = "C9H10-12 + C3H5 <=> C12H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9910,'cm^3/(mol*s)'), n=2.41, Ea=(-2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CdsJ-Cs """, ) @@ -42058,18 +28245,11 @@ index = 2108, label = "C9H10-12 + C6H5 <=> C15H15-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29500,'cm^3/(mol*s)'), n=2.41, Ea=(-11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;CbJ """, ) @@ -42078,18 +28258,11 @@ index = 2109, label = "C11H10-4 + CH3 <=> C12H13-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.447, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(27.447,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-HHH """, ) @@ -42098,18 +28271,11 @@ index = 2110, label = "C11H10-4 + C2H5 <=> C13H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (262, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.0622, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(262,'cm^3/(mol*s)'), n=2.41, Ea=(25.0622,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CsHH """, ) @@ -42118,18 +28284,11 @@ index = 2111, label = "C11H10-4 + C3H7-2 <=> C14H17-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.0414, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(210,'cm^3/(mol*s)'), n=2.41, Ea=(20.0414,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CsCsH """, ) @@ -42138,18 +28297,11 @@ index = 2112, label = "C11H10-4 + C4H9 <=> C15H19-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (156, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1419, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(156,'cm^3/(mol*s)'), n=2.41, Ea=(14.1419,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CsCsCs """, ) @@ -42158,18 +28310,11 @@ index = 2113, label = "C11H10-4 + allyl <=> C14H15-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.7644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5440,'cm^3/(mol*s)'), n=2.41, Ea=(53.7644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdHH """, ) @@ -42178,18 +28323,11 @@ index = 2114, label = "C11H10-4 + C4H7-2 <=> C15H17-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (474, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.7602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(474,'cm^3/(mol*s)'), n=2.41, Ea=(52.7602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCsH """, ) @@ -42198,18 +28336,11 @@ index = 2115, label = "C11H10-4 + C5H9 <=> C16H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (61.3, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.6599, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(61.3,'cm^3/(mol*s)'), n=2.41, Ea=(48.6599,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCsCs """, ) @@ -42218,18 +28349,11 @@ index = 2116, label = "C11H10-4 + C5H7-3 <=> C16H17-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (956, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.7598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(956,'cm^3/(mol*s)'), n=2.41, Ea=(72.7598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCdH """, ) @@ -42238,18 +28362,11 @@ index = 2117, label = "C11H10-4 + C6H9-12 <=> C17H19-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (326, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.0066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(326,'cm^3/(mol*s)'), n=2.41, Ea=(72.0066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CdCdCs """, ) @@ -42258,18 +28375,11 @@ index = 2118, label = "C11H10-4 + C7H7-3 <=> C18H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.0157, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1260,'cm^3/(mol*s)'), n=2.41, Ea=(44.0157,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CbHH """, ) @@ -42278,18 +28388,11 @@ index = 2119, label = "C11H10-4 + C8H9 <=> C19H19-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.0869, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(310,'cm^3/(mol*s)'), n=2.41, Ea=(41.0869,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CbCsH """, ) @@ -42298,18 +28401,11 @@ index = 2120, label = "C11H10-4 + C9H11-15 <=> C20H21-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (49.7, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.8694, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(49.7,'cm^3/(mol*s)'), n=2.41, Ea=(38.8694,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CbCsCs """, ) @@ -42318,18 +28414,11 @@ index = 2121, label = "C3H3 + C11H10-4 <=> C14H13-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.9697, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(42.9697,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CtHH """, ) @@ -42338,18 +28427,11 @@ index = 2122, label = "C4H5-12 + C11H10-4 <=> C15H15-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (263, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(263,'cm^3/(mol*s)'), n=2.41, Ea=(41.045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CtCsH """, ) @@ -42358,18 +28440,11 @@ index = 2123, label = "C5H7-5 + C11H10-4 <=> C16H17-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (67.1, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(67.1,'cm^3/(mol*s)'), n=2.41, Ea=(38.1999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CsJ-CtCsCs """, ) @@ -42378,18 +28453,11 @@ index = 2124, label = "C11H10-4 + C2H3 <=> C13H13-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1760, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1760,'cm^3/(mol*s)'), n=2.41, Ea=(11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CdsJ-H """, ) @@ -42398,18 +28466,11 @@ index = 2125, label = "C11H10-4 + C3H5 <=> C14H15-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (936, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.5018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(936,'cm^3/(mol*s)'), n=2.41, Ea=(10.5018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CdsJ-Cs """, ) @@ -42418,18 +28479,11 @@ index = 2126, label = "C11H10-4 + C6H5 <=> C17H15-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (1.42256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2790,'cm^3/(mol*s)'), n=2.41, Ea=(1.42256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;CbJ """, ) @@ -42438,18 +28492,11 @@ index = 2127, label = "C12H12-4 + CH3 <=> C13H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (26.7776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5470,'cm^3/(mol*s)'), n=2.41, Ea=(26.7776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-HHH """, ) @@ -42458,18 +28505,11 @@ index = 2128, label = "C12H12-4 + C2H5 <=> C14H17-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (556, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3927, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(556,'cm^3/(mol*s)'), n=2.41, Ea=(24.3927,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CsHH """, ) @@ -42478,18 +28518,11 @@ index = 2129, label = "C12H12-4 + C3H7-2 <=> C15H19-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (446, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.3719, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(446,'cm^3/(mol*s)'), n=2.41, Ea=(19.3719,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CsCsH """, ) @@ -42498,18 +28531,11 @@ index = 2130, label = "C12H12-4 + C4H9 <=> C16H21-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.4725, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(330,'cm^3/(mol*s)'), n=2.41, Ea=(13.4725,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CsCsCs """, ) @@ -42518,18 +28544,11 @@ index = 2131, label = "C12H12-4 + allyl <=> C15H17-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.095, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11540,'cm^3/(mol*s)'), n=2.41, Ea=(53.095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdHH """, ) @@ -42538,18 +28557,11 @@ index = 2132, label = "C12H12-4 + C4H7-2 <=> C16H19-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.0908, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(52.0908,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCsH """, ) @@ -42558,18 +28570,11 @@ index = 2133, label = "C12H12-4 + C5H9 <=> C17H21-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (130, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9905, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(130,'cm^3/(mol*s)'), n=2.41, Ea=(47.9905,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCsCs """, ) @@ -42578,18 +28583,11 @@ index = 2134, label = "C12H12-4 + C5H7-3 <=> C17H19-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2030, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.0903, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2030,'cm^3/(mol*s)'), n=2.41, Ea=(72.0903,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCdH """, ) @@ -42598,18 +28596,11 @@ index = 2135, label = "C12H12-4 + C6H9-12 <=> C18H21-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (692, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (71.3372, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(692,'cm^3/(mol*s)'), n=2.41, Ea=(71.3372,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CdCdCs """, ) @@ -42618,18 +28609,11 @@ index = 2136, label = "C12H12-4 + C7H7-3 <=> C19H19-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.3462, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2680,'cm^3/(mol*s)'), n=2.41, Ea=(43.3462,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CbHH """, ) @@ -42638,18 +28622,11 @@ index = 2137, label = "C12H12-4 + C8H9 <=> C20H21-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (658, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.4174, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(658,'cm^3/(mol*s)'), n=2.41, Ea=(40.4174,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CbCsH """, ) @@ -42658,18 +28635,11 @@ index = 2138, label = "C12H12-4 + C9H11-15 <=> C21H23-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (105, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(105,'cm^3/(mol*s)'), n=2.41, Ea=(38.1999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CbCsCs """, ) @@ -42678,18 +28648,11 @@ index = 2139, label = "C12H12-4 + C3H3 <=> C15H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2470, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.3002, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2470,'cm^3/(mol*s)'), n=2.41, Ea=(42.3002,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CtHH """, ) @@ -42698,18 +28661,11 @@ index = 2140, label = "C4H5-12 + C12H12-4 <=> C16H17-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (558, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3756, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(558,'cm^3/(mol*s)'), n=2.41, Ea=(40.3756,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CtCsH """, ) @@ -42718,18 +28674,11 @@ index = 2141, label = "C5H7-5 + C12H12-4 <=> C17H19-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (142, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5305, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(142,'cm^3/(mol*s)'), n=2.41, Ea=(37.5305,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CsJ-CtCsCs """, ) @@ -42738,18 +28687,11 @@ index = 2142, label = "C12H12-4 + C2H3 <=> C14H15-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7529, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3740,'cm^3/(mol*s)'), n=2.41, Ea=(10.7529,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CdsJ-H """, ) @@ -42758,18 +28700,11 @@ index = 2143, label = "C12H12-4 + C3H5 <=> C15H17-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.8324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1980,'cm^3/(mol*s)'), n=2.41, Ea=(9.8324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CdsJ-Cs """, ) @@ -42778,18 +28713,11 @@ index = 2144, label = "C12H12-4 + C6H5 <=> C18H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5910, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.75312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5910,'cm^3/(mol*s)'), n=2.41, Ea=(0.75312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;CbJ """, ) @@ -42798,18 +28726,11 @@ index = 2145, label = "C7H6-5 + CH3 <=> C8H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10200,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-HHH """, ) @@ -42818,18 +28739,11 @@ index = 2146, label = "C7H6-5 + C2H5 <=> C9H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1040,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CsHH """, ) @@ -42838,18 +28752,11 @@ index = 2147, label = "C7H6-5 + C3H7-2 <=> C10H13-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (834, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.0499, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(834,'cm^3/(mol*s)'), n=2.41, Ea=(12.0499,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CsCsH """, ) @@ -42858,18 +28765,11 @@ index = 2148, label = "C7H6-5 + C4H9 <=> C11H15-72", degeneracy = 1.0, - kinetics = Arrhenius( - A = (618, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.15048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(618,'cm^3/(mol*s)'), n=2.41, Ea=(6.15048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CsCsCs """, ) @@ -42878,18 +28778,11 @@ index = 2149, label = "C7H6-5 + allyl <=> C10H11-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21600,'cm^3/(mol*s)'), n=2.41, Ea=(45.773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdHH """, ) @@ -42898,18 +28791,11 @@ index = 2150, label = "C7H6-5 + C4H7-2 <=> C11H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1880,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCsH """, ) @@ -42918,18 +28804,11 @@ index = 2151, label = "C7H6-5 + C5H9 <=> C12H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (243, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.7103, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(243,'cm^3/(mol*s)'), n=2.41, Ea=(40.7103,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCsCs """, ) @@ -42938,18 +28817,11 @@ index = 2152, label = "C7H6-5 + C5H7-3 <=> C12H13-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.7683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3800,'cm^3/(mol*s)'), n=2.41, Ea=(64.7683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCdH """, ) @@ -42958,18 +28830,11 @@ index = 2153, label = "C7H6-5 + C6H9-12 <=> C13H15-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.0152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1300,'cm^3/(mol*s)'), n=2.41, Ea=(64.0152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CdCdCs """, ) @@ -42978,18 +28843,11 @@ index = 2154, label = "C7H6-5 + C7H7-3 <=> C14H13-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.0242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5010,'cm^3/(mol*s)'), n=2.41, Ea=(36.0242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CbHH """, ) @@ -42998,18 +28856,11 @@ index = 2155, label = "C7H6-5 + C8H9 <=> C15H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1230,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CbCsH """, ) @@ -43018,18 +28869,11 @@ index = 2156, label = "C7H6-5 + C9H11-15 <=> C16H17-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (197, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.8779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(197,'cm^3/(mol*s)'), n=2.41, Ea=(30.8779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CbCsCs """, ) @@ -43038,18 +28882,11 @@ index = 2157, label = "C7H6-5 + C3H3 <=> C10H9-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4630, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.0201, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4630,'cm^3/(mol*s)'), n=2.41, Ea=(35.0201,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CtHH """, ) @@ -43058,18 +28895,11 @@ index = 2158, label = "C7H6-5 + C4H5-12 <=> C11H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1040,'cm^3/(mol*s)'), n=2.41, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CtCsH """, ) @@ -43078,18 +28908,11 @@ index = 2159, label = "C5H7-5 + C7H6-5 <=> C12H13-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (266, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2085, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(266,'cm^3/(mol*s)'), n=2.41, Ea=(30.2085,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CsJ-CtCsCs """, ) @@ -43098,18 +28921,11 @@ index = 2160, label = "C7H6-5 + C2H3 <=> C9H9-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.43088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7010,'cm^3/(mol*s)'), n=2.41, Ea=(3.43088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CdsJ-H """, ) @@ -43118,18 +28934,11 @@ index = 2161, label = "C7H6-5 + C3H5 <=> C10H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.55224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3720,'cm^3/(mol*s)'), n=2.41, Ea=(2.55224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CdsJ-Cs """, ) @@ -43138,18 +28947,11 @@ index = 2162, label = "C7H6-5 + C6H5 <=> C13H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.56888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11100,'cm^3/(mol*s)'), n=2.41, Ea=(-6.56888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;CbJ """, ) @@ -43158,18 +28960,11 @@ index = 2163, label = "C8H8-6 + CH3 <=> C9H11-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.079, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(19.079,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-HHH """, ) @@ -43178,18 +28973,11 @@ index = 2164, label = "C8H8-6 + C2H5 <=> C10H13-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.6942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2120,'cm^3/(mol*s)'), n=2.41, Ea=(16.6942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CsHH """, ) @@ -43198,18 +28986,11 @@ index = 2165, label = "C8H8-6 + C3H7-2 <=> C11H15-73", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1708, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1708,'cm^3/(mol*s)'), n=2.41, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CsCsH """, ) @@ -43218,18 +28999,11 @@ index = 2166, label = "C8H8-6 + C4H9 <=> C12H17-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1266, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1266,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CsCsCs """, ) @@ -43238,18 +29012,11 @@ index = 2167, label = "C8H8-6 + allyl <=> C11H13-45", degeneracy = 4.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.3964, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(45.3964,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdHH """, ) @@ -43258,18 +29025,11 @@ index = 2168, label = "C8H8-6 + C4H7-2 <=> C12H15-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3922, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3860,'cm^3/(mol*s)'), n=2.41, Ea=(44.3922,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCsH """, ) @@ -43278,18 +29038,11 @@ index = 2169, label = "C8H8-6 + C5H9 <=> C13H17-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (498, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.3338, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(498,'cm^3/(mol*s)'), n=2.41, Ea=(40.3338,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCsCs """, ) @@ -43298,18 +29051,11 @@ index = 2170, label = "C8H8-6 + C5H7-3 <=> C13H15-64", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7780, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.4336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7780,'cm^3/(mol*s)'), n=2.41, Ea=(64.4336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCdH """, ) @@ -43318,18 +29064,11 @@ index = 2171, label = "C8H8-6 + C6H9-12 <=> C14H17-72", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.6805, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(63.6805,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CdCdCs """, ) @@ -43338,18 +29077,11 @@ index = 2172, label = "C8H8-6 + C7H7-3 <=> C15H15-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10260,'cm^3/(mol*s)'), n=2.41, Ea=(35.6895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CbHH """, ) @@ -43358,18 +29090,11 @@ index = 2173, label = "C8H8-6 + C8H9 <=> C16H17-37", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2520, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7607, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2520,'cm^3/(mol*s)'), n=2.41, Ea=(32.7607,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CbCsH """, ) @@ -43378,18 +29103,11 @@ index = 2174, label = "C8H8-6 + C9H11-15 <=> C17H19-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (404, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5014, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(404,'cm^3/(mol*s)'), n=2.41, Ea=(30.5014,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CbCsCs """, ) @@ -43398,18 +29116,11 @@ index = 2175, label = "C8H8-6 + C3H3 <=> C11H11-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.6435, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9480,'cm^3/(mol*s)'), n=2.41, Ea=(34.6435,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CtHH """, ) @@ -43418,18 +29129,11 @@ index = 2176, label = "C4H5-12 + C8H8-6 <=> C12H13-42", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7189, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2140,'cm^3/(mol*s)'), n=2.41, Ea=(32.7189,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CtCsH """, ) @@ -43438,18 +29142,11 @@ index = 2177, label = "C8H8-6 + C5H7-5 <=> C13H15-65", degeneracy = 2.0, - kinetics = Arrhenius( - A = (546, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.8738, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(546,'cm^3/(mol*s)'), n=2.41, Ea=(29.8738,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CsJ-CtCsCs """, ) @@ -43458,18 +29155,11 @@ index = 2178, label = "C8H8-6 + C2H3 <=> C10H11-46", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14340, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.05432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14340,'cm^3/(mol*s)'), n=2.41, Ea=(3.05432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CdsJ-H """, ) @@ -43478,18 +29168,11 @@ index = 2179, label = "C8H8-6 + C3H5 <=> C11H13-46", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7600,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CdsJ-Cs """, ) @@ -43498,18 +29181,11 @@ index = 2180, label = "C8H8-6 + C6H5 <=> C14H13-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (22600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-6.9036, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22600,'cm^3/(mol*s)'), n=2.41, Ea=(-6.9036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;CbJ """, ) @@ -43518,18 +29194,11 @@ index = 2181, label = "C6H6-8 + CH3 <=> C7H9-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4803, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7570,'cm^3/(mol*s)'), n=2.41, Ea=(35.4803,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-HHH """, ) @@ -43538,18 +29207,11 @@ index = 2182, label = "C6H6-8 + C2H5 <=> C8H11-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (769, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.0954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(769,'cm^3/(mol*s)'), n=2.41, Ea=(33.0954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CsHH """, ) @@ -43558,18 +29220,11 @@ index = 2183, label = "C6H6-8 + C3H7-2 <=> C9H13-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (616, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.0746, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(616,'cm^3/(mol*s)'), n=2.41, Ea=(28.0746,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CsCsH """, ) @@ -43578,18 +29233,11 @@ index = 2184, label = "C6H6-8 + C4H9 <=> C10H15-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (457, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.1752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(457,'cm^3/(mol*s)'), n=2.41, Ea=(22.1752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CsCsCs """, ) @@ -43598,18 +29246,11 @@ index = 2185, label = "C6H6-8 + allyl <=> C9H11-49", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.7977, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15960,'cm^3/(mol*s)'), n=2.41, Ea=(61.7977,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdHH """, ) @@ -43618,18 +29259,11 @@ index = 2186, label = "C6H6-8 + C4H7-2 <=> C10H13-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.7935, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1390,'cm^3/(mol*s)'), n=2.41, Ea=(60.7935,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCsH """, ) @@ -43638,18 +29272,11 @@ index = 2187, label = "C6H6-8 + C5H9 <=> C11H15-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.6932, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(180,'cm^3/(mol*s)'), n=2.41, Ea=(56.6932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCsCs """, ) @@ -43658,18 +29285,11 @@ index = 2188, label = "C6H6-8 + C5H7-3 <=> C11H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.793, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2800,'cm^3/(mol*s)'), n=2.41, Ea=(80.793,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCdH """, ) @@ -43678,18 +29298,11 @@ index = 2189, label = "C6H6-8 + C6H9-12 <=> C12H15-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (957, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.0399, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(957,'cm^3/(mol*s)'), n=2.41, Ea=(80.0399,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CdCdCs """, ) @@ -43698,18 +29311,11 @@ index = 2190, label = "C6H6-8 + C7H7-3 <=> C13H13-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3700,'cm^3/(mol*s)'), n=2.41, Ea=(52.049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CbHH """, ) @@ -43718,18 +29324,11 @@ index = 2191, label = "C6H6-8 + C8H9 <=> C14H15-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (911, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.1202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(911,'cm^3/(mol*s)'), n=2.41, Ea=(49.1202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CbCsH """, ) @@ -43738,18 +29337,11 @@ index = 2192, label = "C6H6-8 + C9H11-15 <=> C15H17-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (146, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(146,'cm^3/(mol*s)'), n=2.41, Ea=(46.9026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CbCsCs """, ) @@ -43758,18 +29350,11 @@ index = 2193, label = "C3H3 + C6H6-8 <=> C9H9-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.003, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3420,'cm^3/(mol*s)'), n=2.41, Ea=(51.003,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CtHH """, ) @@ -43778,18 +29363,11 @@ index = 2194, label = "C6H6-8 + C4H5-12 <=> C10H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (772, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.0783, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(772,'cm^3/(mol*s)'), n=2.41, Ea=(49.0783,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CtCsH """, ) @@ -43798,18 +29376,11 @@ index = 2195, label = "C5H7-5 + C6H6-8 <=> C11H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (197, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.2332, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(197,'cm^3/(mol*s)'), n=2.41, Ea=(46.2332,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CsJ-CtCsCs """, ) @@ -43818,18 +29389,11 @@ index = 2196, label = "C6H6-8 + C2H3 <=> C8H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.4556, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5180,'cm^3/(mol*s)'), n=2.41, Ea=(19.4556,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CdsJ-H """, ) @@ -43838,18 +29402,11 @@ index = 2197, label = "C6H6-8 + C3H5 <=> C9H11-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.5351, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2740,'cm^3/(mol*s)'), n=2.41, Ea=(18.5351,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CdsJ-Cs """, ) @@ -43858,18 +29415,11 @@ index = 2198, label = "C6H6-8 + C6H5 <=> C12H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8180,'cm^3/(mol*s)'), n=2.41, Ea=(9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;CbJ """, ) @@ -43878,18 +29428,11 @@ index = 2199, label = "CH3 + C3H4 <=> C4H7-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.4678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39000,'cm^3/(mol*s)'), n=2.41, Ea=(32.4678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-HHH """, ) @@ -43898,18 +29441,11 @@ index = 2200, label = "C3H4 + C2H5 <=> C5H9-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.083, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3960,'cm^3/(mol*s)'), n=2.41, Ea=(30.083,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CsHH """, ) @@ -43918,18 +29454,11 @@ index = 2201, label = "C3H4 + C3H7-2 <=> C6H11-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CsCsH """, ) @@ -43938,18 +29467,11 @@ index = 2202, label = "C3H4 + C4H9 <=> C7H13-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.1627, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2350,'cm^3/(mol*s)'), n=2.41, Ea=(19.1627,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CsCsCs """, ) @@ -43958,18 +29480,11 @@ index = 2203, label = "C3H4 + allyl <=> C6H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (82400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.7852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(82400,'cm^3/(mol*s)'), n=2.41, Ea=(58.7852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdHH """, ) @@ -43978,18 +29493,11 @@ index = 2204, label = "C3H4 + C4H7-2 <=> C7H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.781, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7170,'cm^3/(mol*s)'), n=2.41, Ea=(57.781,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCsH """, ) @@ -43998,18 +29506,11 @@ index = 2205, label = "C3H4 + C5H9 <=> C8H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (927, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.7226, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(927,'cm^3/(mol*s)'), n=2.41, Ea=(53.7226,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCsCs """, ) @@ -44018,18 +29519,11 @@ index = 2206, label = "C3H4 + C5H7-3 <=> C8H11-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.8224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14500,'cm^3/(mol*s)'), n=2.41, Ea=(77.8224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCdH """, ) @@ -44038,18 +29532,11 @@ index = 2207, label = "C3H4 + C6H9-12 <=> C9H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (77.0693, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4940,'cm^3/(mol*s)'), n=2.41, Ea=(77.0693,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CdCdCs """, ) @@ -44058,18 +29545,11 @@ index = 2208, label = "C3H4 + C7H7-3 <=> C10H11-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.0783, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19100,'cm^3/(mol*s)'), n=2.41, Ea=(49.0783,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CbHH """, ) @@ -44078,18 +29558,11 @@ index = 2209, label = "C3H4 + C8H9 <=> C11H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4690, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1495, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4690,'cm^3/(mol*s)'), n=2.41, Ea=(46.1495,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CbCsH """, ) @@ -44098,18 +29571,11 @@ index = 2210, label = "C3H4 + C9H11-15 <=> C12H15-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (751, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(751,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CbCsCs """, ) @@ -44118,18 +29584,11 @@ index = 2211, label = "C3H3 + C3H4 <=> C6H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0323, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17600,'cm^3/(mol*s)'), n=2.41, Ea=(48.0323,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CtHH """, ) @@ -44138,18 +29597,11 @@ index = 2212, label = "C4H5-12 + C3H4 <=> C7H9-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3980, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.1077, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3980,'cm^3/(mol*s)'), n=2.41, Ea=(46.1077,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CtCsH """, ) @@ -44158,18 +29610,11 @@ index = 2213, label = "C5H7-5 + C3H4 <=> C8H11-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2626, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1010,'cm^3/(mol*s)'), n=2.41, Ea=(43.2626,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CsJ-CtCsCs """, ) @@ -44178,18 +29623,11 @@ index = 2214, label = "C2H3 + C3H4 <=> C5H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (26700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.4431, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26700,'cm^3/(mol*s)'), n=2.41, Ea=(16.4431,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CdsJ-H """, ) @@ -44198,18 +29636,11 @@ index = 2215, label = "C3H4 + C3H5 <=> C6H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.5645, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(15.5645,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CdsJ-Cs """, ) @@ -44218,18 +29649,11 @@ index = 2216, label = "C3H4 + C6H5 <=> C9H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (42200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(42200,'cm^3/(mol*s)'), n=2.41, Ea=(6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CbJ """, ) @@ -44238,18 +29662,11 @@ index = 2217, label = "CH3 + C4H6-4 <=> C5H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.1583, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44700,'cm^3/(mol*s)'), n=2.41, Ea=(28.1583,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-HHH """, ) @@ -44258,18 +29675,11 @@ index = 2218, label = "C4H6-4 + C2H5 <=> C6H11-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4540, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.8153, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4540,'cm^3/(mol*s)'), n=2.41, Ea=(25.8153,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CsHH """, ) @@ -44278,18 +29688,11 @@ index = 2219, label = "C4H6-4 + C3H7-2 <=> C7H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7945, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3640,'cm^3/(mol*s)'), n=2.41, Ea=(20.7945,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CsCsH """, ) @@ -44298,18 +29701,11 @@ index = 2220, label = "C4H6-4 + C4H9 <=> C8H15-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.895, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2700,'cm^3/(mol*s)'), n=2.41, Ea=(14.895,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CsCsCs """, ) @@ -44318,18 +29714,11 @@ index = 2221, label = "C4H6-4 + allyl <=> C7H11-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (94400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.4757, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(94400,'cm^3/(mol*s)'), n=2.41, Ea=(54.4757,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdHH """, ) @@ -44338,18 +29727,11 @@ index = 2222, label = "C4H6-4 + C4H7-2 <=> C8H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.5134, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8220,'cm^3/(mol*s)'), n=2.41, Ea=(53.5134,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCsH """, ) @@ -44358,18 +29740,11 @@ index = 2223, label = "C4H6-4 + C5H9 <=> C9H15-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.413, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1060,'cm^3/(mol*s)'), n=2.41, Ea=(49.413,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCsCs """, ) @@ -44378,18 +29753,11 @@ index = 2224, label = "C4H6-4 + C5H7-3 <=> C9H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.5129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16600,'cm^3/(mol*s)'), n=2.41, Ea=(73.5129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCdH """, ) @@ -44398,18 +29766,11 @@ index = 2225, label = "C4H6-4 + C6H9-12 <=> C10H15-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.7598, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5660,'cm^3/(mol*s)'), n=2.41, Ea=(72.7598,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CdCdCs """, ) @@ -44418,18 +29779,11 @@ index = 2226, label = "C4H6-4 + C7H7-3 <=> C11H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.7688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21900,'cm^3/(mol*s)'), n=2.41, Ea=(44.7688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CbHH """, ) @@ -44438,18 +29792,11 @@ index = 2227, label = "C4H6-4 + C8H9 <=> C12H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.84, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5380,'cm^3/(mol*s)'), n=2.41, Ea=(41.84,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CbCsH """, ) @@ -44458,18 +29805,11 @@ index = 2228, label = "C4H6-4 + C9H11-15 <=> C13H17-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (861, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.5806, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(861,'cm^3/(mol*s)'), n=2.41, Ea=(39.5806,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CbCsCs """, ) @@ -44478,18 +29818,11 @@ index = 2229, label = "C3H3 + C4H6-4 <=> C7H9-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7228, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(43.7228,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CtHH """, ) @@ -44498,18 +29831,11 @@ index = 2230, label = "C4H5-12 + C4H6-4 <=> C8H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.7982, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(41.7982,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CtCsH """, ) @@ -44518,18 +29844,11 @@ index = 2231, label = "C5H7-5 + C4H6-4 <=> C9H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1160, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.953, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1160,'cm^3/(mol*s)'), n=2.41, Ea=(38.953,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CsJ-CtCsCs """, ) @@ -44538,18 +29857,11 @@ index = 2232, label = "C2H3 + C4H6-4 <=> C6H9-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.1754, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30600,'cm^3/(mol*s)'), n=2.41, Ea=(12.1754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CdsJ-H """, ) @@ -44558,18 +29870,11 @@ index = 2233, label = "C4H6-4 + C3H5 <=> C7H11-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.255, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(11.255,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CdsJ-Cs """, ) @@ -44578,18 +29883,11 @@ index = 2234, label = "C4H6-4 + C6H5 <=> C10H11-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.17568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48300,'cm^3/(mol*s)'), n=2.41, Ea=(2.17568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;CbJ """, ) @@ -44598,18 +29896,11 @@ index = 2235, label = "CH3 + C5H8-6 <=> C6H11-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (57300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.4346, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(57300,'cm^3/(mol*s)'), n=2.41, Ea=(24.4346,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-HHH """, ) @@ -44618,18 +29909,11 @@ index = 2236, label = "C5H8-6 + C2H5 <=> C7H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5820, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.0497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5820,'cm^3/(mol*s)'), n=2.41, Ea=(22.0497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CsHH """, ) @@ -44638,18 +29922,11 @@ index = 2237, label = "C5H8-6 + C3H7-2 <=> C8H15-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.0707, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4670,'cm^3/(mol*s)'), n=2.41, Ea=(17.0707,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CsCsH """, ) @@ -44658,18 +29935,11 @@ index = 2238, label = "C5H8-6 + C4H9 <=> C9H17-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3460,'cm^3/(mol*s)'), n=2.41, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CsCsCs """, ) @@ -44678,18 +29948,11 @@ index = 2239, label = "C5H8-6 + allyl <=> C8H13-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (121000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.7519, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(121000,'cm^3/(mol*s)'), n=2.41, Ea=(50.7519,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdHH """, ) @@ -44698,18 +29961,11 @@ index = 2240, label = "C5H8-6 + C4H7-2 <=> C9H15-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7478, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10500,'cm^3/(mol*s)'), n=2.41, Ea=(49.7478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCsH """, ) @@ -44718,18 +29974,11 @@ index = 2241, label = "C5H8-6 + C5H9 <=> C10H17-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6893, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1360,'cm^3/(mol*s)'), n=2.41, Ea=(45.6893,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCsCs """, ) @@ -44738,18 +29987,11 @@ index = 2242, label = "C5H8-6 + C5H7-3 <=> C10H15-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.7891, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21200,'cm^3/(mol*s)'), n=2.41, Ea=(69.7891,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCdH """, ) @@ -44758,18 +30000,11 @@ index = 2243, label = "C5H8-6 + C6H9-12 <=> C11H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7250, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.9942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7250,'cm^3/(mol*s)'), n=2.41, Ea=(68.9942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CdCdCs """, ) @@ -44778,18 +30013,11 @@ index = 2244, label = "C5H8-6 + C7H7-3 <=> C12H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (28000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.045, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(28000,'cm^3/(mol*s)'), n=2.41, Ea=(41.045,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CbHH """, ) @@ -44798,18 +30026,11 @@ index = 2245, label = "C5H8-6 + C8H9 <=> C13H17-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6890,'cm^3/(mol*s)'), n=2.41, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CbCsH """, ) @@ -44818,18 +30039,11 @@ index = 2246, label = "C5H8-6 + C9H11-15 <=> C14H19-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.8569, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1100,'cm^3/(mol*s)'), n=2.41, Ea=(35.8569,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CbCsCs """, ) @@ -44838,18 +30052,11 @@ index = 2247, label = "C3H3 + C5H8-6 <=> C8H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.999, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25900,'cm^3/(mol*s)'), n=2.41, Ea=(39.999,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CtHH """, ) @@ -44858,18 +30065,11 @@ index = 2248, label = "C4H5-12 + C5H8-6 <=> C9H13-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5840, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5840,'cm^3/(mol*s)'), n=2.41, Ea=(38.0326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CtCsH """, ) @@ -44878,18 +30078,11 @@ index = 2249, label = "C5H7-5 + C5H8-6 <=> C10H15-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1490, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1490,'cm^3/(mol*s)'), n=2.41, Ea=(35.1874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CsJ-CtCsCs """, ) @@ -44898,18 +30091,11 @@ index = 2250, label = "C2H3 + C5H8-6 <=> C7H11-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39200,'cm^3/(mol*s)'), n=2.41, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CdsJ-H """, ) @@ -44918,18 +30104,11 @@ index = 2251, label = "C5H8-6 + C3H5 <=> C8H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.5312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(7.5312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CdsJ-Cs """, ) @@ -44938,18 +30117,11 @@ index = 2252, label = "C5H8-6 + C6H5 <=> C11H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (61900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.54808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(61900,'cm^3/(mol*s)'), n=2.41, Ea=(-1.54808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;CbJ """, ) @@ -44958,18 +30130,11 @@ index = 2253, label = "C2H2 + CH3 <=> C3H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (133800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.3257, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(133800,'cm^3/(mol*s)'), n=2.41, Ea=(28.3257,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-HHH """, ) @@ -44978,18 +30143,11 @@ index = 2254, label = "C2H2 + C2H5 <=> C4H7-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.9408, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13600,'cm^3/(mol*s)'), n=2.41, Ea=(25.9408,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CsHH """, ) @@ -44998,18 +30156,11 @@ index = 2255, label = "C2H2 + C3H7-2 <=> C5H9-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.9618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10900,'cm^3/(mol*s)'), n=2.41, Ea=(20.9618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CsCsH """, ) @@ -45018,18 +30169,11 @@ index = 2256, label = "C2H2 + C4H9 <=> C6H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8080, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.0206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8080,'cm^3/(mol*s)'), n=2.41, Ea=(15.0206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CsCsCs """, ) @@ -45038,18 +30182,11 @@ index = 2257, label = "C2H2 + allyl <=> C5H7", degeneracy = 4.0, - kinetics = Arrhenius( - A = (282400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282400,'cm^3/(mol*s)'), n=2.41, Ea=(54.643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdHH """, ) @@ -45058,18 +30195,11 @@ index = 2258, label = "C2H2 + C4H7-2 <=> C6H9-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.6389, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24600,'cm^3/(mol*s)'), n=2.41, Ea=(53.6389,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCsH """, ) @@ -45078,18 +30208,11 @@ index = 2259, label = "C2H2 + C5H9 <=> C7H11-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3180, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.5804, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3180,'cm^3/(mol*s)'), n=2.41, Ea=(49.5804,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCsCs """, ) @@ -45098,18 +30221,11 @@ index = 2260, label = "C2H2 + C5H7-3 <=> C7H9-49", degeneracy = 2.0, - kinetics = Arrhenius( - A = (49600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (73.6802, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(49600,'cm^3/(mol*s)'), n=2.41, Ea=(73.6802,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCdH """, ) @@ -45118,18 +30234,11 @@ index = 2261, label = "C2H2 + C6H9-12 <=> C8H11-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (72.9271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16940,'cm^3/(mol*s)'), n=2.41, Ea=(72.9271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CdCdCs """, ) @@ -45138,18 +30247,11 @@ index = 2262, label = "C2H2 + C7H7-3 <=> C9H9-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (65600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.9362, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(65600,'cm^3/(mol*s)'), n=2.41, Ea=(44.9362,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CbHH """, ) @@ -45158,18 +30260,11 @@ index = 2263, label = "C2H2 + C8H9 <=> C10H11-50", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.0074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16120,'cm^3/(mol*s)'), n=2.41, Ea=(42.0074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CbCsH """, ) @@ -45178,18 +30273,11 @@ index = 2264, label = "C2H2 + C9H11-15 <=> C11H13-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2580,'cm^3/(mol*s)'), n=2.41, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CbCsCs """, ) @@ -45198,18 +30286,11 @@ index = 2265, label = "C3H3 + C2H2 <=> C5H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (60600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(60600,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CtHH """, ) @@ -45218,18 +30299,11 @@ index = 2266, label = "C4H5-12 + C2H2 <=> C6H7-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9655, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13660,'cm^3/(mol*s)'), n=2.41, Ea=(41.9655,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CtCsH """, ) @@ -45238,18 +30312,11 @@ index = 2267, label = "C5H7-5 + C2H2 <=> C7H9-50", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3480, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.0786, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3480,'cm^3/(mol*s)'), n=2.41, Ea=(39.0786,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CsJ-CtCsCs """, ) @@ -45258,18 +30325,11 @@ index = 2268, label = "C2H2 + C2H3 <=> C4H5-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (91600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(91600,'cm^3/(mol*s)'), n=2.41, Ea=(12.301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CdsJ-H """, ) @@ -45278,18 +30338,11 @@ index = 2269, label = "C2H2 + C3H5 <=> C5H7-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (48600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.4223, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48600,'cm^3/(mol*s)'), n=2.41, Ea=(11.4223,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CdsJ-Cs """, ) @@ -45298,18 +30351,11 @@ index = 2270, label = "C2H2 + C6H5 <=> C8H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (144600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (2.34304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(144600,'cm^3/(mol*s)'), n=2.41, Ea=(2.34304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CbJ """, ) @@ -45318,18 +30364,11 @@ index = 2271, label = "C3H4-2 + CH3 <=> C4H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (178000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(178000,'cm^3/(mol*s)'), n=2.41, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-HHH """, ) @@ -45338,18 +30377,11 @@ index = 2272, label = "C3H4-2 + C2H5 <=> C5H9-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7399, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(27.7399,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CsHH """, ) @@ -45358,18 +30390,11 @@ index = 2273, label = "C3H4-2 + C3H7-2 <=> C6H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.761, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14500,'cm^3/(mol*s)'), n=2.41, Ea=(22.761,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CsCsH """, ) @@ -45378,18 +30403,11 @@ index = 2274, label = "C3H4-2 + C4H9 <=> C7H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.8197, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10700,'cm^3/(mol*s)'), n=2.41, Ea=(16.8197,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CsCsCs """, ) @@ -45398,18 +30416,11 @@ index = 2275, label = "C3H4-2 + allyl <=> C6H9-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (376000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.4422, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(376000,'cm^3/(mol*s)'), n=2.41, Ea=(56.4422,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdHH """, ) @@ -45418,18 +30429,11 @@ index = 2276, label = "C3H4-2 + C4H7-2 <=> C7H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32700,'cm^3/(mol*s)'), n=2.41, Ea=(55.438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCsH """, ) @@ -45438,18 +30442,11 @@ index = 2277, label = "C3H4-2 + C5H9 <=> C8H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.3795, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4220,'cm^3/(mol*s)'), n=2.41, Ea=(51.3795,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCsCs """, ) @@ -45458,18 +30455,11 @@ index = 2278, label = "C3H4-2 + C5H7-3 <=> C8H11-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (65900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (75.4794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(65900,'cm^3/(mol*s)'), n=2.41, Ea=(75.4794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCdH """, ) @@ -45478,18 +30468,11 @@ index = 2279, label = "C3H4-2 + C6H9-12 <=> C9H13-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (74.7262, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22500,'cm^3/(mol*s)'), n=2.41, Ea=(74.7262,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CdCdCs """, ) @@ -45498,18 +30481,11 @@ index = 2280, label = "C3H4-2 + C7H7-3 <=> C10H11-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (87000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.7353, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(87000,'cm^3/(mol*s)'), n=2.41, Ea=(46.7353,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CbHH """, ) @@ -45518,18 +30494,11 @@ index = 2281, label = "C3H4-2 + C8H9 <=> C11H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8065, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21400,'cm^3/(mol*s)'), n=2.41, Ea=(43.8065,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CbCsH """, ) @@ -45538,18 +30507,11 @@ index = 2282, label = "C3H4-2 + C9H11-15 <=> C12H15-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.5471, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3420,'cm^3/(mol*s)'), n=2.41, Ea=(41.5471,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CbCsCs """, ) @@ -45558,18 +30520,11 @@ index = 2283, label = "C3H3 + C3H4-2 <=> C6H7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (80400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6893, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(80400,'cm^3/(mol*s)'), n=2.41, Ea=(45.6893,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CtHH """, ) @@ -45578,18 +30533,11 @@ index = 2284, label = "C4H5-12 + C3H4-2 <=> C7H9-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.7646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(43.7646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CtCsH """, ) @@ -45598,18 +30546,11 @@ index = 2285, label = "C5H7-5 + C3H4-2 <=> C8H11-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4620,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CsJ-CtCsCs """, ) @@ -45618,18 +30559,11 @@ index = 2286, label = "C3H4-2 + C2H3 <=> C5H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (122000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1001, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(122000,'cm^3/(mol*s)'), n=2.41, Ea=(14.1001,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CdsJ-H """, ) @@ -45638,18 +30572,11 @@ index = 2287, label = "C3H4-2 + C3H5 <=> C6H9-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.2214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64500,'cm^3/(mol*s)'), n=2.41, Ea=(13.2214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CdsJ-Cs """, ) @@ -45658,18 +30585,11 @@ index = 2288, label = "C3H4-2 + C6H5 <=> C9H9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (192000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.14216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(192000,'cm^3/(mol*s)'), n=2.41, Ea=(4.14216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;CbJ """, ) @@ -45678,18 +30598,11 @@ index = 2289, label = "C4H4-3 + CH3 <=> C5H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (21700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.5686, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21700,'cm^3/(mol*s)'), n=2.41, Ea=(16.5686,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-HHH """, ) @@ -45698,18 +30611,11 @@ index = 2290, label = "C4H4-3 + C2H5 <=> C6H9-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2210,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CsHH """, ) @@ -45718,18 +30624,11 @@ index = 2291, label = "C4H4-3 + C3H7-2 <=> C7H11-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.16296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1770,'cm^3/(mol*s)'), n=2.41, Ea=(9.16296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CsCsH """, ) @@ -45738,18 +30637,11 @@ index = 2292, label = "C4H4-3 + C4H9 <=> C8H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1310, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.26352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1310,'cm^3/(mol*s)'), n=2.41, Ea=(3.26352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CsCsCs """, ) @@ -45758,18 +30650,11 @@ index = 2293, label = "C4H4-3 + allyl <=> C7H9-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (45800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (42.8442, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(45800,'cm^3/(mol*s)'), n=2.41, Ea=(42.8442,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdHH """, ) @@ -45778,18 +30663,11 @@ index = 2294, label = "C4H4-3 + C4H7-2 <=> C8H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.8818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4000,'cm^3/(mol*s)'), n=2.41, Ea=(41.8818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCsH """, ) @@ -45798,18 +30676,11 @@ index = 2295, label = "C4H4-3 + C5H9 <=> C9H13-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (517, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.7815, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(517,'cm^3/(mol*s)'), n=2.41, Ea=(37.7815,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCsCs """, ) @@ -45818,18 +30689,11 @@ index = 2296, label = "C4H4-3 + C5H7-3 <=> C9H11-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8060, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.8814, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8060,'cm^3/(mol*s)'), n=2.41, Ea=(61.8814,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCdH """, ) @@ -45838,18 +30702,11 @@ index = 2297, label = "C4H4-3 + C6H9-12 <=> C10H13-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.1282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2750,'cm^3/(mol*s)'), n=2.41, Ea=(61.1282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CdCdCs """, ) @@ -45858,18 +30715,11 @@ index = 2298, label = "C4H4-3 + C7H7-3 <=> C11H11-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.1373, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10600,'cm^3/(mol*s)'), n=2.41, Ea=(33.1373,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CbHH """, ) @@ -45878,18 +30728,11 @@ index = 2299, label = "C4H4-3 + C8H9 <=> C12H13-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2620, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.2085, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2620,'cm^3/(mol*s)'), n=2.41, Ea=(30.2085,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CbCsH """, ) @@ -45898,18 +30741,11 @@ index = 2300, label = "C4H4-3 + C9H11-15 <=> C13H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (419, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.9491, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(419,'cm^3/(mol*s)'), n=2.41, Ea=(27.9491,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CbCsCs """, ) @@ -45918,18 +30754,11 @@ index = 2301, label = "C3H3 + C4H4-3 <=> C7H7-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9830, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.0913, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9830,'cm^3/(mol*s)'), n=2.41, Ea=(32.0913,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CtHH """, ) @@ -45938,18 +30767,11 @@ index = 2302, label = "C4H5-12 + C4H4-3 <=> C8H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2220, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.1666, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2220,'cm^3/(mol*s)'), n=2.41, Ea=(30.1666,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CtCsH """, ) @@ -45958,18 +30780,11 @@ index = 2303, label = "C5H7-5 + C4H4-3 <=> C9H11-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (566, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.3215, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(566,'cm^3/(mol*s)'), n=2.41, Ea=(27.3215,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CsJ-CtCsCs """, ) @@ -45978,18 +30793,11 @@ index = 2304, label = "C4H4-3 + C2H3 <=> C6H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.54392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14900,'cm^3/(mol*s)'), n=2.41, Ea=(0.54392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CdsJ-H """, ) @@ -45998,18 +30806,11 @@ index = 2305, label = "C4H4-3 + C3H5 <=> C7H9-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.37656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7890,'cm^3/(mol*s)'), n=2.41, Ea=(-0.37656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CdsJ-Cs """, ) @@ -46018,18 +30819,11 @@ index = 2306, label = "C4H4-3 + C6H5 <=> C10H9-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23500,'cm^3/(mol*s)'), n=2.41, Ea=(-9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;CbJ """, ) @@ -46038,18 +30832,11 @@ index = 2307, label = "C4H2 + CH3 <=> C5H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (578000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.1838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(578000,'cm^3/(mol*s)'), n=2.41, Ea=(14.1838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-HHH """, ) @@ -46058,18 +30845,11 @@ index = 2308, label = "C4H2 + C2H5 <=> C6H7-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (58600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(58600,'cm^3/(mol*s)'), n=2.41, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CsHH """, ) @@ -46078,18 +30858,11 @@ index = 2309, label = "C4H2 + C3H7-2 <=> C7H9-54", degeneracy = 2.0, - kinetics = Arrhenius( - A = (47000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.81992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(47000,'cm^3/(mol*s)'), n=2.41, Ea=(6.81992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CsCsH """, ) @@ -46098,18 +30871,11 @@ index = 2310, label = "C4H2 + C4H9 <=> C8H11-48", degeneracy = 2.0, - kinetics = Arrhenius( - A = (34800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34800,'cm^3/(mol*s)'), n=2.41, Ea=(0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CsCsCs """, ) @@ -46118,18 +30884,11 @@ index = 2311, label = "C4H2 + allyl <=> C7H7-11", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.22e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5011, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.22e+06,'cm^3/(mol*s)'), n=2.41, Ea=(40.5011,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdHH """, ) @@ -46138,18 +30897,11 @@ index = 2312, label = "C4H2 + C4H7-2 <=> C8H9-19", degeneracy = 2.0, - kinetics = Arrhenius( - A = (106200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.497, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(106200,'cm^3/(mol*s)'), n=2.41, Ea=(39.497,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCsH """, ) @@ -46158,18 +30910,11 @@ index = 2313, label = "C4H2 + C5H9 <=> C9H11-53", degeneracy = 2.0, - kinetics = Arrhenius( - A = (13720, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.4385, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13720,'cm^3/(mol*s)'), n=2.41, Ea=(35.4385,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCsCs """, ) @@ -46178,18 +30923,11 @@ index = 2314, label = "C4H2 + C5H7-3 <=> C9H9-29", degeneracy = 2.0, - kinetics = Arrhenius( - A = (214000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.4965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(214000,'cm^3/(mol*s)'), n=2.41, Ea=(59.4965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCdH """, ) @@ -46198,18 +30936,11 @@ index = 2315, label = "C4H2 + C6H9-12 <=> C10H11-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (73000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.7434, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(73000,'cm^3/(mol*s)'), n=2.41, Ea=(58.7434,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CdCdCs """, ) @@ -46218,18 +30949,11 @@ index = 2316, label = "C4H2 + C7H7-3 <=> C11H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (282000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.7524, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(282000,'cm^3/(mol*s)'), n=2.41, Ea=(30.7524,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CbHH """, ) @@ -46238,18 +30962,11 @@ index = 2317, label = "C4H2 + C8H9 <=> C12H11-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (69400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.8654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(69400,'cm^3/(mol*s)'), n=2.41, Ea=(27.8654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CbCsH """, ) @@ -46258,18 +30975,11 @@ index = 2318, label = "C4H2 + C9H11-15 <=> C13H13-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.6061, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11120,'cm^3/(mol*s)'), n=2.41, Ea=(25.6061,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CbCsCs """, ) @@ -46278,18 +30988,11 @@ index = 2319, label = "C4H2 + C3H3 <=> C7H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (262000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.7482, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(262000,'cm^3/(mol*s)'), n=2.41, Ea=(29.7482,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CtHH """, ) @@ -46298,18 +31001,11 @@ index = 2320, label = "C4H2 + C4H5-12 <=> C8H7-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (58800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.7818, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(58800,'cm^3/(mol*s)'), n=2.41, Ea=(27.7818,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CtCsH """, ) @@ -46318,18 +31014,11 @@ index = 2321, label = "C4H2 + C5H7-5 <=> C9H9-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (15020, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.9366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15020,'cm^3/(mol*s)'), n=2.41, Ea=(24.9366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CsJ-CtCsCs """, ) @@ -46338,18 +31027,11 @@ index = 2322, label = "C4H2 + C2H3 <=> C6H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (394000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.84096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(394000,'cm^3/(mol*s)'), n=2.41, Ea=(-1.84096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CdsJ-H """, ) @@ -46358,18 +31040,11 @@ index = 2323, label = "C4H2 + C3H5 <=> C7H7-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (210000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.7196, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(210000,'cm^3/(mol*s)'), n=2.41, Ea=(-2.7196,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CdsJ-Cs """, ) @@ -46378,18 +31053,11 @@ index = 2324, label = "C4H2 + C6H5 <=> C10H7-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (624000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(624000,'cm^3/(mol*s)'), n=2.41, Ea=(-11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;CbJ """, ) @@ -46398,18 +31066,11 @@ index = 2325, label = "C3H4-4 + CH3 <=> C4H7-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (138000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.8192, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(138000,'cm^3/(mol*s)'), n=2.41, Ea=(36.8192,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-HHH """, ) @@ -46418,18 +31079,11 @@ index = 2326, label = "C3H4-4 + C2H5 <=> C5H9-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4343, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14000,'cm^3/(mol*s)'), n=2.41, Ea=(34.4343,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CsHH """, ) @@ -46438,18 +31092,11 @@ index = 2327, label = "C3H4-4 + C3H7-2 <=> C6H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.4554, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11300,'cm^3/(mol*s)'), n=2.41, Ea=(29.4554,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CsCsH """, ) @@ -46458,18 +31105,11 @@ index = 2328, label = "C3H4-4 + C4H9 <=> C7H13-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8350, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.5141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8350,'cm^3/(mol*s)'), n=2.41, Ea=(23.5141,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CsCsCs """, ) @@ -46478,18 +31118,11 @@ index = 2329, label = "C3H4-4 + allyl <=> C6H9-31", degeneracy = 2.0, - kinetics = Arrhenius( - A = (292000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.1366, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(292000,'cm^3/(mol*s)'), n=2.41, Ea=(63.1366,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdHH """, ) @@ -46498,18 +31131,11 @@ index = 2330, label = "C3H4-4 + C4H7-2 <=> C7H11-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.1324, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25400,'cm^3/(mol*s)'), n=2.41, Ea=(62.1324,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCsH """, ) @@ -46518,18 +31144,11 @@ index = 2331, label = "C3H4-4 + C5H9 <=> C8H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3290, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (58.0739, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3290,'cm^3/(mol*s)'), n=2.41, Ea=(58.0739,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCsCs """, ) @@ -46538,18 +31157,11 @@ index = 2332, label = "C3H4-4 + C5H7-3 <=> C8H11-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (51300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.1319, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(51300,'cm^3/(mol*s)'), n=2.41, Ea=(82.1319,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCdH """, ) @@ -46558,18 +31170,11 @@ index = 2333, label = "C3H4-4 + C6H9-12 <=> C9H13-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (17500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.3788, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17500,'cm^3/(mol*s)'), n=2.41, Ea=(81.3788,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CdCdCs """, ) @@ -46578,18 +31183,11 @@ index = 2334, label = "C3H4-4 + C7H7-3 <=> C10H11-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (67700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.3878, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(67700,'cm^3/(mol*s)'), n=2.41, Ea=(53.3878,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CbHH """, ) @@ -46598,18 +31196,11 @@ index = 2335, label = "C3H4-4 + C8H9 <=> C11H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.5009, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16600,'cm^3/(mol*s)'), n=2.41, Ea=(50.5009,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CbCsH """, ) @@ -46618,18 +31209,11 @@ index = 2336, label = "C3H4-4 + C9H11-15 <=> C12H15-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.2415, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2660,'cm^3/(mol*s)'), n=2.41, Ea=(48.2415,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CbCsCs """, ) @@ -46638,18 +31222,11 @@ index = 2337, label = "C3H3 + C3H4-4 <=> C6H7-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (62600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3837, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(62600,'cm^3/(mol*s)'), n=2.41, Ea=(52.3837,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CtHH """, ) @@ -46658,18 +31235,11 @@ index = 2338, label = "C4H5-12 + C3H4-4 <=> C7H9-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.4172, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14100,'cm^3/(mol*s)'), n=2.41, Ea=(50.4172,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CtCsH """, ) @@ -46678,18 +31248,11 @@ index = 2339, label = "C5H7-5 + C3H4-4 <=> C8H11-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5721, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3600,'cm^3/(mol*s)'), n=2.41, Ea=(47.5721,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CsJ-CtCsCs """, ) @@ -46698,18 +31261,11 @@ index = 2340, label = "C3H4-4 + C2H3 <=> C5H7-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (94600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7945, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(94600,'cm^3/(mol*s)'), n=2.41, Ea=(20.7945,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CdsJ-H """, ) @@ -46718,18 +31274,11 @@ index = 2341, label = "C3H4-4 + C3H5 <=> C6H9-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (50200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.9158, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50200,'cm^3/(mol*s)'), n=2.41, Ea=(19.9158,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CdsJ-Cs """, ) @@ -46738,18 +31287,11 @@ index = 2342, label = "C3H4-4 + C6H5 <=> C9H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (150000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(150000,'cm^3/(mol*s)'), n=2.41, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;CbJ """, ) @@ -46758,18 +31300,11 @@ index = 2343, label = "CH3 + C4H6-5 <=> C5H9-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (734000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6183, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(734000,'cm^3/(mol*s)'), n=2.41, Ea=(38.6183,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-HHH """, ) @@ -46778,18 +31313,11 @@ index = 2344, label = "C2H5 + C4H6-5 <=> C6H11-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (74600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2334, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(74600,'cm^3/(mol*s)'), n=2.41, Ea=(36.2334,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CsHH """, ) @@ -46798,18 +31326,11 @@ index = 2345, label = "C3H7-2 + C4H6-5 <=> C7H13-30", degeneracy = 2.0, - kinetics = Arrhenius( - A = (59800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.2545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(59800,'cm^3/(mol*s)'), n=2.41, Ea=(31.2545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CsCsH """, ) @@ -46818,18 +31339,11 @@ index = 2346, label = "C4H6-5 + C4H9 <=> C8H15-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.3132, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(25.3132,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CsCsCs """, ) @@ -46838,18 +31352,11 @@ index = 2347, label = "allyl + C4H6-5 <=> C7H11-48", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.552e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.9357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.552e+06,'cm^3/(mol*s)'), n=2.41, Ea=(64.9357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdHH """, ) @@ -46858,18 +31365,11 @@ index = 2348, label = "C4H7-2 + C4H6-5 <=> C8H13-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (135000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.9315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(135000,'cm^3/(mol*s)'), n=2.41, Ea=(63.9315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCsH """, ) @@ -46878,18 +31378,11 @@ index = 2349, label = "C5H9 + C4H6-5 <=> C9H15-54", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.873, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17460,'cm^3/(mol*s)'), n=2.41, Ea=(59.873,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCsCs """, ) @@ -46898,18 +31391,11 @@ index = 2350, label = "C5H7-3 + C4H6-5 <=> C9H13-66", degeneracy = 2.0, - kinetics = Arrhenius( - A = (272000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.931, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(272000,'cm^3/(mol*s)'), n=2.41, Ea=(83.931,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCdH """, ) @@ -46918,18 +31404,11 @@ index = 2351, label = "C6H9-12 + C4H6-5 <=> C10H15-65", degeneracy = 2.0, - kinetics = Arrhenius( - A = (93000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.1779, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(93000,'cm^3/(mol*s)'), n=2.41, Ea=(83.1779,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CdCdCs """, ) @@ -46938,18 +31417,11 @@ index = 2352, label = "C7H7-3 + C4H6-5 <=> C11H13-55", degeneracy = 2.0, - kinetics = Arrhenius( - A = (360000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (55.187, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(360000,'cm^3/(mol*s)'), n=2.41, Ea=(55.187,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CbHH """, ) @@ -46958,18 +31430,11 @@ index = 2353, label = "C8H9 + C4H6-5 <=> C12H15-70", degeneracy = 2.0, - kinetics = Arrhenius( - A = (88400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88400,'cm^3/(mol*s)'), n=2.41, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CbCsH """, ) @@ -46978,18 +31443,11 @@ index = 2354, label = "C9H11-15 + C4H6-5 <=> C13H17-65", degeneracy = 2.0, - kinetics = Arrhenius( - A = (14140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.0406, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14140,'cm^3/(mol*s)'), n=2.41, Ea=(50.0406,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CbCsCs """, ) @@ -46998,18 +31456,11 @@ index = 2355, label = "C3H3 + C4H6-5 <=> C7H9-56", degeneracy = 2.0, - kinetics = Arrhenius( - A = (332000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.1828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(332000,'cm^3/(mol*s)'), n=2.41, Ea=(54.1828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CtHH """, ) @@ -47018,18 +31469,11 @@ index = 2356, label = "C4H5-12 + C4H6-5 <=> C8H11-51", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.2163, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75000,'cm^3/(mol*s)'), n=2.41, Ea=(52.2163,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CtCsH """, ) @@ -47038,18 +31482,11 @@ index = 2357, label = "C5H7-5 + C4H6-5 <=> C9H13-67", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19120, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3712, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19120,'cm^3/(mol*s)'), n=2.41, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CsJ-CtCsCs """, ) @@ -47058,18 +31495,11 @@ index = 2358, label = "C2H3 + C4H6-5 <=> C6H9-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (502000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(502000,'cm^3/(mol*s)'), n=2.41, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CdsJ-H """, ) @@ -47078,18 +31508,11 @@ index = 2359, label = "C3H5 + C4H6-5 <=> C7H11-49", degeneracy = 2.0, - kinetics = Arrhenius( - A = (266000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(266000,'cm^3/(mol*s)'), n=2.41, Ea=(21.715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CdsJ-Cs """, ) @@ -47098,18 +31521,11 @@ index = 2360, label = "C6H5 + C4H6-5 <=> C10H11-54", degeneracy = 2.0, - kinetics = Arrhenius( - A = (794000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (12.6357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(794000,'cm^3/(mol*s)'), n=2.41, Ea=(12.6357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;CbJ """, ) @@ -47118,18 +31534,11 @@ index = 2361, label = "CH3 + C5H6-8 <=> C6H9-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (25.0203, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44900,'cm^3/(mol*s)'), n=2.41, Ea=(25.0203,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-HHH """, ) @@ -47138,18 +31547,11 @@ index = 2362, label = "C5H6-8 + C2H5 <=> C7H11-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4560, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6354, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4560,'cm^3/(mol*s)'), n=2.41, Ea=(22.6354,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CsHH """, ) @@ -47158,18 +31560,11 @@ index = 2363, label = "C5H6-8 + C3H7-2 <=> C8H13-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3660, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.6565, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3660,'cm^3/(mol*s)'), n=2.41, Ea=(17.6565,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CsCsH """, ) @@ -47178,18 +31573,11 @@ index = 2364, label = "C5H6-8 + C4H9 <=> C9H15-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2710,'cm^3/(mol*s)'), n=2.41, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CsCsCs """, ) @@ -47198,18 +31586,11 @@ index = 2365, label = "allyl + C5H6-8 <=> C8H11-52", degeneracy = 2.0, - kinetics = Arrhenius( - A = (94800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.3377, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(94800,'cm^3/(mol*s)'), n=2.41, Ea=(51.3377,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdHH """, ) @@ -47218,18 +31599,11 @@ index = 2366, label = "C4H7-2 + C5H6-8 <=> C9H13-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8260, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.3335, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8260,'cm^3/(mol*s)'), n=2.41, Ea=(50.3335,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCsH """, ) @@ -47238,18 +31612,11 @@ index = 2367, label = "C5H6-8 + C5H9 <=> C10H15-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1070,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCsCs """, ) @@ -47258,18 +31625,11 @@ index = 2368, label = "C5H7-3 + C5H6-8 <=> C10H13-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (70.3749, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16700,'cm^3/(mol*s)'), n=2.41, Ea=(70.3749,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCdH """, ) @@ -47278,18 +31638,11 @@ index = 2369, label = "C6H9-12 + C5H6-8 <=> C11H15-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.6218, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5680,'cm^3/(mol*s)'), n=2.41, Ea=(69.6218,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CdCdCs """, ) @@ -47298,18 +31651,11 @@ index = 2370, label = "C5H6-8 + C7H7-3 <=> C12H13-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.6308, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22000,'cm^3/(mol*s)'), n=2.41, Ea=(41.6308,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CbHH """, ) @@ -47318,18 +31664,11 @@ index = 2371, label = "C5H6-8 + C8H9 <=> C13H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5410, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5410,'cm^3/(mol*s)'), n=2.41, Ea=(38.702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CbCsH """, ) @@ -47338,18 +31677,11 @@ index = 2372, label = "C5H6-8 + C9H11-15 <=> C14H17-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (865, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.4426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(865,'cm^3/(mol*s)'), n=2.41, Ea=(36.4426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CbCsCs """, ) @@ -47358,18 +31690,11 @@ index = 2373, label = "C3H3 + C5H6-8 <=> C8H9-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.5848, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20300,'cm^3/(mol*s)'), n=2.41, Ea=(40.5848,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CtHH """, ) @@ -47378,18 +31703,11 @@ index = 2374, label = "C4H5-12 + C5H6-8 <=> C9H11-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4580, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4580,'cm^3/(mol*s)'), n=2.41, Ea=(38.6602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CtCsH """, ) @@ -47398,18 +31716,11 @@ index = 2375, label = "C5H7-5 + C5H6-8 <=> C10H13-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1170, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1170,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CsJ-CtCsCs """, ) @@ -47418,18 +31729,11 @@ index = 2376, label = "C2H3 + C5H6-8 <=> C7H9-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (30700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.9956, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(30700,'cm^3/(mol*s)'), n=2.41, Ea=(8.9956,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CdsJ-H """, ) @@ -47438,18 +31742,11 @@ index = 2377, label = "C3H5 + C5H6-8 <=> C8H11-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.11696, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16300,'cm^3/(mol*s)'), n=2.41, Ea=(8.11696,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CdsJ-Cs """, ) @@ -47458,18 +31755,11 @@ index = 2378, label = "C5H6-8 + C6H5 <=> C11H11-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-0.96232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48600,'cm^3/(mol*s)'), n=2.41, Ea=(-0.96232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;CbJ """, ) @@ -47478,18 +31768,11 @@ index = 2379, label = "C5H4-2 + CH3 <=> C6H7-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (597000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.6773, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(597000,'cm^3/(mol*s)'), n=2.41, Ea=(22.6773,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-HHH """, ) @@ -47498,18 +31781,11 @@ index = 2380, label = "C5H4-2 + C2H5 <=> C7H9-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (60600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(60600,'cm^3/(mol*s)'), n=2.41, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CsHH """, ) @@ -47518,18 +31794,11 @@ index = 2381, label = "C5H4-2 + C3H7-2 <=> C8H11-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.2716, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48600,'cm^3/(mol*s)'), n=2.41, Ea=(15.2716,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CsCsH """, ) @@ -47538,18 +31807,11 @@ index = 2382, label = "C5H4-2 + C4H9 <=> C9H13-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.37216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36000,'cm^3/(mol*s)'), n=2.41, Ea=(9.37216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CsCsCs """, ) @@ -47558,18 +31820,11 @@ index = 2383, label = "C5H4-2 + allyl <=> C8H9-21", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.26e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.9946, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.26e+06,'cm^3/(mol*s)'), n=2.41, Ea=(48.9946,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdHH """, ) @@ -47578,18 +31833,11 @@ index = 2384, label = "C5H4-2 + C4H7-2 <=> C9H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (110000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.9905, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(110000,'cm^3/(mol*s)'), n=2.41, Ea=(47.9905,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCsH """, ) @@ -47598,18 +31846,11 @@ index = 2385, label = "C5H4-2 + C5H9 <=> C10H13-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.8902, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14200,'cm^3/(mol*s)'), n=2.41, Ea=(43.8902,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCsCs """, ) @@ -47618,18 +31859,11 @@ index = 2386, label = "C5H4-2 + C5H7-3 <=> C10H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (221000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.99, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(221000,'cm^3/(mol*s)'), n=2.41, Ea=(67.99,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCdH """, ) @@ -47638,18 +31872,11 @@ index = 2387, label = "C5H4-2 + C6H9-12 <=> C11H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (75500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.2369, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75500,'cm^3/(mol*s)'), n=2.41, Ea=(67.2369,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CdCdCs """, ) @@ -47658,18 +31885,11 @@ index = 2388, label = "C5H4-2 + C7H7-3 <=> C12H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (292000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.2459, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(292000,'cm^3/(mol*s)'), n=2.41, Ea=(39.2459,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CbHH """, ) @@ -47678,18 +31898,11 @@ index = 2389, label = "C5H4-2 + C8H9 <=> C13H13-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (71800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.359, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(71800,'cm^3/(mol*s)'), n=2.41, Ea=(36.359,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CbCsH """, ) @@ -47698,18 +31911,11 @@ index = 2390, label = "C5H4-2 + C9H11-15 <=> C14H15-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.0996, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11500,'cm^3/(mol*s)'), n=2.41, Ea=(34.0996,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CbCsCs """, ) @@ -47718,18 +31924,11 @@ index = 2391, label = "C5H4-2 + C3H3 <=> C8H7-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (270000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.2418, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(270000,'cm^3/(mol*s)'), n=2.41, Ea=(38.2418,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CtHH """, ) @@ -47738,18 +31937,11 @@ index = 2392, label = "C5H4-2 + C4H5-12 <=> C9H9-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (60800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2753, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(60800,'cm^3/(mol*s)'), n=2.41, Ea=(36.2753,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CtCsH """, ) @@ -47758,18 +31950,11 @@ index = 2393, label = "C5H7-5 + C5H4-2 <=> C10H11-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15500, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.4302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15500,'cm^3/(mol*s)'), n=2.41, Ea=(33.4302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CsJ-CtCsCs """, ) @@ -47778,18 +31963,11 @@ index = 2394, label = "C5H4-2 + C2H3 <=> C7H7-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (408000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.65256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(408000,'cm^3/(mol*s)'), n=2.41, Ea=(6.65256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CdsJ-H """, ) @@ -47798,18 +31976,11 @@ index = 2395, label = "C5H4-2 + C3H5 <=> C8H9-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (216000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(216000,'cm^3/(mol*s)'), n=2.41, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CdsJ-Cs """, ) @@ -47818,18 +31989,11 @@ index = 2396, label = "C5H4-2 + C6H5 <=> C11H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (645000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-3.3472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(645000,'cm^3/(mol*s)'), n=2.41, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;CbJ """, ) @@ -47838,18 +32002,11 @@ index = 2397, label = "C4H4-2 + CH3 <=> C5H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.1079, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36900,'cm^3/(mol*s)'), n=2.41, Ea=(36.1079,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-HHH """, ) @@ -47858,18 +32015,11 @@ index = 2398, label = "C4H4-2 + C2H5 <=> C6H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3750, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.723, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3750,'cm^3/(mol*s)'), n=2.41, Ea=(33.723,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CsHH """, ) @@ -47878,18 +32028,11 @@ index = 2399, label = "C4H4-2 + C3H7-2 <=> C7H11-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (28.7441, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3010,'cm^3/(mol*s)'), n=2.41, Ea=(28.7441,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CsCsH """, ) @@ -47898,18 +32041,11 @@ index = 2400, label = "C4H4-2 + C4H9 <=> C8H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (22.8446, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2230,'cm^3/(mol*s)'), n=2.41, Ea=(22.8446,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CsCsCs """, ) @@ -47918,18 +32054,11 @@ index = 2401, label = "C4H4-2 + allyl <=> C7H9-59", degeneracy = 2.0, - kinetics = Arrhenius( - A = (78000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.4253, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(78000,'cm^3/(mol*s)'), n=2.41, Ea=(62.4253,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdHH """, ) @@ -47938,18 +32067,11 @@ index = 2402, label = "C4H4-2 + C4H7-2 <=> C8H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.4211, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6790,'cm^3/(mol*s)'), n=2.41, Ea=(61.4211,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCsH """, ) @@ -47958,18 +32080,11 @@ index = 2403, label = "C4H4-2 + C5H9 <=> C9H13-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (878, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.3626, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(878,'cm^3/(mol*s)'), n=2.41, Ea=(57.3626,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCsCs """, ) @@ -47978,18 +32093,11 @@ index = 2404, label = "C4H4-2 + C5H7-3 <=> C9H11-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.4625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13700,'cm^3/(mol*s)'), n=2.41, Ea=(81.4625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCdH """, ) @@ -47998,18 +32106,11 @@ index = 2405, label = "C4H4-2 + C6H9-12 <=> C10H13-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4670, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.7094, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4670,'cm^3/(mol*s)'), n=2.41, Ea=(80.7094,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CdCdCs """, ) @@ -48018,18 +32119,11 @@ index = 2406, label = "C4H4-2 + C7H7-3 <=> C11H11-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.7184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18100,'cm^3/(mol*s)'), n=2.41, Ea=(52.7184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CbHH """, ) @@ -48038,18 +32132,11 @@ index = 2407, label = "C4H4-2 + C8H9 <=> C12H13-45", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4440,'cm^3/(mol*s)'), n=2.41, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CbCsH """, ) @@ -48058,18 +32145,11 @@ index = 2408, label = "C4H4-2 + C9H11-15 <=> C13H15-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (711, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.5302, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(711,'cm^3/(mol*s)'), n=2.41, Ea=(47.5302,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CbCsCs """, ) @@ -48078,18 +32158,11 @@ index = 2409, label = "C3H3 + C4H4-2 <=> C7H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.6724, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16700,'cm^3/(mol*s)'), n=2.41, Ea=(51.6724,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CtHH """, ) @@ -48098,18 +32171,11 @@ index = 2410, label = "C4H5-12 + C4H4-2 <=> C8H9-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3770, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.7478, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3770,'cm^3/(mol*s)'), n=2.41, Ea=(49.7478,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CtCsH """, ) @@ -48118,18 +32184,11 @@ index = 2411, label = "C5H7-5 + C4H4-2 <=> C9H11-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (961, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.9026, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(961,'cm^3/(mol*s)'), n=2.41, Ea=(46.9026,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CsJ-CtCsCs """, ) @@ -48138,18 +32197,11 @@ index = 2412, label = "C4H4-2 + C2H3 <=> C6H7-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (25300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.125, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(25300,'cm^3/(mol*s)'), n=2.41, Ea=(20.125,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CdsJ-H """, ) @@ -48158,18 +32210,11 @@ index = 2413, label = "C4H4-2 + C3H5 <=> C7H9-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.2046, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13400,'cm^3/(mol*s)'), n=2.41, Ea=(19.2046,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CdsJ-Cs """, ) @@ -48178,18 +32223,11 @@ index = 2414, label = "C4H4-2 + C6H5 <=> C10H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (39900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.1253, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(39900,'cm^3/(mol*s)'), n=2.41, Ea=(10.1253,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;CbJ """, ) @@ -48198,18 +32236,11 @@ index = 2415, label = "CH3 + C5H6-9 <=> C6H9-36", degeneracy = 1.0, - kinetics = Arrhenius( - A = (98100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.907, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(98100,'cm^3/(mol*s)'), n=2.41, Ea=(37.907,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-HHH """, ) @@ -48218,18 +32249,11 @@ index = 2416, label = "C5H6-9 + C2H5 <=> C7H11-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9960, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9960,'cm^3/(mol*s)'), n=2.41, Ea=(35.564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CsHH """, ) @@ -48238,18 +32262,11 @@ index = 2417, label = "C5H6-9 + C3H7-2 <=> C8H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7990, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (30.5432, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7990,'cm^3/(mol*s)'), n=2.41, Ea=(30.5432,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CsCsH """, ) @@ -48258,18 +32275,11 @@ index = 2418, label = "C5H6-9 + C4H9 <=> C9H15-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5920, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.6438, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5920,'cm^3/(mol*s)'), n=2.41, Ea=(24.6438,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CsCsCs """, ) @@ -48278,18 +32288,11 @@ index = 2419, label = "allyl + C5H6-9 <=> C8H11-56", degeneracy = 2.0, - kinetics = Arrhenius( - A = (206000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (64.2244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(206000,'cm^3/(mol*s)'), n=2.41, Ea=(64.2244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdHH """, ) @@ -48298,18 +32301,11 @@ index = 2420, label = "C4H7-2 + C5H6-9 <=> C9H13-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (18000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (63.2202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(18000,'cm^3/(mol*s)'), n=2.41, Ea=(63.2202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCsH """, ) @@ -48318,18 +32314,11 @@ index = 2421, label = "C5H9 + C5H6-9 <=> C10H15-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (59.1618, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=2.41, Ea=(59.1618,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCsCs """, ) @@ -48338,18 +32327,11 @@ index = 2422, label = "C5H6-9 + C5H7-3 <=> C10H13-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (83.2616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36300,'cm^3/(mol*s)'), n=2.41, Ea=(83.2616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCdH """, ) @@ -48358,18 +32340,11 @@ index = 2423, label = "C5H6-9 + C6H9-12 <=> C11H15-76", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (82.5085, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12400,'cm^3/(mol*s)'), n=2.41, Ea=(82.5085,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CdCdCs """, ) @@ -48378,18 +32353,11 @@ index = 2424, label = "C5H6-9 + C7H7-3 <=> C12H13-46", degeneracy = 1.0, - kinetics = Arrhenius( - A = (48000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (54.5175, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(48000,'cm^3/(mol*s)'), n=2.41, Ea=(54.5175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CbHH """, ) @@ -48398,18 +32366,11 @@ index = 2425, label = "C5H6-9 + C8H9 <=> C13H15-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.5887, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11800,'cm^3/(mol*s)'), n=2.41, Ea=(51.5887,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CbCsH """, ) @@ -48418,18 +32379,11 @@ index = 2426, label = "C5H6-9 + C9H11-15 <=> C14H17-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1890, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1890,'cm^3/(mol*s)'), n=2.41, Ea=(49.3294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CbCsCs """, ) @@ -48438,18 +32392,11 @@ index = 2427, label = "C3H3 + C5H6-9 <=> C8H9-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (44400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.4715, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(44400,'cm^3/(mol*s)'), n=2.41, Ea=(53.4715,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CtHH """, ) @@ -48458,18 +32405,11 @@ index = 2428, label = "C4H5-12 + C5H6-9 <=> C9H11-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.5469, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10000,'cm^3/(mol*s)'), n=2.41, Ea=(51.5469,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CtCsH """, ) @@ -48478,18 +32418,11 @@ index = 2429, label = "C5H7-5 + C5H6-9 <=> C10H13-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.7018, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.41, Ea=(48.7018,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CsJ-CtCsCs """, ) @@ -48498,18 +32431,11 @@ index = 2430, label = "C2H3 + C5H6-9 <=> C7H9-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (67100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.9242, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(67100,'cm^3/(mol*s)'), n=2.41, Ea=(21.9242,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CdsJ-H """, ) @@ -48518,18 +32444,11 @@ index = 2431, label = "C3H5 + C5H6-9 <=> C8H11-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (35600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.0037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35600,'cm^3/(mol*s)'), n=2.41, Ea=(21.0037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CdsJ-Cs """, ) @@ -48538,18 +32457,11 @@ index = 2432, label = "C5H6-9 + C6H5 <=> C11H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (106000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.9244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(106000,'cm^3/(mol*s)'), n=2.41, Ea=(11.9244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;CbJ """, ) @@ -48558,18 +32470,11 @@ index = 2433, label = "CH3 + C6H6-9 <=> C7H9-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (24.3509, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24000,'cm^3/(mol*s)'), n=2.41, Ea=(24.3509,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-HHH """, ) @@ -48578,18 +32483,11 @@ index = 2434, label = "C6H6-9 + C2H5 <=> C8H11-58", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(21.966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CsHH """, ) @@ -48598,18 +32496,11 @@ index = 2435, label = "C6H6-9 + C3H7-2 <=> C9H13-72", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1954, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (16.9452, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1954,'cm^3/(mol*s)'), n=2.41, Ea=(16.9452,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CsCsH """, ) @@ -48618,18 +32509,11 @@ index = 2436, label = "C6H6-9 + C4H9 <=> C10H15-68", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1448, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (11.0458, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1448,'cm^3/(mol*s)'), n=2.41, Ea=(11.0458,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CsCsCs """, ) @@ -48638,18 +32522,11 @@ index = 2437, label = "allyl + C6H6-9 <=> C9H11-59", degeneracy = 4.0, - kinetics = Arrhenius( - A = (50800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.6682, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50800,'cm^3/(mol*s)'), n=2.41, Ea=(50.6682,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdHH """, ) @@ -48658,18 +32535,11 @@ index = 2438, label = "C6H6-9 + C4H7-2 <=> C10H13-72", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.6641, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4400,'cm^3/(mol*s)'), n=2.41, Ea=(49.6641,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCsH """, ) @@ -48678,18 +32548,11 @@ index = 2439, label = "C6H6-9 + C5H9 <=> C11H15-77", degeneracy = 2.0, - kinetics = Arrhenius( - A = (570, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.5638, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(570,'cm^3/(mol*s)'), n=2.41, Ea=(45.5638,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCsCs """, ) @@ -48698,18 +32561,11 @@ index = 2440, label = "C6H6-9 + C5H7-3 <=> C11H13-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (69.6636, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8900,'cm^3/(mol*s)'), n=2.41, Ea=(69.6636,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCdH """, ) @@ -48718,18 +32574,11 @@ index = 2441, label = "C6H6-9 + C6H9-12 <=> C12H15-71", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3040, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.9105, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3040,'cm^3/(mol*s)'), n=2.41, Ea=(68.9105,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CdCdCs """, ) @@ -48738,18 +32587,11 @@ index = 2442, label = "C6H6-9 + C7H7-3 <=> C13H13-24", degeneracy = 2.0, - kinetics = Arrhenius( - A = (11740, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (40.9195, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11740,'cm^3/(mol*s)'), n=2.41, Ea=(40.9195,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CbHH """, ) @@ -48758,18 +32600,11 @@ index = 2443, label = "C6H6-9 + C8H9 <=> C14H15-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2880, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.0326, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2880,'cm^3/(mol*s)'), n=2.41, Ea=(38.0326,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CbCsH """, ) @@ -48778,18 +32613,11 @@ index = 2444, label = "C6H6-9 + C9H11-15 <=> C15H17-44", degeneracy = 2.0, - kinetics = Arrhenius( - A = (462, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.7732, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(462,'cm^3/(mol*s)'), n=2.41, Ea=(35.7732,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CbCsCs """, ) @@ -48798,18 +32626,11 @@ index = 2445, label = "C3H3 + C6H6-9 <=> C9H9-32", degeneracy = 2.0, - kinetics = Arrhenius( - A = (10860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.9154, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(10860,'cm^3/(mol*s)'), n=2.41, Ea=(39.9154,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CtHH """, ) @@ -48818,18 +32639,11 @@ index = 2446, label = "C4H5-12 + C6H6-9 <=> C10H11-57", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2440, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.9489, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2440,'cm^3/(mol*s)'), n=2.41, Ea=(37.9489,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CtCsH """, ) @@ -48838,18 +32652,11 @@ index = 2447, label = "C5H7-5 + C6H6-9 <=> C11H13-58", degeneracy = 2.0, - kinetics = Arrhenius( - A = (624, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.1038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(624,'cm^3/(mol*s)'), n=2.41, Ea=(35.1038,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CsJ-CtCsCs """, ) @@ -48858,18 +32665,11 @@ index = 2448, label = "C2H3 + C6H6-9 <=> C8H9-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16420, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.32616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16420,'cm^3/(mol*s)'), n=2.41, Ea=(8.32616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CdsJ-H """, ) @@ -48878,18 +32678,11 @@ index = 2449, label = "C3H5 + C6H6-9 <=> C9H11-60", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.44752, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8700,'cm^3/(mol*s)'), n=2.41, Ea=(7.44752,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CdsJ-Cs """, ) @@ -48898,18 +32691,11 @@ index = 2450, label = "C6H6-9 + C6H5 <=> C12H11-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-1.6736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26000,'cm^3/(mol*s)'), n=2.41, Ea=(-1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;CbJ """, ) @@ -48918,18 +32704,11 @@ index = 2451, label = "C6H4-2 + CH3 <=> C7H7-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (159000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.966, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(159000,'cm^3/(mol*s)'), n=2.41, Ea=(21.966,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-HHH """, ) @@ -48938,18 +32717,11 @@ index = 2452, label = "C6H4-2 + C2H5 <=> C8H9-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.5811, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(19.5811,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CsHH """, ) @@ -48958,18 +32730,11 @@ index = 2453, label = "C6H4-2 + C3H7-2 <=> C9H11-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (14.6022, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13000,'cm^3/(mol*s)'), n=2.41, Ea=(14.6022,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CsCsH """, ) @@ -48978,18 +32743,11 @@ index = 2454, label = "C6H4-2 + C4H9 <=> C10H13-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9610, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9610,'cm^3/(mol*s)'), n=2.41, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CsCsCs """, ) @@ -48998,18 +32756,11 @@ index = 2455, label = "C6H4-2 + allyl <=> C9H9-33", degeneracy = 2.0, - kinetics = Arrhenius( - A = (336000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.2834, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(336000,'cm^3/(mol*s)'), n=2.41, Ea=(48.2834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdHH """, ) @@ -49018,18 +32769,11 @@ index = 2456, label = "C6H4-2 + C4H7-2 <=> C10H11-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (29300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.2792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(29300,'cm^3/(mol*s)'), n=2.41, Ea=(47.2792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCsH """, ) @@ -49038,18 +32782,11 @@ index = 2457, label = "C6H4-2 + C5H9 <=> C11H13-59", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (43.2207, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3790,'cm^3/(mol*s)'), n=2.41, Ea=(43.2207,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCsCs """, ) @@ -49058,18 +32795,11 @@ index = 2458, label = "C6H4-2 + C5H7-3 <=> C11H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (59000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.3206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(59000,'cm^3/(mol*s)'), n=2.41, Ea=(67.3206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCdH """, ) @@ -49078,18 +32808,11 @@ index = 2459, label = "C6H4-2 + C6H9-12 <=> C12H13-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.5674, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20200,'cm^3/(mol*s)'), n=2.41, Ea=(66.5674,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CdCdCs """, ) @@ -49098,18 +32821,11 @@ index = 2460, label = "C6H4-2 + C7H7-3 <=> C13H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (77900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.5765, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(77900,'cm^3/(mol*s)'), n=2.41, Ea=(38.5765,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CbHH """, ) @@ -49118,18 +32834,11 @@ index = 2461, label = "C6H4-2 + C8H9 <=> C14H13-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (19200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6477, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(19200,'cm^3/(mol*s)'), n=2.41, Ea=(35.6477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CbCsH """, ) @@ -49138,18 +32847,11 @@ index = 2462, label = "C6H4-2 + C9H11-15 <=> C15H15-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.3883, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3070,'cm^3/(mol*s)'), n=2.41, Ea=(33.3883,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CbCsCs """, ) @@ -49158,18 +32860,11 @@ index = 2463, label = "C6H4-2 + C3H3 <=> C9H7-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (72000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.5305, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72000,'cm^3/(mol*s)'), n=2.41, Ea=(37.5305,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CtHH """, ) @@ -49178,18 +32873,11 @@ index = 2464, label = "C6H4-2 + C4H5-12 <=> C10H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (35.6058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16200,'cm^3/(mol*s)'), n=2.41, Ea=(35.6058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CtCsH """, ) @@ -49198,18 +32886,11 @@ index = 2465, label = "C6H4-2 + C5H7-5 <=> C11H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4140, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.7189, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4140,'cm^3/(mol*s)'), n=2.41, Ea=(32.7189,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CsJ-CtCsCs """, ) @@ -49218,18 +32899,11 @@ index = 2466, label = "C6H4-2 + C2H3 <=> C8H7-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (109000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.94128, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(109000,'cm^3/(mol*s)'), n=2.41, Ea=(5.94128,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CdsJ-H """, ) @@ -49238,18 +32912,11 @@ index = 2467, label = "C6H4-2 + C3H5 <=> C9H9-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (57800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (5.06264, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(57800,'cm^3/(mol*s)'), n=2.41, Ea=(5.06264,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CdsJ-Cs """, ) @@ -49258,18 +32925,11 @@ index = 2468, label = "C6H4-2 + C6H5 <=> C12H9-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (172000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-4.01664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(172000,'cm^3/(mol*s)'), n=2.41, Ea=(-4.01664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;CbJ """, ) @@ -49278,18 +32938,11 @@ index = 2469, label = "C4H2-2 + CH3 <=> C5H5-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (204000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.8527, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(204000,'cm^3/(mol*s)'), n=2.41, Ea=(34.8527,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-HHH """, ) @@ -49298,18 +32951,11 @@ index = 2470, label = "C4H2-2 + C2H5 <=> C6H7-18", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.4678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(32.4678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CsHH """, ) @@ -49318,18 +32964,11 @@ index = 2471, label = "C4H2-2 + C3H7-2 <=> C7H9-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (16680, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (27.4889, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16680,'cm^3/(mol*s)'), n=2.41, Ea=(27.4889,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CsCsH """, ) @@ -49338,18 +32977,11 @@ index = 2472, label = "C4H2-2 + C4H9 <=> C8H11-59", degeneracy = 2.0, - kinetics = Arrhenius( - A = (12360, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (21.5476, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12360,'cm^3/(mol*s)'), n=2.41, Ea=(21.5476,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CsCsCs """, ) @@ -49358,18 +32990,11 @@ index = 2473, label = "C4H2-2 + allyl <=> C7H7-16", degeneracy = 4.0, - kinetics = Arrhenius( - A = (432000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.1701, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(432000,'cm^3/(mol*s)'), n=2.41, Ea=(61.1701,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdHH """, ) @@ -49378,18 +33003,11 @@ index = 2474, label = "C4H2-2 + C4H7-2 <=> C8H9-27", degeneracy = 2.0, - kinetics = Arrhenius( - A = (37600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (60.1659, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(37600,'cm^3/(mol*s)'), n=2.41, Ea=(60.1659,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCsH """, ) @@ -49398,18 +33016,11 @@ index = 2475, label = "C4H2-2 + C5H9 <=> C9H11-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4860, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (56.1074, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4860,'cm^3/(mol*s)'), n=2.41, Ea=(56.1074,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCsCs """, ) @@ -49418,18 +33029,11 @@ index = 2476, label = "C4H2-2 + C5H7-3 <=> C9H9-35", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (80.1654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(75800,'cm^3/(mol*s)'), n=2.41, Ea=(80.1654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCdH """, ) @@ -49438,18 +33042,11 @@ index = 2477, label = "C4H2-2 + C6H9-12 <=> C10H11-59", degeneracy = 2.0, - kinetics = Arrhenius( - A = (26000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (79.4123, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(26000,'cm^3/(mol*s)'), n=2.41, Ea=(79.4123,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CdCdCs """, ) @@ -49458,18 +33055,11 @@ index = 2478, label = "C4H2-2 + C7H7-3 <=> C11H9-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (100200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (51.4214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(100200,'cm^3/(mol*s)'), n=2.41, Ea=(51.4214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CbHH """, ) @@ -49478,18 +33068,11 @@ index = 2479, label = "C4H2-2 + C8H9 <=> C12H11-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (24600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.5344, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(24600,'cm^3/(mol*s)'), n=2.41, Ea=(48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CbCsH """, ) @@ -49498,18 +33081,11 @@ index = 2480, label = "C4H2-2 + C9H11-15 <=> C13H13-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3940, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.275, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3940,'cm^3/(mol*s)'), n=2.41, Ea=(46.275,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CbCsCs """, ) @@ -49518,18 +33094,11 @@ index = 2481, label = "C3H3 + C4H2-2 <=> C7H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (92600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.4172, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(92600,'cm^3/(mol*s)'), n=2.41, Ea=(50.4172,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CtHH """, ) @@ -49538,18 +33107,11 @@ index = 2482, label = "C4H5-12 + C4H2-2 <=> C8H7-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.4507, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(20800,'cm^3/(mol*s)'), n=2.41, Ea=(48.4507,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CtCsH """, ) @@ -49558,18 +33120,11 @@ index = 2483, label = "C5H7-5 + C4H2-2 <=> C9H9-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5320, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (45.6056, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5320,'cm^3/(mol*s)'), n=2.41, Ea=(45.6056,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CsJ-CtCsCs """, ) @@ -49578,18 +33133,11 @@ index = 2484, label = "C4H2-2 + C2H3 <=> C6H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (140000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(140000,'cm^3/(mol*s)'), n=2.41, Ea=(18.828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CdsJ-H """, ) @@ -49598,18 +33146,11 @@ index = 2485, label = "C4H2-2 + C3H5 <=> C7H7-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (74200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (17.9494, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(74200,'cm^3/(mol*s)'), n=2.41, Ea=(17.9494,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CdsJ-Cs """, ) @@ -49618,18 +33159,11 @@ index = 2486, label = "C4H2-2 + C6H5 <=> C10H7-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (222000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (8.87008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(222000,'cm^3/(mol*s)'), n=2.41, Ea=(8.87008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;CbJ """, ) @@ -49638,18 +33172,11 @@ index = 2487, label = "C5H4-3 + CH3 <=> C6H7-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (272000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6518, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(272000,'cm^3/(mol*s)'), n=2.41, Ea=(36.6518,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-HHH """, ) @@ -49658,18 +33185,11 @@ index = 2488, label = "C5H4-3 + C2H5 <=> C7H9-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.267, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27600,'cm^3/(mol*s)'), n=2.41, Ea=(34.267,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CsHH """, ) @@ -49678,18 +33198,11 @@ index = 2489, label = "C5H4-3 + C3H7-2 <=> C8H11-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (29.288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22100,'cm^3/(mol*s)'), n=2.41, Ea=(29.288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CsCsH """, ) @@ -49698,18 +33211,11 @@ index = 2490, label = "C5H4-3 + C4H9 <=> C9H13-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.3467, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16400,'cm^3/(mol*s)'), n=2.41, Ea=(23.3467,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CsCsCs """, ) @@ -49718,18 +33224,11 @@ index = 2491, label = "C5H4-3 + allyl <=> C8H9-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (574000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (62.9692, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(574000,'cm^3/(mol*s)'), n=2.41, Ea=(62.9692,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdHH """, ) @@ -49738,18 +33237,11 @@ index = 2492, label = "C5H4-3 + C4H7-2 <=> C9H11-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (50000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (61.965, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50000,'cm^3/(mol*s)'), n=2.41, Ea=(61.965,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCsH """, ) @@ -49758,18 +33250,11 @@ index = 2493, label = "C5H4-3 + C5H9 <=> C10H13-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6460, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (57.9066, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6460,'cm^3/(mol*s)'), n=2.41, Ea=(57.9066,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCsCs """, ) @@ -49778,18 +33263,11 @@ index = 2494, label = "C5H4-3 + C5H7-3 <=> C10H11-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (101000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.9646, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(101000,'cm^3/(mol*s)'), n=2.41, Ea=(81.9646,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCdH """, ) @@ -49798,18 +33276,11 @@ index = 2495, label = "C5H4-3 + C6H9-12 <=> C11H13-60", degeneracy = 1.0, - kinetics = Arrhenius( - A = (34400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (81.2114, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(34400,'cm^3/(mol*s)'), n=2.41, Ea=(81.2114,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CdCdCs """, ) @@ -49818,18 +33289,11 @@ index = 2496, label = "C5H4-3 + C7H7-3 <=> C12H11-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (133000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (53.2205, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(133000,'cm^3/(mol*s)'), n=2.41, Ea=(53.2205,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CbHH """, ) @@ -49838,18 +33302,11 @@ index = 2497, label = "C5H4-3 + C8H9 <=> C13H13-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.3335, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32700,'cm^3/(mol*s)'), n=2.41, Ea=(50.3335,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CbCsH """, ) @@ -49858,18 +33315,11 @@ index = 2498, label = "C5H4-3 + C9H11-15 <=> C14H15-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5230, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.0742, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5230,'cm^3/(mol*s)'), n=2.41, Ea=(48.0742,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CbCsCs """, ) @@ -49878,18 +33328,11 @@ index = 2499, label = "C3H3 + C5H4-3 <=> C8H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (123000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (52.2163, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(123000,'cm^3/(mol*s)'), n=2.41, Ea=(52.2163,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CtHH """, ) @@ -49898,18 +33341,11 @@ index = 2500, label = "C4H5-12 + C5H4-3 <=> C9H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (27700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (50.2498, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(27700,'cm^3/(mol*s)'), n=2.41, Ea=(50.2498,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CtCsH """, ) @@ -49918,18 +33354,11 @@ index = 2501, label = "C5H7-5 + C5H4-3 <=> C10H11-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7070, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.4047, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7070,'cm^3/(mol*s)'), n=2.41, Ea=(47.4047,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CsJ-CtCsCs """, ) @@ -49938,18 +33367,11 @@ index = 2502, label = "C5H4-3 + C2H3 <=> C7H7-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.6271, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(186000,'cm^3/(mol*s)'), n=2.41, Ea=(20.6271,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CdsJ-H """, ) @@ -49958,18 +33380,11 @@ index = 2503, label = "C5H4-3 + C3H5 <=> C8H9-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (98600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (19.7485, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(98600,'cm^3/(mol*s)'), n=2.41, Ea=(19.7485,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CdsJ-Cs """, ) @@ -49978,18 +33393,11 @@ index = 2504, label = "C5H4-3 + C6H5 <=> C11H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (294000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (10.6692, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(294000,'cm^3/(mol*s)'), n=2.41, Ea=(10.6692,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;CbJ """, ) @@ -49998,18 +33406,11 @@ index = 2505, label = "C6H4-3 + CH3 <=> C7H7-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (33300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (23.0538, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(33300,'cm^3/(mol*s)'), n=2.41, Ea=(23.0538,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-HHH """, ) @@ -50018,18 +33419,11 @@ index = 2506, label = "C6H4-3 + C2H5 <=> C8H9-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3380, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3380,'cm^3/(mol*s)'), n=2.41, Ea=(20.669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CsHH """, ) @@ -50038,18 +33432,11 @@ index = 2507, label = "C6H4-3 + C3H7-2 <=> C9H11-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2710, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (15.69, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2710,'cm^3/(mol*s)'), n=2.41, Ea=(15.69,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CsCsH """, ) @@ -50058,18 +33445,11 @@ index = 2508, label = "C6H4-3 + C4H9 <=> C10H13-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2010, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (9.74872, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2010,'cm^3/(mol*s)'), n=2.41, Ea=(9.74872,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CsCsCs """, ) @@ -50078,18 +33458,11 @@ index = 2509, label = "C6H4-3 + allyl <=> C9H9-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (70200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (49.3712, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(70200,'cm^3/(mol*s)'), n=2.41, Ea=(49.3712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdHH """, ) @@ -50098,18 +33471,11 @@ index = 2510, label = "C6H4-3 + C4H7-2 <=> C10H11-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6110, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (48.367, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6110,'cm^3/(mol*s)'), n=2.41, Ea=(48.367,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCsH """, ) @@ -50118,18 +33484,11 @@ index = 2511, label = "C6H4-3 + C5H9 <=> C11H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (790, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (44.3086, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(790,'cm^3/(mol*s)'), n=2.41, Ea=(44.3086,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCsCs """, ) @@ -50138,18 +33497,11 @@ index = 2512, label = "C6H4-3 + C5H7-3 <=> C11H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (68.4084, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12300,'cm^3/(mol*s)'), n=2.41, Ea=(68.4084,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCdH """, ) @@ -50158,18 +33510,11 @@ index = 2513, label = "C6H4-3 + C6H9-12 <=> C12H13-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4210, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (67.6553, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4210,'cm^3/(mol*s)'), n=2.41, Ea=(67.6553,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CdCdCs """, ) @@ -50178,18 +33523,11 @@ index = 2514, label = "C6H4-3 + C7H7-3 <=> C13H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (16300, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (39.6643, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(16300,'cm^3/(mol*s)'), n=2.41, Ea=(39.6643,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CbHH """, ) @@ -50198,18 +33536,11 @@ index = 2515, label = "C6H4-3 + C8H9 <=> C14H13-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.7355, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4000,'cm^3/(mol*s)'), n=2.41, Ea=(36.7355,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CbCsH """, ) @@ -50218,18 +33549,11 @@ index = 2516, label = "C6H4-3 + C9H11-15 <=> C15H15-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (640, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(640,'cm^3/(mol*s)'), n=2.41, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CbCsCs """, ) @@ -50238,18 +33562,11 @@ index = 2517, label = "C6H4-3 + C3H3 <=> C9H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (15000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (38.6183, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(15000,'cm^3/(mol*s)'), n=2.41, Ea=(38.6183,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CtHH """, ) @@ -50258,18 +33575,11 @@ index = 2518, label = "C6H4-3 + C4H5-12 <=> C10H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3390, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.6937, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3390,'cm^3/(mol*s)'), n=2.41, Ea=(36.6937,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CtCsH """, ) @@ -50278,18 +33588,11 @@ index = 2519, label = "C5H7-5 + C6H4-3 <=> C11H11-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (865, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (33.8486, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(865,'cm^3/(mol*s)'), n=2.41, Ea=(33.8486,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CsJ-CtCsCs """, ) @@ -50298,18 +33601,11 @@ index = 2520, label = "C6H4-3 + C2H3 <=> C8H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22700, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.02912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(22700,'cm^3/(mol*s)'), n=2.41, Ea=(7.02912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CdsJ-H """, ) @@ -50318,18 +33614,11 @@ index = 2521, label = "C6H4-3 + C3H5 <=> C9H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (12100, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (6.15048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(12100,'cm^3/(mol*s)'), n=2.41, Ea=(6.15048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CdsJ-Cs """, ) @@ -50338,18 +33627,11 @@ index = 2522, label = "C6H4-3 + C6H5 <=> C12H9-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (35900, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-2.9288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(35900,'cm^3/(mol*s)'), n=2.41, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;CbJ """, ) @@ -50358,18 +33640,11 @@ index = 2523, label = "C6H2 + CH3 <=> C7H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (882000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (20.7108, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(882000,'cm^3/(mol*s)'), n=2.41, Ea=(20.7108,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-HHH """, ) @@ -50378,18 +33653,11 @@ index = 2524, label = "C6H2 + C2H5 <=> C8H7-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (89600, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (18.3259, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(89600,'cm^3/(mol*s)'), n=2.41, Ea=(18.3259,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CsHH """, ) @@ -50398,18 +33666,11 @@ index = 2525, label = "C6H2 + C3H7-2 <=> C9H9-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (72000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (13.3051, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(72000,'cm^3/(mol*s)'), n=2.41, Ea=(13.3051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CsCsH """, ) @@ -50418,18 +33679,11 @@ index = 2526, label = "C6H2 + C4H9 <=> C10H11-63", degeneracy = 2.0, - kinetics = Arrhenius( - A = (53200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (7.40568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(53200,'cm^3/(mol*s)'), n=2.41, Ea=(7.40568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CsCsCs """, ) @@ -50438,18 +33692,11 @@ index = 2527, label = "C6H2 + allyl <=> C9H7-4", degeneracy = 4.0, - kinetics = Arrhenius( - A = (1.864e+06, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (47.0282, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.864e+06,'cm^3/(mol*s)'), n=2.41, Ea=(47.0282,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdHH """, ) @@ -50458,18 +33705,11 @@ index = 2528, label = "C6H2 + C4H7-2 <=> C10H9-39", degeneracy = 2.0, - kinetics = Arrhenius( - A = (162400, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (46.024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(162400,'cm^3/(mol*s)'), n=2.41, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCsH """, ) @@ -50478,18 +33718,11 @@ index = 2529, label = "C6H2 + C5H9 <=> C11H11-28", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (41.9237, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(21000,'cm^3/(mol*s)'), n=2.41, Ea=(41.9237,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCsCs """, ) @@ -50498,18 +33731,11 @@ index = 2530, label = "C6H2 + C5H7-3 <=> C11H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (328000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (66.0235, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(328000,'cm^3/(mol*s)'), n=2.41, Ea=(66.0235,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCdH """, ) @@ -50518,18 +33744,11 @@ index = 2531, label = "C6H2 + C6H9-12 <=> C12H11-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (111800, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (65.2704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(111800,'cm^3/(mol*s)'), n=2.41, Ea=(65.2704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CdCdCs """, ) @@ -50538,18 +33757,11 @@ index = 2532, label = "C6H2 + C7H7-3 <=> C13H9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (432000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (37.2794, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(432000,'cm^3/(mol*s)'), n=2.41, Ea=(37.2794,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CbHH """, ) @@ -50558,18 +33770,11 @@ index = 2533, label = "C6H2 + C8H9 <=> C14H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (106200, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3925, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(106200,'cm^3/(mol*s)'), n=2.41, Ea=(34.3925,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CbCsH """, ) @@ -50578,18 +33783,11 @@ index = 2534, label = "C6H2 + C9H11-15 <=> C15H13-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (32.1331, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(17000,'cm^3/(mol*s)'), n=2.41, Ea=(32.1331,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CbCsCs """, ) @@ -50598,18 +33796,11 @@ index = 2535, label = "C6H2 + C3H3 <=> C9H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (400000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (36.2753, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(400000,'cm^3/(mol*s)'), n=2.41, Ea=(36.2753,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CtHH """, ) @@ -50618,18 +33809,11 @@ index = 2536, label = "C4H5-12 + C6H2 <=> C10H7-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (90000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (34.3088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(90000,'cm^3/(mol*s)'), n=2.41, Ea=(34.3088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CtCsH """, ) @@ -50638,18 +33822,11 @@ index = 2537, label = "C6H2 + C5H7-5 <=> C11H9-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (23000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (31.4637, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23000,'cm^3/(mol*s)'), n=2.41, Ea=(31.4637,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CsJ-CtCsCs """, ) @@ -50658,18 +33835,11 @@ index = 2538, label = "C6H2 + C2H3 <=> C8H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (604000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (4.68608, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(604000,'cm^3/(mol*s)'), n=2.41, Ea=(4.68608,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CdsJ-H """, ) @@ -50678,18 +33848,11 @@ index = 2539, label = "C6H2 + C3H5 <=> C9H7-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (320000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (3.80744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(320000,'cm^3/(mol*s)'), n=2.41, Ea=(3.80744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CdsJ-Cs """, ) @@ -50698,18 +33861,11 @@ index = 2540, label = "C6H2 + C6H5 <=> C12H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (954000, 'cm^3/(mol*s)'), - n = 2.41, - Ea = (-5.31368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(954000,'cm^3/(mol*s)'), n=2.41, Ea=(-5.31368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;CbJ """, ) @@ -50718,18 +33874,11 @@ index = 2541, label = "H + C2H4 <=> C2H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.62e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.22584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.62e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.22584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;HJ """, ) @@ -50738,18 +33887,11 @@ index = 2542, label = "H + propene_1 <=> C3H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.48e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (2.13384, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.48e+08,'cm^3/(mol*s)'), n=1.64, Ea=(2.13384,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;HJ """, ) @@ -50758,18 +33900,11 @@ index = 2543, label = "H + C4H8 <=> C4H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.88e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-0.04184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.88e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-0.04184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;HJ """, ) @@ -50778,18 +33913,11 @@ index = 2544, label = "H + C4H6 <=> C4H7-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.62e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-1.96648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.62e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-1.96648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;HJ """, ) @@ -50798,18 +33926,11 @@ index = 2545, label = "H + C5H8 <=> C5H9-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.58e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-3.01248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.58e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-3.01248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCs;HJ """, ) @@ -50818,18 +33939,11 @@ index = 2546, label = "H + C6H8-7 <=> C6H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.48e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.48e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCd;HJ """, ) @@ -50838,18 +33952,11 @@ index = 2547, label = "H + C4H4 <=> C4H5-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.23e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-0.8368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.23e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtH;HJ """, ) @@ -50858,18 +33965,11 @@ index = 2548, label = "H + C5H6-3 <=> C5H7-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.56e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.56e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCs;HJ """, ) @@ -50878,18 +33978,11 @@ index = 2549, label = "H + C6H6-10 <=> C6H7-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.57e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-5.39736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.57e+07,'cm^3/(mol*s)'), n=1.64, Ea=(-5.39736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdCt;HJ """, ) @@ -50898,18 +33991,11 @@ index = 2550, label = "H + C6H4-4 <=> C6H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.25e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-2.80328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.25e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-2.80328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CtCt;HJ """, ) @@ -50918,18 +34004,11 @@ index = 2551, label = "H + C8H8 <=> C8H9-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.4852, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6e+07,'cm^3/(mol*s)'), n=1.64, Ea=(6.4852,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbH;HJ """, ) @@ -50938,18 +34017,11 @@ index = 2552, label = "H + C9H10-10 <=> C9H11-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.77e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.3932, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.77e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.3932,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CbCs;HJ """, ) @@ -50958,18 +34030,11 @@ index = 2553, label = "H + C3H4-3 <=> C3H5-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.18e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.89528, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.18e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.89528,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;HJ """, ) @@ -50978,18 +34043,11 @@ index = 2554, label = "H + propene_2 <=> C3H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.78224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.78224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;HJ """, ) @@ -50998,18 +34056,11 @@ index = 2555, label = "H + butene2 <=> C4H9-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.92e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.73208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.92e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.73208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;HJ """, ) @@ -51018,18 +34069,11 @@ index = 2556, label = "H + C5H10 <=> C5H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.69e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.5564, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.69e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.5564,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;HJ """, ) @@ -51038,18 +34082,11 @@ index = 2557, label = "H + C5H8-2 <=> C5H9-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.58992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(1.58992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdH;HJ """, ) @@ -51058,18 +34095,11 @@ index = 2558, label = "H + C6H10 <=> C6H11-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.52e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.58576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.52e+08,'cm^3/(mol*s)'), n=1.64, Ea=(0.58576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCs;HJ """, ) @@ -51078,18 +34108,11 @@ index = 2559, label = "H + C7H10-3 <=> C7H11-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.46e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.46e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCd;HJ """, ) @@ -51098,18 +34121,11 @@ index = 2560, label = "H + C5H6-4 <=> C5H7-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.31e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (2.76144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.31e+08,'cm^3/(mol*s)'), n=1.64, Ea=(2.76144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CtH;HJ """, ) @@ -51118,18 +34134,11 @@ index = 2561, label = "H + C6H8-8 <=> C6H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.5e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.6736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+08,'cm^3/(mol*s)'), n=1.64, Ea=(1.6736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CtCs;HJ """, ) @@ -51138,18 +34147,11 @@ index = 2562, label = "H + C7H8-21 <=> C7H9-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.44e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-1.79912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.44e+07,'cm^3/(mol*s)'), n=1.64, Ea=(-1.79912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CdCt;HJ """, ) @@ -51158,18 +34160,11 @@ index = 2563, label = "H + C7H6-6 <=> C7H7-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.32e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.79496, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.32e+08,'cm^3/(mol*s)'), n=1.64, Ea=(0.79496,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CtCt;HJ """, ) @@ -51178,18 +34173,11 @@ index = 2564, label = "H + C9H10-7 <=> C9H11-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.52e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.0834, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.52e+07,'cm^3/(mol*s)'), n=1.64, Ea=(10.0834,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CbH;HJ """, ) @@ -51198,18 +34186,11 @@ index = 2565, label = "H + C10H12 <=> C10H13-76", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.99144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.99144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CbCs;HJ """, ) @@ -51218,18 +34199,11 @@ index = 2566, label = "H + C4H6-3 <=> C4H7-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.23e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.49352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.23e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.49352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Ca;HJ """, ) @@ -51238,18 +34212,11 @@ index = 2567, label = "H + C4H8-2 <=> C4H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.2e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.2e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;HJ """, ) @@ -51258,18 +34225,11 @@ index = 2568, label = "H + C5H10-2 <=> C5H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.72e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.07928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.72e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.07928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;HJ """, ) @@ -51278,18 +34238,11 @@ index = 2569, label = "H + C6H12 <=> C6H13-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.792e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.9036, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.792e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.9036,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;HJ """, ) @@ -51298,18 +34251,11 @@ index = 2570, label = "H + C6H10-2 <=> C6H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.17e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.93712, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.17e+07,'cm^3/(mol*s)'), n=1.64, Ea=(4.93712,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdH;HJ """, ) @@ -51318,18 +34264,11 @@ index = 2571, label = "H + C7H12 <=> C7H13-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.03e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.03e+07,'cm^3/(mol*s)'), n=1.64, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCs;HJ """, ) @@ -51338,18 +34277,11 @@ index = 2572, label = "H + C8H12 <=> C8H13-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.71e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.046, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.71e+07,'cm^3/(mol*s)'), n=1.64, Ea=(1.046,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCd;HJ """, ) @@ -51358,18 +34290,11 @@ index = 2573, label = "H + C6H8-9 <=> C6H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.92e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.10864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.92e+07,'cm^3/(mol*s)'), n=1.64, Ea=(6.10864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtH;HJ """, ) @@ -51378,18 +34303,11 @@ index = 2574, label = "H + C7H10-4 <=> C7H11-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.96e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.96e+07,'cm^3/(mol*s)'), n=1.64, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCs;HJ """, ) @@ -51398,18 +34316,11 @@ index = 2575, label = "H + C8H10-5 <=> C8H11-61", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.35e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.54808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.35e+07,'cm^3/(mol*s)'), n=1.64, Ea=(1.54808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CdCt;HJ """, ) @@ -51418,18 +34329,11 @@ index = 2576, label = "H + C8H8-7 <=> C8H9-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.98e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.14216, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.98e+07,'cm^3/(mol*s)'), n=1.64, Ea=(4.14216,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CtCt;HJ """, ) @@ -51438,18 +34342,11 @@ index = 2577, label = "H + C10H12-2 <=> C10H13-77", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.87e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.87e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbH;HJ """, ) @@ -51458,18 +34355,11 @@ index = 2578, label = "H + C11H14 <=> C11H15-78", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.5e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.2968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.5e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CbCs;HJ """, ) @@ -51478,18 +34368,11 @@ index = 2579, label = "H + C5H8-3 <=> C5H9-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.51e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.8407, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.51e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.8407,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;HJ """, ) @@ -51498,18 +34381,11 @@ index = 2580, label = "H + C4H6-2 <=> C4H7-11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.24e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.0416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.24e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-HH;HJ """, ) @@ -51518,18 +34394,11 @@ index = 2581, label = "H + C5H8-4 <=> C5H9-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.74e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.99144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.74e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.99144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsH;HJ """, ) @@ -51538,18 +34407,11 @@ index = 2582, label = "H + C6H10-3 <=> C6H11-25", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.02e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.81576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.02e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.81576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CsCs;HJ """, ) @@ -51558,18 +34420,11 @@ index = 2583, label = "H + C6H8-3 <=> C6H9-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.24e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.84928, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.24e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.84928,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdH;HJ """, ) @@ -51578,18 +34433,11 @@ index = 2584, label = "H + C7H10-5 <=> C7H11-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.81e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (2.80328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.81e+08,'cm^3/(mol*s)'), n=1.64, Ea=(2.80328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCs;HJ """, ) @@ -51598,18 +34446,11 @@ index = 2585, label = "H + C8H10 <=> C8H11-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.74e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-0.04184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.74e+08,'cm^3/(mol*s)'), n=1.64, Ea=(-0.04184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCd;HJ """, ) @@ -51618,18 +34459,11 @@ index = 2586, label = "H + C6H6-6 <=> C6H7-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.56e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.97896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.56e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.97896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtH;HJ """, ) @@ -51638,18 +34472,11 @@ index = 2587, label = "H + C7H8-16 <=> C7H9-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.79e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.89112, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.79e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.89112,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCs;HJ """, ) @@ -51658,18 +34485,11 @@ index = 2588, label = "H + C8H8-8 <=> C8H9-33", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.31e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.4184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.31e+07,'cm^3/(mol*s)'), n=1.64, Ea=(0.4184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CdCt;HJ """, ) @@ -51678,18 +34498,11 @@ index = 2589, label = "H + C8H6-3 <=> C8H7-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.57e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.01248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.57e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.01248,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CtCt;HJ """, ) @@ -51698,18 +34511,11 @@ index = 2590, label = "H + C10H10-15 <=> C10H11-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.2e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.301, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.2e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.301,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbH;HJ """, ) @@ -51718,18 +34524,11 @@ index = 2591, label = "H + C11H12 <=> C11H13-62", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.24e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.209, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.24e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.209,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Cds-CbCs;HJ """, ) @@ -51738,18 +34537,11 @@ index = 2592, label = "H + C5H6-5 <=> C5H7-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.47e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.711, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.47e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.711,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdH_Ca;HJ """, ) @@ -51758,18 +34550,11 @@ index = 2593, label = "H + C5H8-5 <=> C5H9-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.1796, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.1796,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-HH;HJ """, ) @@ -51778,18 +34563,11 @@ index = 2594, label = "H + C6H10-4 <=> C6H11-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.11e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.11e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsH;HJ """, ) @@ -51798,18 +34576,11 @@ index = 2595, label = "H + C7H12-2 <=> C7H13-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.29e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.95376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.29e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.95376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CsCs;HJ """, ) @@ -51818,18 +34589,11 @@ index = 2596, label = "H + C7H10-6 <=> C7H11-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.03e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.98728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.03e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.98728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdH;HJ """, ) @@ -51838,18 +34602,11 @@ index = 2597, label = "H + C8H12-2 <=> C8H13-62", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.32e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.98312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.32e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.98312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCs;HJ """, ) @@ -51858,18 +34615,11 @@ index = 2598, label = "H + C9H12 <=> C9H13-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.11e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.11e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCd;HJ """, ) @@ -51878,18 +34628,11 @@ index = 2599, label = "H + C7H8-17 <=> C7H9-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.97e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.1588, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.97e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.1588,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtH;HJ """, ) @@ -51898,18 +34641,11 @@ index = 2600, label = "H + C8H10-2 <=> C8H11-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.15e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.07096, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.15e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.07096,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCs;HJ """, ) @@ -51918,18 +34654,11 @@ index = 2601, label = "H + C9H10-13 <=> C9H11-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.39e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.59824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.39e+07,'cm^3/(mol*s)'), n=1.64, Ea=(3.59824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CdCt;HJ """, ) @@ -51938,18 +34667,11 @@ index = 2602, label = "H + C9H8-15 <=> C9H9-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.01e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.01e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CtCt;HJ """, ) @@ -51958,18 +34680,11 @@ index = 2603, label = "H + C11H12-2 <=> C11H13-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.69e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.4808, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.69e+07,'cm^3/(mol*s)'), n=1.64, Ea=(15.4808,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbH;HJ """, ) @@ -51978,18 +34693,11 @@ index = 2604, label = "H + C12H14 <=> C12H15-72", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.92e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.92e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Cds-CbCs;HJ """, ) @@ -51998,18 +34706,11 @@ index = 2605, label = "H + C6H8-10 <=> C6H9-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.38e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.8909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.38e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.8909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCs_Ca;HJ """, ) @@ -52018,18 +34719,11 @@ index = 2606, label = "H + C6H8-11 <=> C6H9-41", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.8155, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.8155,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-HH;HJ """, ) @@ -52038,18 +34732,11 @@ index = 2607, label = "H + C7H10-7 <=> C7H11-57", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.45e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.7654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.45e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.7654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsH;HJ """, ) @@ -52058,18 +34745,11 @@ index = 2608, label = "H + C8H12-3 <=> C8H13-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.68e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.5897, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.68e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.5897,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CsCs;HJ """, ) @@ -52078,18 +34758,11 @@ index = 2609, label = "H + C8H10-3 <=> C8H11-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.34e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.6232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.34e+08,'cm^3/(mol*s)'), n=1.64, Ea=(9.6232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdH;HJ """, ) @@ -52098,18 +34771,11 @@ index = 2610, label = "H + C9H12-2 <=> C9H13-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.51e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.61904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.51e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.61904,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCs;HJ """, ) @@ -52118,18 +34784,11 @@ index = 2611, label = "H + C10H12-3 <=> C10H13-78", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.9e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.77392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.9e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.77392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCd;HJ """, ) @@ -52138,18 +34797,11 @@ index = 2612, label = "H + C8H8-4 <=> C8H9-34", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.3e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.3e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtH;HJ """, ) @@ -52158,18 +34810,11 @@ index = 2613, label = "H + C9H10-11 <=> C9H11-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.49e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.70688, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.49e+08,'cm^3/(mol*s)'), n=1.64, Ea=(9.70688,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCs;HJ """, ) @@ -52178,18 +34823,11 @@ index = 2614, label = "H + C10H10-18 <=> C10H11-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.41e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.23416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.41e+07,'cm^3/(mol*s)'), n=1.64, Ea=(6.23416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CdCt;HJ """, ) @@ -52198,18 +34836,11 @@ index = 2615, label = "H + C10H8-27 <=> C10H9-40", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.31e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.82824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.31e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.82824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CtCt;HJ """, ) @@ -52218,18 +34849,11 @@ index = 2616, label = "H + C12H12 <=> C12H13-49", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.5e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.1167, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.5e+07,'cm^3/(mol*s)'), n=1.64, Ea=(18.1167,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbH;HJ """, ) @@ -52238,18 +34862,11 @@ index = 2617, label = "H + C13H14 <=> C13H15-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.03e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.0247, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.03e+08,'cm^3/(mol*s)'), n=1.64, Ea=(16.0247,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Cds-CbCs;HJ """, ) @@ -52258,18 +34875,11 @@ index = 2618, label = "H + C7H8-18 <=> C7H9-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.22e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.5268, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.22e+08,'cm^3/(mol*s)'), n=1.64, Ea=(16.5268,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCd_Ca;HJ """, ) @@ -52278,18 +34888,11 @@ index = 2619, label = "H + C4H4-4 <=> C4H5-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.49e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.9202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.49e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.9202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-HH;HJ """, ) @@ -52298,18 +34901,11 @@ index = 2620, label = "H + C5H6-6 <=> C5H7-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.6e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.87008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.6e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.87008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsH;HJ """, ) @@ -52318,18 +34914,11 @@ index = 2621, label = "H + C6H8-12 <=> C6H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.85e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.6944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.85e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.6944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CsCs;HJ """, ) @@ -52338,18 +34927,11 @@ index = 2622, label = "H + C6H6-7 <=> C6H7-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.48e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.72792, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.48e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.72792,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdH;HJ """, ) @@ -52358,18 +34940,11 @@ index = 2623, label = "H + C7H8-19 <=> C7H9-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.66e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.72376, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.66e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.72376,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCs;HJ """, ) @@ -52378,18 +34953,11 @@ index = 2624, label = "H + C8H8-5 <=> C8H9-35", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.59e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (0.87864, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.59e+08,'cm^3/(mol*s)'), n=1.64, Ea=(0.87864,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCd;HJ """, ) @@ -52398,18 +34966,11 @@ index = 2625, label = "H + C6H4 <=> C6H5-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.86e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.89944, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.86e+08,'cm^3/(mol*s)'), n=1.64, Ea=(5.89944,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtH;HJ """, ) @@ -52418,18 +34979,11 @@ index = 2626, label = "H + C7H6-4 <=> C7H7-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.65e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (4.8116, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.65e+08,'cm^3/(mol*s)'), n=1.64, Ea=(4.8116,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCs;HJ """, ) @@ -52438,18 +34992,11 @@ index = 2627, label = "H + C8H6-4 <=> C8H7-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.87e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (1.33888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.87e+07,'cm^3/(mol*s)'), n=1.64, Ea=(1.33888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CdCt;HJ """, ) @@ -52458,18 +35005,11 @@ index = 2628, label = "H + C8H4 <=> C8H5-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.44e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (3.93296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.44e+08,'cm^3/(mol*s)'), n=1.64, Ea=(3.93296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CtCt;HJ """, ) @@ -52478,18 +35018,11 @@ index = 2629, label = "H + C10H8-7 <=> C10H9-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.86e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.2214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.86e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.2214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbH;HJ """, ) @@ -52498,18 +35031,11 @@ index = 2630, label = "H + C11H10-3 <=> C11H11-29", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.14e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.1294, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.14e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.1294,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Cds-CbCs;HJ """, ) @@ -52518,18 +35044,11 @@ index = 2631, label = "H + C5H4 <=> C5H5-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.6315, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.6315,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtH_Ca;HJ """, ) @@ -52538,18 +35057,11 @@ index = 2632, label = "H + C5H6-7 <=> C5H7-19", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.17e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.6063, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.17e+07,'cm^3/(mol*s)'), n=1.64, Ea=(15.6063,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-HH;HJ """, ) @@ -52558,18 +35070,11 @@ index = 2633, label = "H + C6H8-13 <=> C6H9-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.84e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.5562, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.84e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.5562,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsH;HJ """, ) @@ -52578,18 +35083,11 @@ index = 2634, label = "H + C7H10-8 <=> C7H11-58", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.14e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.3805, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.14e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.3805,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CsCs;HJ """, ) @@ -52598,18 +35096,11 @@ index = 2635, label = "H + C7H8-20 <=> C7H9-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.13e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.414, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.13e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.414,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdH;HJ """, ) @@ -52618,18 +35109,11 @@ index = 2636, label = "H + C8H10-4 <=> C8H11-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.02e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.02e+08,'cm^3/(mol*s)'), n=1.64, Ea=(8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCs;HJ """, ) @@ -52638,18 +35122,11 @@ index = 2637, label = "H + C9H10-12 <=> C9H11-68", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.83e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.52288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.83e+07,'cm^3/(mol*s)'), n=1.64, Ea=(5.52288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCd;HJ """, ) @@ -52658,18 +35135,11 @@ index = 2638, label = "H + C7H6-5 <=> C7H7-22", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.83e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.5437, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.83e+07,'cm^3/(mol*s)'), n=1.64, Ea=(10.5437,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtH;HJ """, ) @@ -52678,18 +35148,11 @@ index = 2639, label = "H + C8H8-6 <=> C8H9-36", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.02e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.45584, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.02e+08,'cm^3/(mol*s)'), n=1.64, Ea=(9.45584,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCs;HJ """, ) @@ -52698,18 +35161,11 @@ index = 2640, label = "H + C9H8-16 <=> C9H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (5.98312, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3e+07,'cm^3/(mol*s)'), n=1.64, Ea=(5.98312,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CdCt;HJ """, ) @@ -52718,18 +35174,11 @@ index = 2641, label = "H + C9H6 <=> C9H7-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.9e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.5772, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.9e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.5772,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CtCt;HJ """, ) @@ -52738,18 +35187,11 @@ index = 2642, label = "H + C11H10-4 <=> C11H11-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.38e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (17.8657, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.38e+07,'cm^3/(mol*s)'), n=1.64, Ea=(17.8657,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbH;HJ """, ) @@ -52758,18 +35200,11 @@ index = 2643, label = "H + C12H12-4 <=> C12H13-50", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.01e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.7737, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.01e+07,'cm^3/(mol*s)'), n=1.64, Ea=(15.7737,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Cds-CbCs;HJ """, ) @@ -52778,18 +35213,11 @@ index = 2644, label = "H + C6H6-8 <=> C6H7-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.3e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.2758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.3e+07,'cm^3/(mol*s)'), n=1.64, Ea=(16.2758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCs_Ca;HJ """, ) @@ -52798,18 +35226,11 @@ index = 2645, label = "H + C6H6-11 <=> C6H7-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (17.9912, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(17.9912,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-HH;HJ """, ) @@ -52818,18 +35239,11 @@ index = 2646, label = "H + C7H8-22 <=> C7H9-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.45e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.941, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.45e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.941,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CsH;HJ """, ) @@ -52838,18 +35252,11 @@ index = 2647, label = "H + C8H10-6 <=> C8H11-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.69e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.7654, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.69e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.7654,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CsCs;HJ """, ) @@ -52858,18 +35265,11 @@ index = 2648, label = "H + C8H8-9 <=> C8H9-37", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.35e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.35e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdH;HJ """, ) @@ -52878,18 +35278,11 @@ index = 2649, label = "H + C9H10-14 <=> C9H11-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.51e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.7947, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.51e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.7947,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdCs;HJ """, ) @@ -52898,18 +35291,11 @@ index = 2650, label = "H + C10H10-19 <=> C10H11-66", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.45e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (7.90776, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.45e+08,'cm^3/(mol*s)'), n=1.64, Ea=(7.90776,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdCd;HJ """, ) @@ -52918,18 +35304,11 @@ index = 2651, label = "H + C8H6-5 <=> C8H7-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.3e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.9704, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.3e+08,'cm^3/(mol*s)'), n=1.64, Ea=(12.9704,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CtH;HJ """, ) @@ -52938,18 +35317,11 @@ index = 2652, label = "H + C9H8-17 <=> C9H9-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.5e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.8826, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.8826,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CtCs;HJ """, ) @@ -52958,18 +35330,11 @@ index = 2653, label = "H + C10H8-28 <=> C10H9-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.86e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.40984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.86e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.40984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CdCt;HJ """, ) @@ -52978,18 +35343,11 @@ index = 2654, label = "H + C10H6-7 <=> C10H7-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.32e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.0039, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.32e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.0039,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CtCt;HJ """, ) @@ -52998,18 +35356,11 @@ index = 2655, label = "H + C12H10 <=> C12H11-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.51e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.51e+07,'cm^3/(mol*s)'), n=1.64, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CbH;HJ """, ) @@ -53018,18 +35369,11 @@ index = 2656, label = "H + C13H12 <=> C13H13-27", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.1586, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.1586,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Cds-CbCs;HJ """, ) @@ -53038,18 +35382,11 @@ index = 2657, label = "H + C7H6-7 <=> C7H7-23", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.23e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.7025, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.23e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.7025,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CdCt_Ca;HJ """, ) @@ -53058,18 +35395,11 @@ index = 2658, label = "H + C6H4-5 <=> C6H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.27e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (20.5016, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.27e+08,'cm^3/(mol*s)'), n=1.64, Ea=(20.5016,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-HH;HJ """, ) @@ -53078,18 +35408,11 @@ index = 2659, label = "H + C7H6-8 <=> C7H7-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.4514, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.4514,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CsH;HJ """, ) @@ -53098,18 +35421,11 @@ index = 2660, label = "H + C8H8-10 <=> C8H9-38", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.58e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.2758, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.58e+08,'cm^3/(mol*s)'), n=1.64, Ea=(16.2758,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CsCs;HJ """, ) @@ -53118,18 +35434,11 @@ index = 2661, label = "H + C8H6-6 <=> C8H7-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.26e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.3093, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.26e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.3093,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdH;HJ """, ) @@ -53138,18 +35447,11 @@ index = 2662, label = "H + C9H8-18 <=> C9H9-44", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.41e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.3051, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.41e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.3051,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdCs;HJ """, ) @@ -53158,18 +35460,11 @@ index = 2663, label = "H + C10H8-29 <=> C10H9-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.36e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.4182, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.36e+08,'cm^3/(mol*s)'), n=1.64, Ea=(10.4182,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdCd;HJ """, ) @@ -53178,18 +35473,11 @@ index = 2664, label = "H + C8H4-2 <=> C8H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.22e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.439, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.22e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.439,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CtH;HJ """, ) @@ -53198,18 +35486,11 @@ index = 2665, label = "H + C9H6-2 <=> C9H7-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.4e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.393, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.4e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.393,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CtCs;HJ """, ) @@ -53218,18 +35499,11 @@ index = 2666, label = "H + C10H6-8 <=> C10H7-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.14e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (10.9202, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.14e+07,'cm^3/(mol*s)'), n=1.64, Ea=(10.9202,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CdCt;HJ """, ) @@ -53238,18 +35512,11 @@ index = 2667, label = "H + C10H4 <=> C10H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.46e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.5143, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.46e+08,'cm^3/(mol*s)'), n=1.64, Ea=(13.5143,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CtCt;HJ """, ) @@ -53258,18 +35525,11 @@ index = 2668, label = "H + C12H8 <=> C12H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.28e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (22.761, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.28e+07,'cm^3/(mol*s)'), n=1.64, Ea=(22.761,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CbH;HJ """, ) @@ -53278,18 +35538,11 @@ index = 2669, label = "H + C13H10 <=> C13H11-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.68e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (20.669, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.68e+07,'cm^3/(mol*s)'), n=1.64, Ea=(20.669,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Cds-CbCs;HJ """, ) @@ -53298,18 +35551,11 @@ index = 2670, label = "H + C7H4 <=> C7H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.15e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.171, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.15e+08,'cm^3/(mol*s)'), n=1.64, Ea=(21.171,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CtCt_Ca;HJ """, ) @@ -53318,18 +35564,11 @@ index = 2671, label = "H + C8H8-2 <=> C8H9-39", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.7e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.9535, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.7e+07,'cm^3/(mol*s)'), n=1.64, Ea=(18.9535,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-HH;HJ """, ) @@ -53338,18 +35577,11 @@ index = 2672, label = "H + C9H10-2 <=> C9H11-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.04e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.8615, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.04e+07,'cm^3/(mol*s)'), n=1.64, Ea=(16.8615,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsH;HJ """, ) @@ -53358,18 +35590,11 @@ index = 2673, label = "H + C10H12-4 <=> C10H13-79", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.85e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.6858, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.85e+07,'cm^3/(mol*s)'), n=1.64, Ea=(14.6858,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CsCs;HJ """, ) @@ -53378,18 +35603,11 @@ index = 2674, label = "H + C10H10-14 <=> C10H11-24", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.68e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.7612, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.68e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.7612,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdH;HJ """, ) @@ -53398,18 +35616,11 @@ index = 2675, label = "H + C11H12-3 <=> C11H13-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.24e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.24e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCs;HJ """, ) @@ -53418,18 +35629,11 @@ index = 2676, label = "H + C12H12-2 <=> C12H13-51", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.03e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.87008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.03e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.87008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCd;HJ """, ) @@ -53438,18 +35642,11 @@ index = 2677, label = "H + C10H8-5 <=> C10H9-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.52e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.8909, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.52e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.8909,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtH;HJ """, ) @@ -53458,18 +35655,11 @@ index = 2678, label = "H + C11H10 <=> C11H11-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.19e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.803, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.19e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.803,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCs;HJ """, ) @@ -53478,18 +35668,11 @@ index = 2679, label = "H + C12H10-2 <=> C12H11-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.54e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.33032, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.54e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.33032,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CdCt;HJ """, ) @@ -53498,18 +35681,11 @@ index = 2680, label = "H + C12H8-2 <=> C12H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.56e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.9244, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.56e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.9244,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CtCt;HJ """, ) @@ -53518,18 +35694,11 @@ index = 2681, label = "H + C14H12 <=> C14H13-17", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.44e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.2129, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.44e+07,'cm^3/(mol*s)'), n=1.64, Ea=(21.2129,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbH;HJ """, ) @@ -53538,18 +35707,11 @@ index = 2682, label = "H + C15H14 <=> C15H15-30", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.59e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (19.1209, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.59e+07,'cm^3/(mol*s)'), n=1.64, Ea=(19.1209,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Cds-CbCs;HJ """, ) @@ -53558,18 +35720,11 @@ index = 2683, label = "H + C9H8-12 <=> C9H9-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.25e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (19.623, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.25e+07,'cm^3/(mol*s)'), n=1.64, Ea=(19.623,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbH_Ca;HJ """, ) @@ -53578,18 +35733,11 @@ index = 2684, label = "H + C9H10-3 <=> C9H11-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.73e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.7443, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.73e+07,'cm^3/(mol*s)'), n=1.64, Ea=(18.7443,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-HH;HJ """, ) @@ -53598,18 +35746,11 @@ index = 2685, label = "H + C10H12-5 <=> C10H13-80", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.22e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (16.6942, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.22e+07,'cm^3/(mol*s)'), n=1.64, Ea=(16.6942,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsH;HJ """, ) @@ -53618,18 +35759,11 @@ index = 2686, label = "H + C11H14-2 <=> C11H15-79", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.37e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.5185, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.37e+07,'cm^3/(mol*s)'), n=1.64, Ea=(14.5185,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CsCs;HJ """, ) @@ -53638,18 +35772,11 @@ index = 2687, label = "H + C11H12-4 <=> C11H13-65", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.7e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.552, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.7e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.552,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdH;HJ """, ) @@ -53658,18 +35785,11 @@ index = 2688, label = "H + C12H14-2 <=> C12H15-73", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.51e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.506, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.51e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.506,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCs;HJ """, ) @@ -53678,18 +35798,11 @@ index = 2689, label = "H + C13H14-2 <=> C13H15-71", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.21e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.66088, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.21e+07,'cm^3/(mol*s)'), n=1.64, Ea=(8.66088,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCd;HJ """, ) @@ -53698,18 +35811,11 @@ index = 2690, label = "H + C11H10-2 <=> C11H11-32", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.48e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.6817, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.48e+07,'cm^3/(mol*s)'), n=1.64, Ea=(13.6817,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtH;HJ """, ) @@ -53718,18 +35824,11 @@ index = 2691, label = "H + C12H12-3 <=> C12H13-52", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.44e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.5938, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.44e+07,'cm^3/(mol*s)'), n=1.64, Ea=(12.5938,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCs;HJ """, ) @@ -53738,18 +35837,11 @@ index = 2692, label = "H + C13H12-2 <=> C13H13-28", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.2e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (9.16296, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.2e+07,'cm^3/(mol*s)'), n=1.64, Ea=(9.16296,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CdCt;HJ """, ) @@ -53758,18 +35850,11 @@ index = 2693, label = "H + C13H10-2 <=> C13H11-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.53e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7152, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.53e+07,'cm^3/(mol*s)'), n=1.64, Ea=(11.7152,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CtCt;HJ """, ) @@ -53778,18 +35863,11 @@ index = 2694, label = "H + C15H14-2 <=> C15H15-31", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.74e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.0037, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.74e+07,'cm^3/(mol*s)'), n=1.64, Ea=(21.0037,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbH;HJ """, ) @@ -53798,18 +35876,11 @@ index = 2695, label = "H + C16H16 <=> C16H17-38", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.028e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.9117, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.028e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.9117,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Cds-CbCs;HJ """, ) @@ -53818,18 +35889,11 @@ index = 2696, label = "H + C10H10-17 <=> C10H11-67", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.09e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (19.4138, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.09e+07,'cm^3/(mol*s)'), n=1.64, Ea=(19.4138,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CbCs_Ca;HJ """, ) @@ -53838,18 +35902,11 @@ index = 2697, label = "H + C2H2 <=> C2H3-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.03e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (8.82824, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.03e+09,'cm^3/(mol*s)'), n=1.64, Ea=(8.82824,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;HJ """, ) @@ -53858,18 +35915,11 @@ index = 2698, label = "H + C3H4-2 <=> C3H5-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.5e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (13.0959, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.5e+09,'cm^3/(mol*s)'), n=1.64, Ea=(13.0959,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cs;HJ """, ) @@ -53878,18 +35928,11 @@ index = 2699, label = "H + C4H4-3 <=> C4H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.7e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.86176, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.7e+08,'cm^3/(mol*s)'), n=1.64, Ea=(6.86176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Cd;HJ """, ) @@ -53898,18 +35941,11 @@ index = 2700, label = "H + C4H2 <=> C4H3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.48e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (6.19232, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.48e+09,'cm^3/(mol*s)'), n=1.64, Ea=(6.19232,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-Ct;HJ """, ) @@ -53918,18 +35954,11 @@ index = 2701, label = "H + C3H4-4 <=> C3H5-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.92e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.2256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.92e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-H;HJ """, ) @@ -53938,18 +35967,11 @@ index = 2702, label = "H + C4H6-5 <=> C4H7-12", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.04e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.4933, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.04e+09,'cm^3/(mol*s)'), n=1.64, Ea=(18.4933,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cs;HJ """, ) @@ -53958,18 +35980,11 @@ index = 2703, label = "H + C5H6-8 <=> C5H7-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.66e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.2591, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.66e+08,'cm^3/(mol*s)'), n=1.64, Ea=(12.2591,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Cd;HJ """, ) @@ -53978,18 +35993,11 @@ index = 2704, label = "H + C5H4-2 <=> C5H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.71e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.5897, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.71e+09,'cm^3/(mol*s)'), n=1.64, Ea=(11.5897,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cs_Ct-Ct;HJ """, ) @@ -53998,18 +36006,11 @@ index = 2705, label = "H + C4H4-2 <=> C4H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.62e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.7277, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.62e+08,'cm^3/(mol*s)'), n=1.64, Ea=(14.7277,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-H;HJ """, ) @@ -54018,18 +36019,11 @@ index = 2706, label = "H + C5H6-9 <=> C5H7-21", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.63e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (18.9954, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.63e+08,'cm^3/(mol*s)'), n=1.64, Ea=(18.9954,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cs;HJ """, ) @@ -54038,18 +36032,11 @@ index = 2707, label = "H + C6H6-9 <=> C6H7-25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.8e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.7612, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.8e+08,'cm^3/(mol*s)'), n=1.64, Ea=(12.7612,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Cd;HJ """, ) @@ -54058,18 +36045,11 @@ index = 2708, label = "H + C6H4-2 <=> C6H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.16e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (12.0918, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.16e+09,'cm^3/(mol*s)'), n=1.64, Ea=(12.0918,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Cd_Ct-Ct;HJ """, ) @@ -54078,18 +36058,11 @@ index = 2709, label = "H + C4H2-2 <=> C4H3-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.674e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (17.2799, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.674e+09,'cm^3/(mol*s)'), n=1.64, Ea=(17.2799,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-H;HJ """, ) @@ -54098,18 +36071,11 @@ index = 2710, label = "H + C5H4-3 <=> C5H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.44e+09, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (21.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.44e+09,'cm^3/(mol*s)'), n=1.64, Ea=(21.5058,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cs;HJ """, ) @@ -54118,18 +36084,11 @@ index = 2711, label = "H + C6H4-3 <=> C6H5-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.27e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.3134, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.27e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.3134,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Cd;HJ """, ) @@ -54138,18 +36097,11 @@ index = 2712, label = "H + C6H2 <=> C6H3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.38e+10, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (14.644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.38e+10,'cm^3/(mol*s)'), n=1.64, Ea=(14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-Ct_Ct-Ct;HJ """, ) @@ -54158,18 +36110,11 @@ index = 2713, label = "H + C3H4 <=> C3H5-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.42e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.7989, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.42e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.7989,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;HJ """, ) @@ -54178,18 +36123,11 @@ index = 2714, label = "H + C4H6-4 <=> C4H7-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.46e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (15.8155, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.46e+08,'cm^3/(mol*s)'), n=1.64, Ea=(15.8155,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsH;HJ """, ) @@ -54198,18 +36136,11 @@ index = 2715, label = "H + C5H8-6 <=> C5H9-20", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.06e+08, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (11.4642, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.06e+08,'cm^3/(mol*s)'), n=1.64, Ea=(11.4642,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-CsCs;HJ """, ) @@ -54218,18 +36149,11 @@ index = 2716, label = "H + CH2S <=> CH3S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.62e+08, 'cm^3/(mol*s)'), - n = 1.7, - Ea = (2.5104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.62e+08,'cm^3/(mol*s)'), n=1.7, Ea=(2.5104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;HJ """, ) @@ -54238,18 +36162,11 @@ index = 2717, label = "CH2S + CH3 <=> C2H5S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (11500, 'cm^3/(mol*s)'), - n = 2.8, - Ea = (-0.8368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(11500,'cm^3/(mol*s)'), n=2.8, Ea=(-0.8368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-HHH """, ) @@ -54258,18 +36175,11 @@ index = 2718, label = "CH2S + C2H5 <=> C3H7S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (557, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-9.2048, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(557,'cm^3/(mol*s)'), n=2.9, Ea=(-9.2048,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-CsHH """, ) @@ -54278,18 +36188,11 @@ index = 2719, label = "CH2S + C3H7-2 <=> C4H9S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (178, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(178,'cm^3/(mol*s)'), n=2.9, Ea=(-16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-CsCsH """, ) @@ -54298,18 +36201,11 @@ index = 2720, label = "CH2S + C4H9 <=> C5H11S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (120, 'cm^3/(mol*s)'), - n = 3, - Ea = (-21.7568, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(120,'cm^3/(mol*s)'), n=3, Ea=(-21.7568,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", + shortDesc = """Aaron Vandeputte GAVs CBS-QB3 ref + G3 contributie""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;CsJ-CsCsCs """, ) @@ -54318,18 +36214,11 @@ index = 2721, label = "HS + CH2S <=> CH3S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (14600, 'cm^3/(mol*s)'), - n = 2.5, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(14600,'cm^3/(mol*s)'), n=2.5, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;SsJ-H """, ) @@ -54338,18 +36227,11 @@ index = 2722, label = "CH2S + CH3S-2 <=> C2H5S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (858, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-3.7656, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(858,'cm^3/(mol*s)'), n=2.9, Ea=(-3.7656,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;SsJ-Cs """, ) @@ -54358,18 +36240,11 @@ index = 2723, label = "HS2 + CH2S <=> CH3S3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (31.9, 'cm^3/(mol*s)'), - n = 3, - Ea = (52.7602, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(31.9,'cm^3/(mol*s)'), n=3, Ea=(52.7602,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Sd;SsJ-S2s """, ) @@ -54378,18 +36253,11 @@ index = 2724, label = "CH3 + C2H4S <=> C3H7S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (871, 'cm^3/(mol*s)'), - n = 2.7, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(871,'cm^3/(mol*s)'), n=2.7, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-HHH """, ) @@ -54398,18 +36266,11 @@ index = 2725, label = "CH3 + C3H6S <=> C4H9S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (195, 'cm^3/(mol*s)'), - n = 2.6, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(195,'cm^3/(mol*s)'), n=2.6, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Sd;CsJ-HHH """, ) @@ -54418,18 +36279,11 @@ index = 2726, label = "H + CH2S-2 <=> CH3S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.5e+08, 'cm^3/(mol*s)'), - n = 1.7, - Ea = (-2.9288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.5e+08,'cm^3/(mol*s)'), n=1.7, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;HJ """, ) @@ -54438,18 +36292,11 @@ index = 2727, label = "CH3 + CH2S-2 <=> C2H5S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3760, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3760,'cm^3/(mol*s)'), n=2.9, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-HHH """, ) @@ -54458,18 +36305,11 @@ index = 2728, label = "CH2S-2 + C2H5 <=> C3H7S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (169, 'cm^3/(mol*s)'), - n = 3, - Ea = (-4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(169,'cm^3/(mol*s)'), n=3, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-CsHH """, ) @@ -54478,18 +36318,11 @@ index = 2729, label = "CH2S-2 + C3H7-2 <=> C4H9S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (64.4, 'cm^3/(mol*s)'), - n = 3, - Ea = (-10.0416, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(64.4,'cm^3/(mol*s)'), n=3, Ea=(-10.0416,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-CsCsH """, ) @@ -54498,18 +36331,11 @@ index = 2730, label = "CH2S-2 + C4H9 <=> C5H11S-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (36.2, 'cm^3/(mol*s)'), - n = 3.1, - Ea = (-13.3888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(36.2,'cm^3/(mol*s)'), n=3.1, Ea=(-13.3888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;CsJ-CsCsCs """, ) @@ -54518,18 +36344,11 @@ index = 2731, label = "HS + CH2S-2 <=> CH3S2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7220, 'cm^3/(mol*s)'), - n = 2.6, - Ea = (-25.104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7220,'cm^3/(mol*s)'), n=2.6, Ea=(-25.104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;SsJ-H """, ) @@ -54538,18 +36357,11 @@ index = 2732, label = "CH2S-2 + CH3S-2 <=> C2H5S2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (382, 'cm^3/(mol*s)'), - n = 3, - Ea = (-14.2256, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(382,'cm^3/(mol*s)'), n=3, Ea=(-14.2256,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;SsJ-Cs """, ) @@ -54558,18 +36370,11 @@ index = 2733, label = "HS2 + CH2S-2 <=> CH3S3-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (13.4, 'cm^3/(mol*s)'), - n = 3.3, - Ea = (111.838, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(13.4,'cm^3/(mol*s)'), n=3.3, Ea=(111.838,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-HH;SsJ-S2s """, ) @@ -54578,18 +36383,11 @@ index = 2734, label = "CH3 + C2H4S-2 <=> C3H7S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5360, 'cm^3/(mol*s)'), - n = 2.8, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5360,'cm^3/(mol*s)'), n=2.8, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsH;CsJ-HHH """, ) @@ -54598,18 +36396,11 @@ index = 2735, label = "CH3 + C3H6S-2 <=> C4H9S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5290, 'cm^3/(mol*s)'), - n = 2.7, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5290,'cm^3/(mol*s)'), n=2.7, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsCs;CsJ-HHH """, ) @@ -54618,18 +36409,11 @@ index = 2736, label = "CH3 + C3H4S <=> C4H7S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 3.2, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=3.2, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CdH;CsJ-HHH """, ) @@ -54638,18 +36422,11 @@ index = 2737, label = "CH3 + C4H6S <=> C5H9S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1680, 'cm^3/(mol*s)'), - n = 3.1, - Ea = (20.2924, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1680,'cm^3/(mol*s)'), n=3.1, Ea=(20.2924,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CdCs;CsJ-HHH """, ) @@ -54658,18 +36435,11 @@ index = 2738, label = "HS + C2H4 <=> C2H5S-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4980, 'cm^3/(mol*s)'), - n = 2.7, - Ea = (-3.3472, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4980,'cm^3/(mol*s)'), n=2.7, Ea=(-3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;SsJ-H """, ) @@ -54678,18 +36448,11 @@ index = 2739, label = "C2H4 + CH3S-2 <=> C3H7S-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (147.8, 'cm^3/(mol*s)'), - n = 3.1, - Ea = (5.4392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(147.8,'cm^3/(mol*s)'), n=3.1, Ea=(5.4392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;SsJ-Cs """, ) @@ -54698,18 +36461,11 @@ index = 2740, label = "HS2 + C2H4 <=> C2H5S2-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.42, 'cm^3/(mol*s)'), - n = 3.3, - Ea = (70.6678, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.42,'cm^3/(mol*s)'), n=3.3, Ea=(70.6678,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Aaron Vandeputte GAVs G3""", + shortDesc = """Aaron Vandeputte GAVs G3""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;SsJ-S2s """, ) @@ -54718,18 +36474,11 @@ index = 2741, label = "H + C2H4 <=> C2H5-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (5.0208, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(5.0208,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds;HJ """, ) @@ -54738,18 +36487,11 @@ index = 2742, label = "H + propene_2 <=> C3H7-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (12.1336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds;HJ """, ) @@ -54758,18 +36500,11 @@ index = 2743, label = "H + C4H8-2 <=> C4H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (12.1336, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(12.1336,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds;HJ """, ) @@ -54778,18 +36513,11 @@ index = 2744, label = "CH3 + C2H4 <=> C3H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.7e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.7e+11,'cm^3/(mol*s)'), n=0, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds;CsJ """, ) @@ -54798,18 +36526,11 @@ index = 2745, label = "CH3 + propene_2 <=> C4H9-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds;CsJ """, ) @@ -54818,18 +36539,11 @@ index = 2746, label = "CH3 + C4H8-2 <=> C5H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds;CsJ """, ) @@ -54838,18 +36552,11 @@ index = 2747, label = "C2H4 + CH3O <=> C3H7O", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (52.3, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2e+11,'cm^3/(mol*s)'), n=0, Ea=(52.3,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", + shortDesc = """Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds;O_rad/NonDe """, ) @@ -54858,18 +36565,11 @@ index = 2748, label = "propene_2 + CH3O <=> C4H9O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (46.024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(46.024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", + shortDesc = """Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds;O_rad/NonDe """, ) @@ -54878,18 +36578,11 @@ index = 2749, label = "C4H8-2 + CH3O <=> C5H11O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (31.7984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(31.7984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", + shortDesc = """Curran et al. [8] in his reaction type 20. Based on recommendations of Chen and Bozzelli [57]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds;O_rad/NonDe """, ) @@ -54898,18 +36591,11 @@ index = 2750, label = "CH3O-2 + C2H4 <=> C3H7O-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.82e+10, 'cm^3/(mol*s)', '*|/', 5), - n = 0, - Ea = (29.1206, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.82e+10,'cm^3/(mol*s)','*|/',5), n=0, Ea=(29.1206,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2500,'K')), rank = 10, - shortDesc = u"""Tsang et al. [90] literature review.""", + shortDesc = """Tsang et al. [90] literature review.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CsJ-OsHH """, ) @@ -54918,18 +36604,11 @@ index = 2751, label = "OH + C2H4 <=> C2H5O", degeneracy = 2.0, - kinetics = Arrhenius( - A = (5.42e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.42e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Tsang et al. [89] literature review.""", + shortDesc = """Tsang et al. [89] literature review.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;OJ_pri """, ) @@ -54938,18 +36617,11 @@ index = 2752, label = "CH3 + C3H4-3 <=> C4H7-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.7e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.7e+11,'cm^3/(mol*s)'), n=0, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Ca;CsJ """, ) @@ -54958,18 +36630,11 @@ index = 2753, label = "CH3 + C4H6-3 <=> C5H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Ca;CsJ """, ) @@ -54978,18 +36643,11 @@ index = 2754, label = "CH3 + C5H8-3 <=> C6H11-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.5e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (44.3504, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.5e+10,'cm^3/(mol*s)'), n=0, Ea=(44.3504,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", + shortDesc = """Curran et al. [8] in his reaction type 3. Based on recommendations of Allara and Shaw [146]""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Ca;CsJ """, ) @@ -54998,18 +36656,11 @@ index = 2755, label = "H + CH2O <=> CH3O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 18.""", + shortDesc = """Curran et al. [8] in his reaction type 18.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;HJ """, ) @@ -55018,18 +36669,11 @@ index = 2756, label = "CH2O + CH3 <=> C2H5O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (49.7896, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1e+11,'cm^3/(mol*s)'), n=0, Ea=(49.7896,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran et al. [8] in his reaction type 18.""", + shortDesc = """Curran et al. [8] in his reaction type 18.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;CsJ """, ) @@ -55038,18 +36682,11 @@ index = 2757, label = "CHO + CH2O <=> C2H3O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.2e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (93.9308, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.2e+11,'cm^3/(mol*s)'), n=0, Ea=(93.9308,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Bozzelli et al. [144] based on CH3 addition to CO (Anastasi and Maw)""", + shortDesc = """Bozzelli et al. [144] based on CH3 addition to CO (Anastasi and Maw)""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;CO_pri_rad """, ) @@ -55058,18 +36695,11 @@ index = 2758, label = "CH2O + C2H3O-4 <=> C3H5O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.3e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (60.12, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.3e+11,'cm^3/(mol*s)'), n=0, Ea=(60.12,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""Curran esitmation [159] in DME oxidation modeling for ketohydroperoxide decomposition.""", + shortDesc = """Curran esitmation [159] in DME oxidation modeling for ketohydroperoxide decomposition.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO_O;O_rad/OneDe """, ) @@ -55078,18 +36708,11 @@ index = 2759, label = "CH2O + C2H5 <=> C3H7O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.94e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (28.0328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (333, 'K'), - Tmax = (363, 'K'), - ), + kinetics = Arrhenius(A=(7.94e+10,'cm^3/(mol*s)'), n=0, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(333,'K'), Tmax=(363,'K')), rank = 11, - shortDesc = u"""Knoll et al. [160] Data derived from fitting a complex mechanism.""", + shortDesc = """Knoll et al. [160] Data derived from fitting a complex mechanism.""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO-HH_O;CsJ-CsHH """, ) @@ -55098,18 +36721,11 @@ index = 2760, label = "CH3 + C3H6O <=> C4H9O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.16e+10, 'cm^3/(mol*s)'), - n = 0, - Ea = (48.1578, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (413, 'K'), - Tmax = (563, 'K'), - ), + kinetics = Arrhenius(A=(3.16e+10,'cm^3/(mol*s)'), n=0, Ea=(48.1578,'kJ/mol'), T0=(1,'K'), Tmin=(413,'K'), Tmax=(563,'K')), rank = 6, - shortDesc = u"""Knoll et al. [161]""", + shortDesc = """Knoll et al. [161]""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO-CsCs_O;CsJ-HHH """, ) @@ -55118,18 +36734,11 @@ index = 2761, label = "C2H + C2H2 <=> C4H3-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (0, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (700, 'K'), - Tmax = (1300, 'K'), - ), + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'kJ/mol'), T0=(1,'K'), Tmin=(700,'K'), Tmax=(1300,'K')), rank = 6, - shortDesc = u"""Duran et al. [165] Ab initio.""", + shortDesc = """Duran et al. [165] Ab initio.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CtJ_Ct """, ) @@ -55138,18 +36747,11 @@ index = 2762, label = "OH + C2H2 <=> C2H3O-5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.21e+12, 'cm^3/(mol*s)', '*|/', 10), - n = 0, - Ea = (1.92464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(1.21e+12,'cm^3/(mol*s)','*|/',10), n=0, Ea=(1.92464,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(1100,'K')), rank = 10, - shortDesc = u"""Baulch et al. [95] literature review.""", + shortDesc = """Baulch et al. [95] literature review.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;OJ_pri """, ) @@ -55158,18 +36760,11 @@ index = 2763, label = "C2H2 + CH3O <=> C3H5O-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.04e+12, 'cm^3/(mol*s)'), - n = 0, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04e+12,'cm^3/(mol*s)'), n=0, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""Bozzelli et al. [144] based on CH3 addition to C2H2 (NIST)""", + shortDesc = """Bozzelli et al. [144] based on CH3 addition to C2H2 (NIST)""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;OJ_sec """, ) @@ -55178,18 +36773,11 @@ index = 2764, label = "C3H3-2 + C2H4 <=> C5H7-22", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.08, 'cm^3/(mol*s)'), - n = 3.05, - Ea = (54.8104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.08,'cm^3/(mol*s)'), n=3.05, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", + shortDesc = """A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;CdsJ=Cdd """, ) @@ -55198,18 +36786,11 @@ index = 2765, label = "C3H3-2 + C2H2 <=> C5H5-8", degeneracy = 2.0, - kinetics = Arrhenius( - A = (340000, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (57.7392, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(340000,'cm^3/(mol*s)'), n=1.64, Ea=(57.7392,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", + shortDesc = """A.G. Vandeputte, BMK/cbsb7 no 1D-HR (slow anyway)""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ct-H_Ct-H;CdsJ=Cdd """, ) @@ -55218,17 +36799,10 @@ index = 2766, label = "HO2 + C2H4O <=> C2H5O3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.04245, 'cm^3/(mol*s)'), - n = 3.486, - Ea = (94.7258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1600, 'K'), - ), + kinetics = Arrhenius(A=(0.04245,'cm^3/(mol*s)'), n=3.486, Ea=(94.7258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K')), rank = 11, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-NdH_O;OJ-O2s """, ) @@ -55237,17 +36811,10 @@ index = 2767, label = "HO2 + C3H6O <=> C3H7O3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.04245, 'cm^3/(mol*s)'), - n = 3.486, - Ea = (94.7258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1600, 'K'), - ), + kinetics = Arrhenius(A=(0.04245,'cm^3/(mol*s)'), n=3.486, Ea=(94.7258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K')), rank = 11, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-CsCs_O;OJ-O2s """, ) @@ -55256,17 +36823,10 @@ index = 2768, label = "HO2 + CH2O <=> CH3O3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.04245, 'cm^3/(mol*s)'), - n = 3.486, - Ea = (94.7258, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1600, 'K'), - ), + kinetics = Arrhenius(A=(0.04245,'cm^3/(mol*s)'), n=3.486, Ea=(94.7258,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K')), rank = 11, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-HH_O;OJ-O2s """, ) @@ -55275,18 +36835,11 @@ index = 2769, label = "HO2 + C2H4 <=> C2H5O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (71.2, 'cm^3/(mol*s)'), - n = 3.22, - Ea = (46.4424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(71.2,'cm^3/(mol*s)'), n=3.22, Ea=(46.4424,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""pp, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """pp, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;OJ-O2s """, ) @@ -55295,18 +36848,11 @@ index = 2770, label = "HO2 + propene_1 <=> C3H7O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (791, 'cm^3/(mol*s)'), - n = 2.78, - Ea = (39.748, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(791,'cm^3/(mol*s)'), n=2.78, Ea=(39.748,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""ps, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """ps, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;OJ-O2s """, ) @@ -55315,18 +36861,11 @@ index = 2771, label = "HO2 + C4H8 <=> C4H9O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1350, 'cm^3/(mol*s)'), - n = 2.67, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(1350,'cm^3/(mol*s)'), n=2.67, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""pt, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """pt, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsCs;OJ-O2s """, ) @@ -55335,18 +36874,11 @@ index = 2772, label = "HO2 + propene_2 <=> C3H7O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (10.6, 'cm^3/(mol*s)'), - n = 3.29, - Ea = (38.0744, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(10.6,'cm^3/(mol*s)'), n=3.29, Ea=(38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""sp, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """sp, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;OJ-O2s """, ) @@ -55355,18 +36887,11 @@ index = 2773, label = "HO2 + butene2 <=> C4H9O2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (92.4, 'cm^3/(mol*s)'), - n = 3.09, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(92.4,'cm^3/(mol*s)'), n=3.09, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""ss, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """ss, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsH;OJ-O2s """, ) @@ -55375,18 +36900,11 @@ index = 2774, label = "HO2 + C5H10 <=> C5H11O2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (186, 'cm^3/(mol*s)'), - n = 2.95, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(186,'cm^3/(mol*s)'), n=2.95, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""st, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """st, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-CsCs;OJ-O2s """, ) @@ -55395,18 +36913,11 @@ index = 2775, label = "HO2 + C4H8-2 <=> C4H9O2-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.337, 'cm^3/(mol*s)'), - n = 3.67, - Ea = (30.1248, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(0.337,'cm^3/(mol*s)'), n=3.67, Ea=(30.1248,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""tp, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """tp, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-HH;OJ-O2s """, ) @@ -55415,18 +36926,11 @@ index = 2776, label = "HO2 + C5H10-2 <=> C5H11O2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.172, 'cm^3/(mol*s)'), - n = 3.7, - Ea = (19.6648, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(0.172,'cm^3/(mol*s)'), n=3.7, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""ts, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """ts, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsH;OJ-O2s """, ) @@ -55435,18 +36939,11 @@ index = 2777, label = "HO2 + C6H12 <=> C6H13O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.38, 'cm^3/(mol*s)'), - n = 3.44, - Ea = (11.2968, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (400, 'K'), - Tmax = (1100, 'K'), - ), + kinetics = Arrhenius(A=(3.38,'cm^3/(mol*s)'), n=3.44, Ea=(11.2968,'kJ/mol'), T0=(1,'K'), Tmin=(400,'K'), Tmax=(1100,'K')), rank = 5, - shortDesc = u"""tt, CBS-QB3 calculations, with hindered rotor treatment.""", + shortDesc = """tt, CBS-QB3 calculations, with hindered rotor treatment.""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsCs_Cds-CsCs;OJ-O2s """, ) @@ -55455,18 +36952,11 @@ index = 2778, label = "OH + propene_1 <=> C3H7O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (320000, 'cm^3/(mol*s)'), - n = 2.03, - Ea = (-14.644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(320000,'cm^3/(mol*s)'), n=2.03, Ea=(-14.644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""propene+OH rate coefficient""", + shortDesc = """propene+OH rate coefficient""", longDesc = -u""" +""" Ref Ab Initio Kinetics for the Decomposition of Hydroxybutyl and Butoxy Radicals of n-Butanol,Zhang P.,Klippenstein S.K.,Law C.K. The thermochemistry for the species is obtained from Mike's n-butanol paper dx.doi.org/10.1016/j.combustflame.2010.06.002 Original rate is too high (~ factor of 10) replaced with propene+OH rate coefficient @@ -55479,17 +36969,10 @@ index = 2779, label = "C3H6O-2 + CH3 <=> C4H9O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (532000, 'cm^3/(mol*s)'), - n = 1.85, - Ea = (23.8906, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(532000,'cm^3/(mol*s)'), n=1.85, Ea=(23.8906,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\O2s/H;CsJ-HHH """, ) @@ -55498,17 +36981,10 @@ index = 2780, label = "C2H4O-2 + C2H5 <=> C4H9O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1071, 'cm^3/(mol*s)'), - n = 2.72, - Ea = (34.4762, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1071,'cm^3/(mol*s)'), n=2.72, Ea=(34.4762,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-OsH;CsJ-CsHH """, ) @@ -55517,17 +36993,10 @@ index = 2781, label = "CH3O-2 + propene_1 <=> C4H9O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.381e+06, 'cm^3/(mol*s)'), - n = 1.76, - Ea = (37.1121, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.381e+06,'cm^3/(mol*s)'), n=1.76, Ea=(37.1121,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;CsJ-OsHH """, ) @@ -55536,17 +37005,10 @@ index = 2782, label = "H + C2H4O <=> C2H5O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.6e+09, 'cm^3/(mol*s)'), - n = 0.935, - Ea = (17.4473, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(9.6e+09,'cm^3/(mol*s)'), n=0.935, Ea=(17.4473,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, longDesc = -u""" +""" Converted to training reaction from rate rule: CO-NdH_O;HJ """, ) @@ -55555,18 +37017,11 @@ index = 2783, label = "H + CH2OS <=> CH3OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.79e+08, 'cm^3/(mol*s)'), - n = 1.63, - Ea = (11.3386, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.79e+08,'cm^3/(mol*s)'), n=1.63, Ea=(11.3386,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC CCSD(T)-F12a/vtz-f12 1DHR""", + shortDesc = """CAC CCSD(T)-F12a/vtz-f12 1DHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Sd;HJ """, ) @@ -55575,18 +37030,11 @@ index = 2784, label = "CH2OS + CH3 <=> C2H5OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (23200, 'cm^3/(mol*s)'), - n = 2.35, - Ea = (22.9702, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(23200,'cm^3/(mol*s)'), n=2.35, Ea=(22.9702,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC CCSD(T)-F12a/vtz-F12 1DHR""", + shortDesc = """CAC CCSD(T)-F12a/vtz-F12 1DHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Sd;CsJ-HHH """, ) @@ -55595,18 +37043,11 @@ index = 2785, label = "CH2OS + C2H5 <=> C3H7OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1650, 'cm^3/(mol*s)'), - n = 2.54, - Ea = (16.3176, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1650,'cm^3/(mol*s)'), n=2.54, Ea=(16.3176,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC CCSD(T)-F12a/vtz-F12 1dHR""", + shortDesc = """CAC CCSD(T)-F12a/vtz-F12 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Sd;CsJ-CsHH """, ) @@ -55615,18 +37056,11 @@ index = 2786, label = "C2H5 + C2H4S-2 <=> C4H9S-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (169, 'cm^3/(mol*s)'), - n = 3, - Ea = (-4.184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(169,'cm^3/(mol*s)'), n=3, Ea=(-4.184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""based on 2523""", + shortDesc = """based on 2523""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsH;CsJ-CsHH """, ) @@ -55635,18 +37069,11 @@ index = 2787, label = "H + C2H4S <=> C2H5S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.13e+09, 'cm^3/(mol*s)'), - n = 1.43, - Ea = (4.76976, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.13e+09,'cm^3/(mol*s)'), n=1.43, Ea=(4.76976,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;HJ """, ) @@ -55655,18 +37082,11 @@ index = 2788, label = "C2H5S-5 + C2H4S <=> C4H9S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.57, 'cm^3/(mol*s)'), - n = 3.04, - Ea = (-6.56888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.57,'cm^3/(mol*s)'), n=3.04, Ea=(-6.56888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-SsCsH """, ) @@ -55675,18 +37095,11 @@ index = 2789, label = "CH3 + C2H4S-2 <=> C3H7S-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.91e+06, 'cm^3/(mol*s)'), - n = 1.66, - Ea = (-3.64008, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.91e+06,'cm^3/(mol*s)'), n=1.66, Ea=(-3.64008,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-CsH;CsJ """, ) @@ -55695,18 +37108,11 @@ index = 2790, label = "H + COS <=> CHOS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.41e+09, 'cm^3/(mol*s)'), - n = 1.23, - Ea = (32.175, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.41e+09,'cm^3/(mol*s)'), n=1.23, Ea=(32.175,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, - shortDesc = u"""CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", + shortDesc = """CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: C=S_O;HJ """, ) @@ -55715,18 +37121,11 @@ index = 2791, label = "CH3 + COS <=> C2H3OS", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.04e+06, 'cm^3/(mol*s)'), - n = 1.68, - Ea = (54.1828, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.04e+06,'cm^3/(mol*s)'), n=1.68, Ea=(54.1828,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 5, - shortDesc = u"""CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", + shortDesc = """CAC calc CCSD(T)-F12a/vtz-f12 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: C=S_O;CsJ """, ) @@ -55735,18 +37134,11 @@ index = 2792, label = "C2H4S + C2H5 <=> C4H9S-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2310, 'cm^3/(mol*s)'), - n = 2.56, - Ea = (2.25936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2310,'cm^3/(mol*s)'), n=2.56, Ea=(2.25936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-CsHH """, ) @@ -55755,18 +37147,11 @@ index = 2793, label = "C2H4S + C3H7-2 <=> C5H11S-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (50.8, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (-5.10448, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(50.8,'cm^3/(mol*s)'), n=2.9, Ea=(-5.10448,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-CsCsH """, ) @@ -55775,18 +37160,11 @@ index = 2794, label = "HS + C2H4S <=> C2H5S2-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.18e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (-5.69024, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (700, 'K'), - ), + kinetics = Arrhenius(A=(1.18e+13,'cm^3/(mol*s)'), n=0, Ea=(-5.69024,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(700,'K')), rank = 10, - shortDesc = u"""AA calcs""", + shortDesc = """AA calcs""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;SsJ-H """, ) @@ -55795,18 +37173,11 @@ index = 2795, label = "CH2S2 + C3H7-2 <=> C4H9S2-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.95e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (17.5728, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.95e+11,'cm^3/(mol*s)'), n=0, Ea=(17.5728,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AA calcs""", + shortDesc = """AA calcs""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-SsH_Sd;CsJ-CsCsH """, ) @@ -55815,18 +37186,11 @@ index = 2796, label = "H + C2H4S2 <=> C2H5S2-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.62e+13, 'cm^3/(mol*s)'), - n = 0, - Ea = (20.7945, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.62e+13,'cm^3/(mol*s)'), n=0, Ea=(20.7945,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AA calcs""", + shortDesc = """AA calcs""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-SsCs_Sd;HJ """, ) @@ -55835,18 +37199,11 @@ index = 2797, label = "H + CS2 <=> CHS2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.02e+09, 'cm^3/(mol*s)'), - n = 1.34, - Ea = (29.1625, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(5.02e+09,'cm^3/(mol*s)'), n=1.34, Ea=(29.1625,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cdd-Sd_Sd;HJ """, ) @@ -55855,18 +37212,11 @@ index = 2798, label = "C2H5 + CS2 <=> C3H5S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (971000, 'cm^3/(mol*s)'), - n = 1.95, - Ea = (38.1162, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(971000,'cm^3/(mol*s)'), n=1.95, Ea=(38.1162,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cdd-Sd_Sd;CsJ-CsHH """, ) @@ -55875,18 +37225,11 @@ index = 2799, label = "H + C2H4OS <=> C2H5OS-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.54e+08, 'cm^3/(mol*s)'), - n = 1.24, - Ea = (-1.4644, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(5.54e+08,'cm^3/(mol*s)'), n=1.24, Ea=(-1.4644,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Sd_Cds-OsCs;HJ """, ) @@ -55895,18 +37238,11 @@ index = 2800, label = "HS + C3H6O-3 <=> C3H7OS-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (128000, 'cm^3/(mol*s)'), - n = 2.39, - Ea = (-12.9286, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(128000,'cm^3/(mol*s)'), n=2.39, Ea=(-12.9286,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""CAC calc CBS-QB3 1dhr""", + shortDesc = """CAC calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Cds-CsH;SsJ-H """, ) @@ -55915,18 +37251,11 @@ index = 2801, label = "C2H4 + O <=> C2H4O-3", degeneracy = 2.0, - kinetics = Arrhenius( - A = (8.84e+07, 'cm^3/(mol*s)'), - n = 1.55, - Ea = (-2.9288, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.84e+07,'cm^3/(mol*s)'), n=1.55, Ea=(-2.9288,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;O_atom_triplet """, ) @@ -55935,18 +37264,11 @@ index = 2802, label = "H + C2H4OS-2 <=> C2H5OS-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.01e+09, 'cm^3/(mol*s)'), - n = 1.21, - Ea = (-5.27184, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2.01e+09,'cm^3/(mol*s)'), n=1.21, Ea=(-5.27184,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""CAC calc CCSD(T)-F12a/vtz-F12 1dhr""", + shortDesc = """CAC calc CCSD(T)-F12a/vtz-F12 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsCs_Sd;HJ """, ) @@ -55955,18 +37277,11 @@ index = 2803, label = "propene_2 + O <=> C3H6O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.17e+07, 'cm^3/(mol*s)'), - n = 1.64, - Ea = (-5.8576, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(4.17e+07,'cm^3/(mol*s)'), n=1.64, Ea=(-5.8576,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;O_atom_triplet """, ) @@ -55975,18 +37290,11 @@ index = 2804, label = "C2H4S-3 + C2H3S <=> C4H7S2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.46, 'cm^3/(mol*s)'), - n = 3.08, - Ea = (-27.0705, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(9.46,'cm^3/(mol*s)'), n=3.08, Ea=(-27.0705,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 10, - shortDesc = u"""CAC calc CBS-QB3, HO approx""", + shortDesc = """CAC calc CBS-QB3, HO approx""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-SsH_Cds;SsJ-Cd """, ) @@ -55995,18 +37303,11 @@ index = 2805, label = "C4H7-2 + C2H4S <=> C6H11S", degeneracy = 1.0, - kinetics = Arrhenius( - A = (288, 'cm^3/(mol*s)'), - n = 2.55, - Ea = (24.309, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(288,'cm^3/(mol*s)'), n=2.55, Ea=(24.309,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""CAC CBS-QB3, 1dhr""", + shortDesc = """CAC CBS-QB3, 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Sd;CsJ-CdCsH """, ) @@ -56015,18 +37316,11 @@ index = 2806, label = "propene_1 + O <=> C3H6O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.06e+08, 'cm^3/(mol*s)'), - n = 1.58, - Ea = (-8.368, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.06e+08,'cm^3/(mol*s)'), n=1.58, Ea=(-8.368,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;O_atom_triplet """, ) @@ -56035,18 +37329,11 @@ index = 2807, label = "C2H4 + O2 <=> C2H4O2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (444, 'cm^3/(mol*s)'), - n = 2.9, - Ea = (132.214, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(444,'cm^3/(mol*s)'), n=2.9, Ea=(132.214,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-HH;O2b """, ) @@ -56055,18 +37342,11 @@ index = 2808, label = "propene_2 + O2 <=> C3H6O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (88.4, 'cm^3/(mol*s)'), - n = 3.08, - Ea = (126.357, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(88.4,'cm^3/(mol*s)'), n=3.08, Ea=(126.357,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-HH;O2b """, ) @@ -56075,18 +37355,11 @@ index = 2809, label = "propene_1 + O2 <=> C3H6O2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (552, 'cm^3/(mol*s)'), - n = 2.78, - Ea = (124.683, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(552,'cm^3/(mol*s)'), n=2.78, Ea=(124.683,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CsH;O2b """, ) @@ -56095,18 +37368,11 @@ index = 2810, label = "C4H6 + O2 <=> C4H6O2", degeneracy = 4.0, - kinetics = Arrhenius( - A = (520, 'cm^3/(mol*s)'), - n = 3.01, - Ea = (98.7424, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(520,'cm^3/(mol*s)'), n=3.01, Ea=(98.7424,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-CdH;O2b """, ) @@ -56115,18 +37381,11 @@ index = 2811, label = "H + C2H3O-6 <=> C2H4O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.5e+06, 'cm^3/(mol*s)'), - n = 1.86, - Ea = (27.6144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.5e+06,'cm^3/(mol*s)'), n=1.86, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OJH_Cds-HH;HJ """, ) @@ -56135,18 +37394,11 @@ index = 2812, label = "H + C3H5O-9 <=> C3H6O-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.08e+07, 'cm^3/(mol*s)'), - n = 1.84, - Ea = (30.9616, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.08e+07,'cm^3/(mol*s)'), n=1.84, Ea=(30.9616,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OJH_Cds-CsH;HJ """, ) @@ -56155,18 +37407,11 @@ index = 2813, label = "CH3 + C2H3O-6 <=> C3H6O-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (335, 'cm^3/(mol*s)'), - n = 2.68, - Ea = (40.1664, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(335,'cm^3/(mol*s)'), n=2.68, Ea=(40.1664,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 10, - shortDesc = u"""AG Vandeputte, BMK/cbsb7""", + shortDesc = """AG Vandeputte, BMK/cbsb7""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OJH_Cds-HH;CsJ-HHH """, ) @@ -56175,18 +37420,11 @@ index = 2814, label = "H + propene_1 <=> C3H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.84e+09, 'cm^3/(mol*s)'), - n = 1.553, - Ea = (6.56888, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.84e+09,'cm^3/(mol*s)'), n=1.553, Ea=(6.56888,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""CCSD(T)/cc-pVTZ""", + shortDesc = """CCSD(T)/cc-pVTZ""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\H3/H;HJ """, ) @@ -56195,18 +37433,11 @@ index = 2815, label = "CH3O-2 + propene_1 <=> C4H9O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2550, 'cm^3/(mol*s)'), - n = 2.562, - Ea = (21.0874, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2550,'cm^3/(mol*s)'), n=2.562, Ea=(21.0874,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, - shortDesc = u"""same as 3108""", + shortDesc = """same as 3108""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\H3/H;CsJ-OsHH """, ) @@ -56215,18 +37446,11 @@ index = 2816, label = "H + C2H4O-2 <=> C2H5O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.67e+12, 'cm^3/(mol*s)'), - n = 0.1, - Ea = (6.4601, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(6.67e+12,'cm^3/(mol*s)'), n=0.1, Ea=(6.4601,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", + shortDesc = """ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-OsH;HJ """, ) @@ -56235,18 +37459,11 @@ index = 2817, label = "CH2O + CH3 <=> C2H5O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (216, 'cm^3/(mol*s)'), - n = 2.97, - Ea = (15.8992, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(216,'cm^3/(mol*s)'), n=2.97, Ea=(15.8992,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", + shortDesc = """ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: CO-HH_O;CsJ-HHH """, ) @@ -56255,18 +37472,11 @@ index = 2818, label = "H + C2H4O-5 <=> C2H5O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4e+09, 'cm^3/(mol*s)'), - n = 1.39, - Ea = (35.8862, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(4e+09,'cm^3/(mol*s)'), n=1.39, Ea=(35.8862,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 5, - shortDesc = u"""ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", + shortDesc = """ED calc RQCISD(T)/aug-cc-pVTZ with 1dHR""", longDesc = -u""" +""" Converted to training reaction from rate rule: Od_CO-CsH;HJ """, ) @@ -56275,18 +37485,11 @@ index = 2819, label = "OH + propene_1 <=> C3H7O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.31e+06, 'cm^3/(mol*s)'), - n = 1.76, - Ea = (-10.2508, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2.31e+06,'cm^3/(mol*s)'), n=1.76, Ea=(-10.2508,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\H3/H;OJ_pri """, ) @@ -56295,18 +37498,11 @@ index = 2820, label = "H + CH2O <=> CH3O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.31e+07, 'cm^3/(mol*s)'), - n = 1.8, - Ea = (16.736, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.31e+07,'cm^3/(mol*s)'), n=1.8, Ea=(16.736,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-HH_O;HJ @@ -56317,18 +37513,11 @@ index = 2821, label = "H + C3H6O-3 <=> C3H7O-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.182e+10, 'cm^3/(mol*s)'), - n = 0.859, - Ea = (6.76971, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(2.182e+10,'cm^3/(mol*s)'), n=0.859, Ea=(6.76971,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-OsH_Cds-CsH;HJ """, ) @@ -56337,18 +37526,11 @@ index = 2822, label = "H + C2H4O <=> C2H5O-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.76e+06, 'cm^3/(mol*s)'), - n = 1.99, - Ea = (24.6856, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(8.76e+06,'cm^3/(mol*s)'), n=1.99, Ea=(24.6856,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CsH_O;HJ @@ -56359,18 +37541,11 @@ index = 2823, label = "H + C3H6O-2 <=> C3H7O-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.014e+08, 'cm^3/(mol*s)'), - n = 1.733, - Ea = (3.17984, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(5.014e+08,'cm^3/(mol*s)'), n=1.733, Ea=(3.17984,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-Cs\O2s/H;HJ """, ) @@ -56379,18 +37554,11 @@ index = 2824, label = "H + C3H4O <=> C3H5O-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.5e+06, 'cm^3/(mol*s)'), - n = 2.16, - Ea = (19.2464, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.5e+06,'cm^3/(mol*s)'), n=2.16, Ea=(19.2464,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CdH_O;HJ @@ -56401,18 +37569,11 @@ index = 2825, label = "H + C3H6O-8 <=> C3H7O-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.72e+08, 'cm^3/(mol*s)'), - n = 1.477, - Ea = (6.73624, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(3.72e+08,'cm^3/(mol*s)'), n=1.477, Ea=(6.73624,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-CsH_Cds-OsH;HJ """, ) @@ -56421,18 +37582,11 @@ index = 2826, label = "H + C4H6O <=> C4H7O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.97e+07, 'cm^3/(mol*s)'), - n = 1.88, - Ea = (32.2168, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.97e+07,'cm^3/(mol*s)'), n=1.88, Ea=(32.2168,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CdCs_O;HJ @@ -56443,18 +37597,11 @@ index = 2827, label = "C2H4O-2 + CH3 <=> C3H7O-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (41670, 'cm^3/(mol*s)'), - n = 2.299, - Ea = (28.5767, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(41670,'cm^3/(mol*s)'), n=2.299, Ea=(28.5767,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-HH_Cds-OsH;CsJ-HHH """, ) @@ -56463,18 +37610,11 @@ index = 2828, label = "H + C3H2O <=> C3H3O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.99e+06, 'cm^3/(mol*s)'), - n = 2.12, - Ea = (20.0832, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.99e+06,'cm^3/(mol*s)'), n=2.12, Ea=(20.0832,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CtH_O;HJ @@ -56485,18 +37625,11 @@ index = 2829, label = "H + CH2O-2 <=> CH3O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (386700, 'cm^3/(mol*s)'), - n = 2.941, - Ea = (35.6477, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(386700,'cm^3/(mol*s)'), n=2.941, Ea=(35.6477,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 11, - shortDesc = u"""SSM calc CBS-QB3 1dhr, gave parent same value as one of the children""", + shortDesc = """SSM calc CBS-QB3 1dhr, gave parent same value as one of the children""", longDesc = -u""" +""" Converted to training reaction from rate rule: Od_CO;HJ """, ) @@ -56505,18 +37638,11 @@ index = 2830, label = "H + C4H4O <=> C4H5O", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.59e+07, 'cm^3/(mol*s)'), - n = 1.84, - Ea = (32.6352, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.59e+07,'cm^3/(mol*s)'), n=1.84, Ea=(32.6352,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: CO-CtCs_O;HJ @@ -56527,18 +37653,11 @@ index = 2831, label = "H + CH2O-2 <=> CH3O-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2330, 'cm^3/(mol*s)'), - n = 3.17, - Ea = (28.0328, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2330,'cm^3/(mol*s)'), n=3.17, Ea=(28.0328,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-HH;HJ @@ -56549,18 +37668,11 @@ index = 2832, label = "H + C3H6O-9 <=> C3H7O-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.73e+08, 'cm^3/(mol*s)'), - n = 1.583, - Ea = (7.57304, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (2000, 'K'), - ), + kinetics = Arrhenius(A=(1.73e+08,'cm^3/(mol*s)'), n=1.583, Ea=(7.57304,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K')), rank = 6, - shortDesc = u"""SSM calc CBS-QB3 1dhr""", + shortDesc = """SSM calc CBS-QB3 1dhr""", longDesc = -u""" +""" Converted to training reaction from rate rule: Cds-Cs\O2s/H_Cds-HH;HJ """, ) @@ -56569,18 +37681,11 @@ index = 2833, label = "H + C3H6O-10 <=> C3H7O-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32300, 'cm^3/(mol*s)'), - n = 2.98, - Ea = (33.0536, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(32300,'cm^3/(mol*s)'), n=2.98, Ea=(33.0536,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CsCs;HJ @@ -56591,18 +37696,11 @@ index = 2834, label = "H + C3H4O-2 <=> C3H5O-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (373000, 'cm^3/(mol*s)'), - n = 2.53, - Ea = (20.92, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(373000,'cm^3/(mol*s)'), n=2.53, Ea=(20.92,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CdH;HJ @@ -56613,18 +37711,11 @@ index = 2835, label = "H + C4H6O-2 <=> C4H7O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.39e+06, 'cm^3/(mol*s)'), - n = 2.09, - Ea = (25.5224, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(6.39e+06,'cm^3/(mol*s)'), n=2.09, Ea=(25.5224,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CdCs;HJ @@ -56635,18 +37726,11 @@ index = 2836, label = "H + C3H2O-2 <=> C3H3O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.07e+06, 'cm^3/(mol*s)'), - n = 2.43, - Ea = (22.5936, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.07e+06,'cm^3/(mol*s)'), n=2.43, Ea=(22.5936,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CtH;HJ @@ -56657,18 +37741,11 @@ index = 2837, label = "H + C4H4O-2 <=> C4H5O-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.83e+07, 'cm^3/(mol*s)'), - n = 1.99, - Ea = (27.6144, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.83e+07,'cm^3/(mol*s)'), n=1.99, Ea=(27.6144,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 6, - shortDesc = u"""Aaron Vandeputte, 1D-HR in transition state""", + shortDesc = """Aaron Vandeputte, 1D-HR in transition state""", longDesc = -u""" +""" AGV BMK/cbsb7 with 1dHR Converted to training reaction from rate rule: Od_CO-CtCs;HJ @@ -56679,18 +37756,11 @@ index = 2838, label = "C3H3-2 + C3H4 <=> C6H7-26", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.04, 'cm^3/(mol*s)'), - n = 3.05, - Ea = (54.8104, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.04,'cm^3/(mol*s)'), n=3.05, Ea=(54.8104,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 11, - shortDesc = u"""A.G. Vandeputte estimate. Equal to Cds-HH_Cds-HH;CdsJ=Cdd""", + shortDesc = """A.G. Vandeputte estimate. Equal to Cds-HH_Cds-HH;CdsJ=Cdd""", longDesc = -u""" +""" Converted to training reaction from rate rule: Ca_Cds-HH;CdsJ=Cdd """, ) @@ -56699,18 +37769,11 @@ index = 2839, label = "CH2 + N2 <=> CH2N2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.2e+32, 'cm^3/(mol*s)'), - n = -7.07, - Ea = (83.5545, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.2e+32,'cm^3/(mol*s)'), n=-7.07, Ea=(83.5545,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH2 + N2 = CH2NN (B&D #22a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3t_N3t;CH2_triplet @@ -56721,18 +37784,11 @@ index = 2840, label = "CH + N2 <=> CHN2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.6e+28, 'cm^3/(mol*s)'), - n = -5.84, - Ea = (10.9621, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(3.6e+28,'cm^3/(mol*s)'), n=-5.84, Ea=(10.9621,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: CH + N2 = HCNN (B&D #24a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Here CH is in its ground state (doublet), as specified in B&D p. 221: The initially formed adduct from CH+N2 is a doublet, and there's a surface crossing to eventually form HCN + N. @@ -56746,18 +37802,11 @@ index = 2841, label = "H + H2N2 <=> H3N2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.982e+35, 'cm^3/(mol*s)'), - n = -7.67, - Ea = (52.551, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(1.982e+35,'cm^3/(mol*s)'), n=-7.67, Ea=(52.551,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: N2H2 + H = N2H3 (B&D #31a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3d-H_N3d-H;HJ @@ -56768,18 +37817,11 @@ index = 2842, label = "OH + CHN <=> CH2NO", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.8e+30, 'cm^3/(mol*s)'), - n = -6.37, - Ea = (22.3426, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(2.8e+30,'cm^3/(mol*s)'), n=-6.37, Ea=(22.3426,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + OH = NCHOH (B&D #42b4) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: Ct-H_N3t;OJ_pri @@ -56790,18 +37832,11 @@ index = 2843, label = "H + CHN <=> CH2N", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.24e+29, 'cm^3/(mol*s)'), - n = -6.87, - Ea = (31.2126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.24e+29,'cm^3/(mol*s)'), n=-6.87, Ea=(31.2126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + H = H2CN (B&D #45a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: Ct-H_N3t;HJ @@ -56812,18 +37847,11 @@ index = 2844, label = "H + CHN-2 <=> CH2N-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.24e+29, 'cm^3/(mol*s)'), - n = -6.87, - Ea = (31.2126, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.24e+29,'cm^3/(mol*s)'), n=-6.87, Ea=(31.2126,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + H = HCNH (B&D #46) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3t_Ct-H;HJ @@ -56834,18 +37862,11 @@ index = 2845, label = "H + CH3N <=> CH4N", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.32e+29, 'cm^3/(mol*s)'), - n = -6.51, - Ea = (34.769, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(7.32e+29,'cm^3/(mol*s)'), n=-6.51, Ea=(34.769,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CNH + H = CH3NH (B&D #49a) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: Cds-HH_N3d;HJ @@ -56856,18 +37877,11 @@ index = 2846, label = "H + CH2NH <=> CH2NH2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.86e+36, 'cm^3/(mol*s)'), - n = -8.41, - Ea = (52.049, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.86e+36,'cm^3/(mol*s)'), n=-8.41, Ea=(52.049,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: H2CNH + H = CH2NH2 (B&D #50) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3d-H_Cds-HH;HJ @@ -56878,18 +37892,11 @@ index = 2847, label = "CHN-2 + O <=> CHNO", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.99e+25, 'cm^3/(mol*s)'), - n = -5.73, - Ea = (61.463, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (300, 'K'), - Tmax = (1500, 'K'), - ), + kinetics = Arrhenius(A=(9.99e+25,'cm^3/(mol*s)'), n=-5.73, Ea=(61.463,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1500,'K')), rank = 2, - shortDesc = u"""Added by Beat Buesser""", + shortDesc = """Added by Beat Buesser""", longDesc = -u""" +""" Added by Beat Buesser, value for reaction: HCN + O = HCNO (B&D #54) in 'Gas-Phase Combustion Chemistry' (ISBN: 978-1-4612-7088-1), chapter 2, 'Combustion Chemistry of Nitrogen', Anthony M. Dean, Joseph W. Bozzelli", Converted to training reaction from rate rule: N3t_Ct-H;O_atom_triplet @@ -56900,16 +37907,11 @@ index = 2848, label = "C7H8-27 + CH3 <=> C8H11-67", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3356.39, 'cm^3/(mol*s)'), - n = 2.32609, - Ea = (41.1979, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3356.39,'cm^3/(mol*s)'), n=2.32609, Ea=(41.1979,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC1[CH]C(C)C=CC=1 @@ -56922,16 +37924,11 @@ index = 2849, label = "C7H8-13 + CH3 <=> C8H11-68", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3383.86, 'cm^3/(mol*s)'), - n = 2.311, - Ea = (37.9756, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3383.86,'cm^3/(mol*s)'), n=2.311, Ea=(37.9756,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC1=CC=C[CH]C1C @@ -56944,16 +37941,11 @@ index = 2850, label = "C7H8-29 + CH3 <=> C8H11-69", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3945.69, 'cm^3/(mol*s)'), - n = 2.31104, - Ea = (41.6199, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3945.69,'cm^3/(mol*s)'), n=2.31104, Ea=(41.6199,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC1C=CC(C)[CH]C=1 @@ -56966,16 +37958,11 @@ index = 2851, label = "C7H8-5 + CH3 <=> C8H11-70", degeneracy = 1.0, - kinetics = Arrhenius( - A = (144.44, 'cm^3/(mol*s)'), - n = 2.6469, - Ea = (43.8158, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(144.44,'cm^3/(mol*s)'), n=2.6469, Ea=(43.8158,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors (3 total) included in B3LYP/CBSB7 level Toluene + CH3 --> CC(C)1C=CC=C[CH]1 @@ -56983,16 +37970,12 @@ More information can be found on pharos/home/laitcl/Gaussian/2017/Aromatic Pi Radicals """, ) + entry( index = 2852, label = "C4H3O2 + C2H2 <=> C6H5O2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2046, 'cm^3/(mol*s)'), - n = 2.607, - Ea = (15.619, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2046,'cm^3/(mol*s)'), n=2.607, Ea=(15.619,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['I. V. Tokmakov', 'G. Kim', 'V. V. Kislov', 'A. M. Mebel', 'M. C. Lin'], title = 'The Reaction of Phenyl Radical with Molecular Oxygen: A G2M Study of the Potential Energy Surface', @@ -57004,7 +37987,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" Using CanTherm to calculate TST rates from the PES at the G2M(MP2)//B3LYP/6-311++G** level of theory The rates have been validated by the rates reported in Proceedings of the Combustion Institute 35 (2015) 1861–1869, where only 1500, 2000, 2500 K rates were reported. @@ -57015,12 +37998,7 @@ index = 2853, label = "H + C6H4O2 <=> C6H5O2-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.233e+09, 'cm^3/(mol*s)'), - n = 1.533, - Ea = (1.239, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.233e+09,'cm^3/(mol*s)'), n=1.533, Ea=(1.239,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['I. V. Tokmakov', 'G. Kim', 'V. V. Kislov', 'A. M. Mebel', 'M. C. Lin'], title = 'The Reaction of Phenyl Radical with Molecular Oxygen: A G2M Study of the Potential Energy Surface', @@ -57032,7 +38010,7 @@ referenceType = "theory", rank = 5, longDesc = -u""" +""" Using CanTherm to calculate TST rates from the PES at the G2M(MP2)//B3LYP/6-311++G** level of theory The rates have been validated by the rates reported in Proceedings of the Combustion Institute 35 (2015) 1861–1869, where only 1500, 2000, 2500 K rates were reported. @@ -57043,12 +38021,7 @@ index = 2854, label = "C3H3 + C4H2 <=> C7H5", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1.67e-18, 'cm^3/(molecule*s)'), - n = 1.997, - Ea = (7.78, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.67e-18,'cm^3/(molecule*s)'), n=1.997, Ea=(7.78,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57057,10 +38030,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57071,12 +38044,7 @@ index = 2855, label = "H + C7H4-2 <=> C7H5-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.13e-15, 'cm^3/(molecule*s)'), - n = 1.462, - Ea = (0.94, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.13e-15,'cm^3/(molecule*s)'), n=1.462, Ea=(0.94,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57085,10 +38053,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57099,12 +38067,7 @@ index = 2856, label = "C3H3-2 + C4H2 <=> C7H5-6", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3e-18, 'cm^3/(molecule*s)'), - n = 1.925, - Ea = (10.06, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3e-18,'cm^3/(molecule*s)'), n=1.925, Ea=(10.06,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57113,10 +38076,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57127,12 +38090,7 @@ index = 2857, label = "H + C7H4-3 <=> C7H5-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.02e-15, 'cm^3/(molecule*s)'), - n = 1.464, - Ea = (1.34, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.02e-15,'cm^3/(molecule*s)'), n=1.464, Ea=(1.34,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57141,10 +38099,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57155,12 +38113,7 @@ index = 2858, label = "H + C7H4-4 <=> C7H5-8", degeneracy = 3.0, - kinetics = Arrhenius( - A = (4.32e-15, 'cm^3/(molecule*s)'), - n = 1.415, - Ea = (3.09, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.32e-15,'cm^3/(molecule*s)'), n=1.415, Ea=(3.09,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57169,10 +38122,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57183,12 +38136,7 @@ index = 2859, label = "H + C7H4-5 <=> C7H5-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.05e-15, 'cm^3/(molecule*s)'), - n = 1.43, - Ea = (2.42, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.05e-15,'cm^3/(molecule*s)'), n=1.43, Ea=(2.42,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57197,10 +38145,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57211,12 +38159,7 @@ index = 2860, label = "C5H3 + C2H2 <=> C7H5-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (2.56e-18, 'cm^3/(molecule*s)'), - n = 1.906, - Ea = (14.54, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.56e-18,'cm^3/(molecule*s)'), n=1.906, Ea=(14.54,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57225,10 +38168,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57239,12 +38182,7 @@ index = 2861, label = "C5H3-2 + C2H2 <=> C7H5-11", degeneracy = 4.0, - kinetics = Arrhenius( - A = (4.12e-18, 'cm^3/(molecule*s)'), - n = 1.929, - Ea = (16.01, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.12e-18,'cm^3/(molecule*s)'), n=1.929, Ea=(16.01,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57253,10 +38191,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57267,12 +38205,7 @@ index = 2862, label = "H + C7H4-6 <=> C7H5-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.41e-15, 'cm^3/(molecule*s)'), - n = 1.431, - Ea = (3.42, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.41e-15,'cm^3/(molecule*s)'), n=1.431, Ea=(3.42,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57281,10 +38214,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57295,12 +38228,7 @@ index = 2863, label = "H + C7H4-7 <=> C7H5-13", degeneracy = 2.0, - kinetics = Arrhenius( - A = (4.48e-15, 'cm^3/(molecule*s)'), - n = 1.432, - Ea = (2.76, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.48e-15,'cm^3/(molecule*s)'), n=1.432, Ea=(2.76,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57309,10 +38237,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57323,12 +38251,7 @@ index = 2864, label = "C5H3-3 + C2H2 <=> C7H5-14", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.98e-18, 'cm^3/(molecule*s)'), - n = 1.935, - Ea = (20.73, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.98e-18,'cm^3/(molecule*s)'), n=1.935, Ea=(20.73,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57337,10 +38260,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57351,12 +38274,7 @@ index = 2865, label = "C5H3-4 + C2H2 <=> C7H5-15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (7.28e-18, 'cm^3/(molecule*s)'), - n = 1.851, - Ea = (15.71, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.28e-18,'cm^3/(molecule*s)'), n=1.851, Ea=(15.71,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57365,10 +38283,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57379,12 +38297,7 @@ index = 2866, label = "C5H3-5 + C2H2 <=> C7H5-16", degeneracy = 2.0, - kinetics = Arrhenius( - A = (3.97e-18, 'cm^3/(molecule*s)'), - n = 1.905, - Ea = (11.71, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.97e-18,'cm^3/(molecule*s)'), n=1.905, Ea=(11.71,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57393,10 +38306,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57407,12 +38320,7 @@ index = 2867, label = "H + C7H4-8 <=> C7H5-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.84e-15, 'cm^3/(molecule*s)'), - n = 1.405, - Ea = (3.11, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.84e-15,'cm^3/(molecule*s)'), n=1.405, Ea=(3.11,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ['Gabriel da Silva', 'Adam J. Trevittb'], title = 'Chemically activated reactions on the C7H5 energy surface: propargyl+diacetylene, i-C5H3+acetylene, and n-C5H3+acetylene', @@ -57421,10 +38329,10 @@ pages = '8940-8952', year = '2011', ), - referenceType = "theory", + referenceType = "theory", rank = 5, longDesc = -u""" +""" All species reported here are studied using the G3SX composite theoretical methodology. This method uses B3LYP/6-31G(2df,p) optimized geometries, vibrational frequencies and scaled zero point energies, with higher-level wavefunction theory calculations for accurate energies (along with empirical scaling corrections). 1D-Hinder rotor is considered. @@ -57435,18 +38343,11 @@ index = 2868, label = "C12H16-1 + H <=> C12H17-63", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.11555e+07, 'cm^3/(mol*s)'), - n = 1.68908, - Ea = (2.8054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.11555e+07,'cm^3/(mol*s)'), n=1.68908, Ea=(2.8054,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethyltetralin + H <=> EthyltetralinRad Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57458,18 +38359,11 @@ index = 2869, label = "C12H16-2 + H <=> C12H17-64", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.05357e+08, 'cm^3/(mol*s)'), - n = 1.45722, - Ea = (22.2904, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.05357e+08,'cm^3/(mol*s)'), n=1.45722, Ea=(22.2904,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Propylindane + H <=> PropylindaneRad Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57481,18 +38375,11 @@ index = 2870, label = "C12H14-3 + H <=> C12H15-74", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.11555e+07, 'cm^3/(mol*s)'), - n = 1.68908, - Ea = (2.8054, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(8.11555e+07,'cm^3/(mol*s)'), n=1.68908, Ea=(2.8054,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for PropylindeneFar + HRad <=> PropylindeneRadFar Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57504,18 +38391,11 @@ index = 2871, label = "C12H14-4 + H <=> C12H15-75", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.49151e+09, 'cm^3/(mol*s)'), - n = 1.41481, - Ea = (8.0185, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.49151e+09,'cm^3/(mol*s)'), n=1.41481, Ea=(8.0185,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for EthylDihydronaphthaleneFar + HRad <=> EthylDihydronaphthaleneRadFar Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57527,18 +38407,11 @@ index = 2872, label = "C12H14-5 + H <=> C12H15-76", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.09054e+09, 'cm^3/(mol*s)'), - n = 1.09894, - Ea = (14.5058, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(1.09054e+09,'cm^3/(mol*s)'), n=1.09894, Ea=(14.5058,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for EthylDihydronaphthaleneNear + HRad <=> EthylDihydronaphthaleneRadNear Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57550,18 +38423,11 @@ index = 2873, label = "C12H12-5 + H <=> C12H13-53", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.15411e+09, 'cm^3/(mol*s)'), - n = 1.29523, - Ea = (13.7245, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(5.15411e+09,'cm^3/(mol*s)'), n=1.29523, Ea=(13.7245,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadFar Level of Theory: CBS-QB3 @@ -57573,18 +38439,11 @@ index = 2874, label = "C12H12-6 + H <=> C12H13-54", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.74269e+09, 'cm^3/(mol*s)'), - n = 1.2919, - Ea = (18.5634, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(4.74269e+09,'cm^3/(mol*s)'), n=1.2919, Ea=(18.5634,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadFar2 Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57596,18 +38455,11 @@ index = 2875, label = "C12H12-7 + H <=> C12H13-55", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.30484e+08, 'cm^3/(mol*s)'), - n = 1.57158, - Ea = (16.2141, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(3.30484e+08,'cm^3/(mol*s)'), n=1.57158, Ea=(16.2141,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadNear Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57619,18 +38471,11 @@ index = 2876, label = "C12H12-8 + H <=> C12H13-56", degeneracy = 1.0, - kinetics = Arrhenius( - A = (9.84923e+08, 'cm^3/(mol*s)'), - n = 1.49476, - Ea = (14.68, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + kinetics = Arrhenius(A=(9.84923e+08,'cm^3/(mol*s)'), n=1.49476, Ea=(14.68,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"""Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", + shortDesc = """Calculation performed by Lawrence Lai, March 2018, CBS-QB3 level of theory""", longDesc = -u""" +""" Training reaction from kinetics library: Lai_Hexylbenzene Calculation for Ethylnaphthalene + HRad <=> EthylnaphthaleneRadNear2 Level of Theory: CBS-QB3, 1-D Rotors in B3LYP/CBSB7 @@ -57642,16 +38487,11 @@ index = 2877, label = "C7H8-27 + C2H5 <=> C9H13-76", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1781.88, 'cm^3/(mol*s)'), - n = 2.58533, - Ea = (34.9048, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1781.88,'cm^3/(mol*s)'), n=2.58533, Ea=(34.9048,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1[CH]C(C)=CC=C1 @@ -57664,16 +38504,11 @@ index = 2878, label = "C7H8-13 + C2H5 <=> C9H13-77", degeneracy = 2.0, - kinetics = Arrhenius( - A = (1048.1, 'cm^3/(mol*s)'), - n = 2.63245, - Ea = (32.101, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1048.1,'cm^3/(mol*s)'), n=2.63245, Ea=(32.101,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1[CH]C=CC=C1C @@ -57686,16 +38521,11 @@ index = 2879, label = "C7H8-29 + C2H5 <=> C9H13-78", degeneracy = 1.0, - kinetics = Arrhenius( - A = (565.91, 'cm^3/(mol*s)'), - n = 2.65082, - Ea = (38.2927, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(565.91,'cm^3/(mol*s)'), n=2.65082, Ea=(38.2927,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1[CH]C=C(C)C=C1 @@ -57708,16 +38538,11 @@ index = 2880, label = "C7H8-5 + C2H5 <=> C9H13-79", degeneracy = 1.0, - kinetics = Arrhenius( - A = (22.0765, 'cm^3/(mol*s)'), - n = 2.98911, - Ea = (37.4992, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(22.0765,'cm^3/(mol*s)'), n=2.98911, Ea=(37.4992,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + C2H5 --> CCC1(C)[CH]C=CC=C1 @@ -57730,16 +38555,11 @@ index = 2881, label = "C7H8-27 + C7H7-3 <=> C14H15-40", degeneracy = 2.0, - kinetics = Arrhenius( - A = (333.522, 'cm^3/(mol*s)'), - n = 2.81143, - Ea = (52.4195, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(333.522,'cm^3/(mol*s)'), n=2.81143, Ea=(52.4195,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1[CH]C(C=CC=1)Cc1ccccc1 @@ -57752,16 +38572,11 @@ index = 2882, label = "C7H8-13 + C7H7-3 <=> C14H15-41", degeneracy = 2.0, - kinetics = Arrhenius( - A = (75.2016, 'cm^3/(mol*s)'), - n = 2.87538, - Ea = (47.3967, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(75.2016,'cm^3/(mol*s)'), n=2.87538, Ea=(47.3967,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1=CC=C[CH]C1Cc1ccccc1 @@ -57774,16 +38589,11 @@ index = 2883, label = "C7H8-29 + C7H7-3 <=> C14H15-42", degeneracy = 1.0, - kinetics = Arrhenius( - A = (203.185, 'cm^3/(mol*s)'), - n = 2.7789, - Ea = (51.957, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(203.185,'cm^3/(mol*s)'), n=2.7789, Ea=(51.957,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1C=CC([CH]C=1)Cc1ccccc1 @@ -57796,16 +38606,11 @@ index = 2884, label = "C7H8-5 + C7H7-3 <=> C14H15-43", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.0143, 'cm^3/(mol*s)'), - n = 3.28044, - Ea = (49.7678, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.0143,'cm^3/(mol*s)'), n=3.28044, Ea=(49.7678,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Benzyl --> CC1([CH]C=CC=C1)Cc1ccccc1 @@ -57818,16 +38623,11 @@ index = 2885, label = "C7H8-27 + C8H9 <=> C15H17-45", degeneracy = 2.0, - kinetics = Arrhenius( - A = (6.36177, 'cm^3/(mol*s)'), - n = 3.21235, - Ea = (47.2354, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.36177,'cm^3/(mol*s)'), n=3.21235, Ea=(47.2354,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC1=CC=C[CH]C1C(C)c1ccccc1 @@ -57840,16 +38640,11 @@ index = 2886, label = "C7H8-13 + C8H9 <=> C15H17-46", degeneracy = 2.0, - kinetics = Arrhenius( - A = (9.9686, 'cm^3/(mol*s)'), - n = 3.05153, - Ea = (47.5686, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(9.9686,'cm^3/(mol*s)'), n=3.05153, Ea=(47.5686,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC1[CH]C(C=CC=1)C(C)c1ccccc1 @@ -57862,16 +38657,11 @@ index = 2887, label = "C7H8-29 + C8H9 <=> C15H17-47", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.8336, 'cm^3/(mol*s)'), - n = 3.1834, - Ea = (47.5562, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.8336,'cm^3/(mol*s)'), n=3.1834, Ea=(47.5562,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC1C=CC([CH]C=1)C(C)c1ccccc1 @@ -57884,16 +38674,11 @@ index = 2888, label = "C7H8-5 + C8H9 <=> C15H17-48", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.0289968, 'cm^3/(mol*s)'), - n = 3.67504, - Ea = (50.8048, 'kJ/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(0.0289968,'cm^3/(mol*s)'), n=3.67504, Ea=(50.8048,'kJ/mol'), T0=(1,'K')), rank = 5, - shortDesc = u"""Training reaction, kinetics calculated by Lawrence Lai""", + shortDesc = """Training reaction, kinetics calculated by Lawrence Lai""", longDesc = -u""" +""" Training reaction, kinetics calculated by Lawrence Lai under the CBS-QB3 level of theory, 2017 All hindered rotors included in B3LYP/CBSB7 level Toluene + Ethylbenzyl --> CC(c1ccccc1)C1(C)[CH]C=CC=C1 @@ -57905,15 +38690,8 @@ entry( index = 2889, label = "C6H5 + C8H10-7 <=> C14H15-44", - degeneracy = 1, - kinetics = Arrhenius( - A = (7.05685, 'cm^3/(mol*s)'), - n = 3.09388, - Ea = (8.15269, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.05685,'cm^3/(mol*s)'), n=3.09388, Ea=(8.15269,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Lawrence Lai', 'Hao-Wei Pang', 'William H. Green'], title = 'Formation of 2-Ring Aromatics in Hexylbenzene Pyrolysis', @@ -57922,9 +38700,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory", + shortDesc = """Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory""", longDesc = -u""" +""" Location of calculations Pharos/home/laitcl/Gaussian/2019/ Calculations performed in CBS-QB3 level of theory, with 1-D hindered rotors included in B3LYP/CBSB7 level Reaction: C1=CC=CC=[C]1 (Phenyl Radical) + CCC1C=CC=CC=1 (Ethylbenzene) <=> C1=CC=C(C=C1)C(CC)1C=CC=C[CH]1 @@ -57934,15 +38712,8 @@ entry( index = 2890, label = "C2H5 + C12H10-3 <=> C14H15-55", - degeneracy = 2, - kinetics = Arrhenius( - A = (103.514, 'cm^3/(mol*s)'), - n = 2.90893, - Ea = (44.9425, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + degeneracy = 2.0, + kinetics = Arrhenius(A=(103.514,'cm^3/(mol*s)'), n=2.90893, Ea=(44.9425,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), reference = Article( authors = ['Lawrence Lai', 'Hao-Wei Pang', 'William H. Green'], title = 'Formation of 2-Ring Aromatics in Hexylbenzene Pyrolysis', @@ -57951,9 +38722,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory", + shortDesc = """Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory""", longDesc = -u""" +""" Location of calculations Pharos/home/laitcl/Gaussian/2019/ Calculations performed in CBS-QB3 level of theory, with 1-D hindered rotors included in B3LYP/CBSB7 level Reaction: C[CH2] (Ethyl Radical) + C1=CC=C(C=C1)C1C=CC=CC=1 (Biphenyl) <=> C1=CC=C(C=C1)C(CC)1C=CC=C[CH]1 @@ -57963,19 +38734,12 @@ entry( index = 2891, label = "C6H6-2 + CH3 <=> C7H9-72", - degeneracy = 6, - kinetics = Arrhenius( - A = (126531, 'cm^3/(mol*s)'), - n = 2.32659, - Ea = (42.0038, 'kJ/mol'), - T0 = (1, 'K'), - Tmin = (303.03, 'K'), - Tmax = (2500, 'K'), - ), + degeneracy = 6.0, + kinetics = Arrhenius(A=(126531,'cm^3/(mol*s)'), n=2.32659, Ea=(42.0038,'kJ/mol'), T0=(1,'K'), Tmin=(303.03,'K'), Tmax=(2500,'K')), rank = 5, - shortDesc = u"Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory", + shortDesc = """Calculation performed by Lawrence Lai, 2019, CBS-QB3 level of theory""", longDesc = -u""" +""" Location of calculations Pharos/home/laitcl/Gaussian/2019/ Calculations performed in CBS-QB3 level of theory, with 1-D hindered rotors included in B3LYP/CBSB7 level Reaction: Benzene + Methyl Radical <=> CC1[CH]C=CC=C1 @@ -57986,10 +38750,9 @@ index = 2892, label = "CH3O-2 + CHN <=> OCCdNj_p", degeneracy = 1.0, - kinetics = Arrhenius(A=(3331.77,'cm^3/(mol*s)'), n=2.51948, Ea=(25.3754,'kJ/mol'), - T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), + kinetics = Arrhenius(A=(3331.77,'cm^3/(mol*s)'), n=2.51948, Ea=(25.3754,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, - longDesc = + longDesc = """ Computed by Alon Grinberg Dana using ARC v1.1.0 (TS guess generated manually) @@ -58013,10 +38776,9 @@ index = 2893, label = "CH3O-2 + CHN-2 <=> OCNdCj_p", degeneracy = 1.0, - kinetics = Arrhenius(A=(1834.29,'cm^3/(mol*s)'), n=2.57866, Ea=(62.0185,'kJ/mol'), - T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), + kinetics = Arrhenius(A=(1834.29,'cm^3/(mol*s)'), n=2.57866, Ea=(62.0185,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(3000,'K')), rank = 4, - longDesc = + longDesc = """ Computed by Alon Grinberg Dana using ARC v1.1.0 (TS guess generated manually) @@ -58041,12 +38803,7 @@ index = 2894, label = "C22H13 + C2H2 <=> C24H15", degeneracy = 2.0, - kinetics = Arrhenius( - A = (426900, 'cm^3/(mol*s)'), - n = 2.28, - Ea = (1.214, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(426900,'cm^3/(mol*s)'), n=2.28, Ea=(1.214,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -58057,9 +38814,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: R1 + C2H2 <=> W1 @@ -58070,12 +38827,7 @@ index = 2895, label = "H + C24H14 <=> C24H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.547e+09, 'cm^3/(mol*s)'), - n = 1.439, - Ea = (5.682, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.547e+09,'cm^3/(mol*s)'), n=1.439, Ea=(5.682,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -58086,9 +38838,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: Pentacyl-C2H + H <=> W1 @@ -58099,15 +38851,10 @@ index = 2896, label = "C14H9 + C2H2 <=> C16H11", degeneracy = 2.0, - kinetics = Arrhenius( - A = (74980, 'cm^3/(mol*s)'), - n = 2.362, - Ea = (4.389, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(74980,'cm^3/(mol*s)'), n=2.362, Ea=(4.389,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: R1 + C2H2 <=> W1 """, @@ -58117,15 +38864,10 @@ index = 2897, label = "H + C16H10 <=> C16H11-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.088e+09, 'cm^3/(mol*s)'), - n = 1.419, - Ea = (5.862, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.088e+09,'cm^3/(mol*s)'), n=1.419, Ea=(5.862,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Phenanthryl-C2H + H <=> W1 """, @@ -58135,15 +38877,10 @@ index = 2898, label = "H + C16H10-2 <=> C16H11-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.034e+08, 'cm^3/(mol*s)'), - n = 1.546, - Ea = (3.446, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.034e+08,'cm^3/(mol*s)'), n=1.546, Ea=(3.446,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Phenanthryl-C2H + H <=> W3 """, @@ -58153,15 +38890,10 @@ index = 2899, label = "H + C16H10-3 <=> C16H11-4", degeneracy = 4.0, - kinetics = Arrhenius( - A = (3.732e+08, 'cm^3/(mol*s)'), - n = 1.656, - Ea = (8.022, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.732e+08,'cm^3/(mol*s)'), n=1.656, Ea=(8.022,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Pyrene + H <=> W2 """, @@ -58171,15 +38903,10 @@ index = 2900, label = "H + C16H10-4 <=> C16H11-5", degeneracy = 4.0, - kinetics = Arrhenius( - A = (2.016e+09, 'cm^3/(mol*s)'), - n = 1.538, - Ea = (3.436, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.016e+09,'cm^3/(mol*s)'), n=1.538, Ea=(3.436,'kcal/mol'), T0=(1,'K')), rank = 5, longDesc = -u""" +""" Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Phenanthryl Original entry: Pyrene + H <=> W5 """, @@ -58189,21 +38916,14 @@ index = 2901, label = "C6H5 + C6H6-2 <=> C12H11-16", degeneracy = 6.0, - kinetics = Arrhenius( - A = (9.55e+11, 'cm^3/(mol*s)'), - n = 0, - Ea = (2.52, 'kcal/mol'), - T0 = (1, 'K'), - Tmin = (298, 'K'), - Tmax = (1330, 'K'), - ), + kinetics = Arrhenius(A=(9.55e+11,'cm^3/(mol*s)'), n=0, Ea=(2.52,'kcal/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(1330,'K')), rank = 3, - shortDesc = u"""Fitted to experimental data for phenyl + benzene""", + shortDesc = """Fitted to experimental data for phenyl + benzene""", longDesc = -u""" +""" Park, J.; Burova, S.; Rodgers, A. S.; Lin, M. C. Experimental and Theoretical Studies of the C6H5 + C6H6 Reaction. -J. Phys. Chem. A 1999, 103 (45), 9036–9041. +J. Phys. Chem. A 1999, 103 (45), 9036–9041. """, ) @@ -58211,14 +38931,9 @@ index = 2902, label = "CH3 + C2H4 <=> C3H7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (861, 'cm^3/(mol*s)'), - n = 2.988, - Ea = (7.238, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(861,'cm^3/(mol*s)'), n=2.988, Ea=(7.238,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58227,7 +38942,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58236,14 +38951,9 @@ index = 2903, label = "C2H5 + C2H4 <=> C4H9-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (36.28, 'cm^3/(mol*s)'), - n = 2.997, - Ea = (6.866, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(36.28,'cm^3/(mol*s)'), n=2.997, Ea=(6.866,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58252,7 +38962,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58261,14 +38971,9 @@ index = 2904, label = "C3H7-5 + C2H4 <=> C5H11-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (20.13, 'cm^3/(mol*s)'), - n = 3.003, - Ea = (6.486, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(20.13,'cm^3/(mol*s)'), n=3.003, Ea=(6.486,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58277,7 +38982,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58286,14 +38991,9 @@ index = 2905, label = "C4H9-1 + C2H4 <=> C6H13-10", degeneracy = 2.0, - kinetics = Arrhenius( - A = (27.08, 'cm^3/(mol*s)'), - n = 2.995, - Ea = (6.503, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(27.08,'cm^3/(mol*s)'), n=2.995, Ea=(6.503,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58302,7 +39002,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58311,14 +39011,9 @@ index = 2906, label = "C5H11-10 + C2H4 <=> C7H15-9", degeneracy = 2.0, - kinetics = Arrhenius( - A = (25.8, 'cm^3/(mol*s)'), - n = 3.014, - Ea = (6.441, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(25.8,'cm^3/(mol*s)'), n=3.014, Ea=(6.441,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58327,22 +39022,18 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) + entry( index = 2907, label = "C6H13-11 + C2H4 <=> C8H17-7", degeneracy = 2.0, - kinetics = Arrhenius( - A = (19.35, 'cm^3/(mol*s)'), - n = 3.009, - Ea = (6.429, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(19.35,'cm^3/(mol*s)'), n=3.009, Ea=(6.429,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58351,7 +39042,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58360,14 +39051,9 @@ index = 2908, label = "C7H15-10 + C2H4 <=> C9H19-4", degeneracy = 2.0, - kinetics = Arrhenius( - A = (21.89, 'cm^3/(mol*s)'), - n = 3.015, - Ea = (6.396, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(21.89,'cm^3/(mol*s)'), n=3.015, Ea=(6.396,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58376,7 +39062,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58385,14 +39071,9 @@ index = 2909, label = "C8H17-8 + C2H4 <=> C10H21-2", degeneracy = 2.0, - kinetics = Arrhenius( - A = (18.44, 'cm^3/(mol*s)'), - n = 3.009, - Ea = (6.446, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(18.44,'cm^3/(mol*s)'), n=3.009, Ea=(6.446,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58401,7 +39082,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58410,14 +39091,9 @@ index = 2910, label = "C10H21-3 + C2H4 <=> C12H25", degeneracy = 2.0, - kinetics = Arrhenius( - A = (17.9, 'cm^3/(mol*s)'), - n = 3.012, - Ea = (6.454, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(17.9,'cm^3/(mol*s)'), n=3.012, Ea=(6.454,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58426,7 +39102,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58435,14 +39111,9 @@ index = 2911, label = "C9H19-5 + propene_1 <=> C12H25-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.808, 'cm^3/(mol*s)'), - n = 2.985, - Ea = (6.156, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.808,'cm^3/(mol*s)'), n=2.985, Ea=(6.156,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58451,7 +39122,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58460,14 +39131,9 @@ index = 2912, label = "CH3 + C11H22 <=> C12H25-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (607.5, 'cm^3/(mol*s)'), - n = 2.969, - Ea = (6.95, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(607.5,'cm^3/(mol*s)'), n=2.969, Ea=(6.95,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58476,7 +39142,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58485,14 +39151,9 @@ index = 2913, label = "C8H17-8 + butene1_1 <=> C12H25-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.15, 'cm^3/(mol*s)'), - n = 2.992, - Ea = (6.26, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.15,'cm^3/(mol*s)'), n=2.992, Ea=(6.26,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58501,7 +39162,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58510,14 +39171,9 @@ index = 2914, label = "C2H5 + C10H20 <=> C12H25-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.816, 'cm^3/(mol*s)'), - n = 2.961, - Ea = (6.743, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.816,'cm^3/(mol*s)'), n=2.961, Ea=(6.743,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58526,7 +39182,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58535,14 +39191,9 @@ index = 2915, label = "C7H15-10 + C5H10-3 <=> C12H25-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.836, 'cm^3/(mol*s)'), - n = 2.984, - Ea = (6.311, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.836,'cm^3/(mol*s)'), n=2.984, Ea=(6.311,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58551,7 +39202,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58560,14 +39211,9 @@ index = 2916, label = "C3H7-5 + C9H18 <=> C12H25-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.773, 'cm^3/(mol*s)'), - n = 2.984, - Ea = (6.363, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.773,'cm^3/(mol*s)'), n=2.984, Ea=(6.363,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58576,7 +39222,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58585,14 +39231,9 @@ index = 2917, label = "C6H13-11 + C6H12-2 <=> C12H25-8", degeneracy = 1.0, - kinetics = Arrhenius( - A = (6.462, 'cm^3/(mol*s)'), - n = 2.987, - Ea = (6.32, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(6.462,'cm^3/(mol*s)'), n=2.987, Ea=(6.32,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58601,7 +39242,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58610,14 +39251,9 @@ index = 2918, label = "C4H9-1 + C8H16 <=> C12H25-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.406, 'cm^3/(mol*s)'), - n = 2.971, - Ea = (6.43, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.406,'cm^3/(mol*s)'), n=2.971, Ea=(6.43,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58626,7 +39262,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58635,14 +39271,9 @@ index = 2919, label = "C5H11-10 + C7H14 <=> C12H25-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.915, 'cm^3/(mol*s)'), - n = 2.977, - Ea = (6.365, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.915,'cm^3/(mol*s)'), n=2.977, Ea=(6.365,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Joao Marcelo Ribeiro','Daniel Belisario-Lara','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Joao Marcelo Ribeiro', 'Daniel Belisario-Lara', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. II: n‑Dodecane (n‑C12H26)', journal = 'J. Phys. Chem. A', pages = '1281-1297', @@ -58651,7 +39282,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K """, ) @@ -58660,9 +39291,9 @@ index = 2920, label = "C3H7-4 <=> propene_2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(9.95e+30, 's^-1'), n=-5.3, Ea=(43000, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(9.95e+30,'s^-1'), n=-5.3, Ea=(43000,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', @@ -58671,7 +39302,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58680,9 +39311,9 @@ index = 2921, label = "C4H9-8 <=> butene1_2 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.86e+33, 's^-1'), n=-5.98, Ea=(44880, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.86e+33,'s^-1'), n=-5.98, Ea=(44880,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', @@ -58691,7 +39322,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58700,9 +39331,9 @@ index = 2922, label = "C5H11-11 <=> C5H10-4 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(4.87e+31, 's^-1'), n=-5.55, Ea=(44230, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(4.87e+31,'s^-1'), n=-5.55, Ea=(44230,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', @@ -58711,7 +39342,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58720,9 +39351,9 @@ index = 2923, label = "C5H11-2 <=> propene_1 + C2H5", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.24e+30, 's^-1'), n=-4.86, Ea=(38050, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.24e+30,'s^-1'), n=-4.86, Ea=(38050,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', @@ -58731,7 +39362,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58740,9 +39371,9 @@ index = 2924, label = "C6H13-12 <=> C6H12-3 + H", degeneracy = 1.0, - kinetics = Arrhenius(A=(8.85e+29, 's^-1'), n=-5.03, Ea=(43290, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(8.85e+29,'s^-1'), n=-5.03, Ea=(43290,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', @@ -58751,7 +39382,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58760,9 +39391,9 @@ index = 2925, label = "C6H13-13 <=> propene_1 + C3H7-5", degeneracy = 1.0, - kinetics = Arrhenius(A=(1.77e+29, 's^-1'), n=-4.6, Ea=(38210, 'cal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1.77e+29,'s^-1'), n=-4.6, Ea=(38210,'cal/mol'), T0=(1,'K')), reference = Article( - authors = ['Long Zhao','Tao Yang','Ralf I. Kaiser','Tyler P. Troy','Musahid Ahmed','Daniel Belisario-Lara','Joao Marcelo Ribeiro','Alexander M. Mebel'], + authors = ['Long Zhao', 'Tao Yang', 'Ralf I. Kaiser', 'Tyler P. Troy', 'Musahid Ahmed', 'Daniel Belisario-Lara', 'Joao Marcelo Ribeiro', 'Alexander M. Mebel'], title = 'Combined Experimental and Computational Study on the Unimolecular Decomposition of JP‑8 Jet Fuel Surrogates. I. n‑Decane (n‑C10H22)', journal = 'J. Phys. Chem. A', pages = '1261-1280', @@ -58771,7 +39402,7 @@ ), rank = 6, longDesc = -u""" +""" Electronic structure calculations carried out at the G3(CCSD,MP2)//B3LYP/6-311G(d,p) level of theory. No hindered rotors were considered; however, the error bar is estimated to be 8−41% at 1000 K and by only 2−25% at 1600 K. Kinetics are reported in the reverse (B-scission) direction. """, ) @@ -58780,14 +39411,9 @@ index = 2926, label = "H + propene_1 <=> C3H7-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.602e+09, 'cm^3/(mol*s)'), - n = 1.284, - Ea = (2.819, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.602e+09,'cm^3/(mol*s)'), n=1.284, Ea=(2.819,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58796,7 +39422,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58805,14 +39431,9 @@ index = 2927, label = "H + C4H8 <=> C4H9-5", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.691e+10, 'cm^3/(mol*s)'), - n = 1.168, - Ea = (2.996, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.691e+10,'cm^3/(mol*s)'), n=1.168, Ea=(2.996,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58821,7 +39442,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58830,14 +39451,9 @@ index = 2928, label = "H + C4H8-2 <=> C4H9-7", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.383e+08, 'cm^3/(mol*s)'), - n = 1.538, - Ea = (2.871, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.383e+08,'cm^3/(mol*s)'), n=1.538, Ea=(2.871,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58846,7 +39462,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58855,9 +39471,9 @@ index = 2929, label = "CH3 + propene_2 <=> C4H9-4", degeneracy = 1.0, - kinetics = Arrhenius(A=(158, 'cm^3/(mol*s)'), n=2.966, Ea=(6.337, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(158,'cm^3/(mol*s)'), n=2.966, Ea=(6.337,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58866,7 +39482,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58875,14 +39491,9 @@ index = 2930, label = "CH3 + C4H8-2 <=> C5H11-6", degeneracy = 1.0, - kinetics = Arrhenius( - A = (82.04, 'cm^3/(mol*s)'), - n = 2.904, - Ea = (7.557, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(82.04,'cm^3/(mol*s)'), n=2.904, Ea=(7.557,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58891,7 +39502,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58900,14 +39511,9 @@ index = 2931, label = "C3H7-2 + C4H8 <=> C7H15-2", degeneracy = 1.0, - kinetics = Arrhenius( - A = (557.5, 'cm^3/(mol*s)'), - n = 2.47, - Ea = (3.895, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(557.5,'cm^3/(mol*s)'), n=2.47, Ea=(3.895,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58916,7 +39522,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58925,14 +39531,9 @@ index = 2932, label = "H + C7H14-2 <=> C7H15-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.174e+12, 'cm^3/(mol*s)'), - n = 0.464, - Ea = (7.387, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.174e+12,'cm^3/(mol*s)'), n=0.464, Ea=(7.387,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58941,7 +39542,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58950,14 +39551,9 @@ index = 2933, label = "H + C7H14-3 <=> C7H15-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.066e+11, 'cm^3/(mol*s)'), - n = 0.481, - Ea = (7.426, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.066e+11,'cm^3/(mol*s)'), n=0.481, Ea=(7.426,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58966,7 +39562,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58975,9 +39571,9 @@ index = 2934, label = "C4H9 + propene_1 <=> C7H15", degeneracy = 1.0, - kinetics = Arrhenius(A=(108.8, 'cm^3/(mol*s)'), n=2.63, Ea=(2.47, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(108.8,'cm^3/(mol*s)'), n=2.63, Ea=(2.47,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -58986,7 +39582,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -58995,14 +39591,9 @@ index = 2935, label = "H + C7H14-4 <=> C7H15-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.892e+09, 'cm^3/(mol*s)'), - n = 1.073, - Ea = (2.175, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.892e+09,'cm^3/(mol*s)'), n=1.073, Ea=(2.175,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59011,7 +39602,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59020,14 +39611,9 @@ index = 2936, label = "H + C7H14-5 <=> C7H15-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (7.137e+11, 'cm^3/(mol*s)'), - n = 0.557, - Ea = (6.066, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(7.137e+11,'cm^3/(mol*s)'), n=0.557, Ea=(6.066,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59036,22 +39622,18 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) + entry( index = 2937, label = "CH3 + C6H12-4 <=> C7H15-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (5.735, 'cm^3/(mol*s)'), - n = 3.077, - Ea = (10.378, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(5.735,'cm^3/(mol*s)'), n=3.077, Ea=(10.378,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59060,7 +39642,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59069,14 +39651,9 @@ index = 2938, label = "C4H9-9 + propene_2 <=> C7H15-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (1.502, 'cm^3/(mol*s)'), - n = 3.105, - Ea = (5.819, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(1.502,'cm^3/(mol*s)'), n=3.105, Ea=(5.819,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59085,7 +39662,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59094,14 +39671,9 @@ index = 2939, label = "CH3 + C6H12-5 <=> C7H15-17", degeneracy = 1.0, - kinetics = Arrhenius( - A = (2.72, 'cm^3/(mol*s)'), - n = 3.079, - Ea = (7.209, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(2.72,'cm^3/(mol*s)'), n=3.079, Ea=(7.209,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59110,7 +39682,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59119,14 +39691,9 @@ index = 2940, label = "C3H7-5 + C4H8-2 <=> C7H15-18", degeneracy = 1.0, - kinetics = Arrhenius( - A = (0.6732, 'cm^3/(mol*s)'), - n = 3.106, - Ea = (6.936, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(0.6732,'cm^3/(mol*s)'), n=3.106, Ea=(6.936,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59135,7 +39702,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59144,14 +39711,9 @@ index = 2941, label = "CH3 + C7H14-6 <=> C8H17-9", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3292, 'cm^3/(mol*s)'), - n = 2.35, - Ea = (11.582, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3292,'cm^3/(mol*s)'), n=2.35, Ea=(11.582,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59160,7 +39722,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59169,14 +39731,9 @@ index = 2942, label = "C4H9-9 + C4H8-2 <=> C8H17-10", degeneracy = 1.0, - kinetics = Arrhenius( - A = (511.3, 'cm^3/(mol*s)'), - n = 2.189, - Ea = (8.596, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(511.3,'cm^3/(mol*s)'), n=2.189, Ea=(8.596,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59185,7 +39742,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59194,14 +39751,9 @@ index = 2943, label = "H + C8H16-2 <=> C8H17-11", degeneracy = 1.0, - kinetics = Arrhenius( - A = (3.602e+10, 'cm^3/(mol*s)'), - n = 0.841, - Ea = (2.517, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(3.602e+10,'cm^3/(mol*s)'), n=0.841, Ea=(2.517,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59210,7 +39762,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59219,14 +39771,9 @@ index = 2944, label = "CH3 + C7H14-7 <=> C8H17-12", degeneracy = 1.0, - kinetics = Arrhenius( - A = (32410, 'cm^3/(mol*s)'), - n = 2.171, - Ea = (6.632, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(32410,'cm^3/(mol*s)'), n=2.171, Ea=(6.632,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59235,7 +39782,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59244,14 +39791,9 @@ index = 2945, label = "CH3 + C7H14-8 <=> C8H17-13", degeneracy = 1.0, - kinetics = Arrhenius( - A = (24460, 'cm^3/(mol*s)'), - n = 2.18, - Ea = (7.469, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(24460,'cm^3/(mol*s)'), n=2.18, Ea=(7.469,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59260,7 +39802,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59269,9 +39811,9 @@ index = 2946, label = "C4H9 + C4H8 <=> C8H17", degeneracy = 1.0, - kinetics = Arrhenius(A=(1238, 'cm^3/(mol*s)'), n=2.31, Ea=(2.516, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(1238,'cm^3/(mol*s)'), n=2.31, Ea=(2.516,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59280,7 +39822,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59289,14 +39831,9 @@ index = 2947, label = "H + C8H16-3 <=> C8H17-14", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.215e+12, 'cm^3/(mol*s)'), - n = 0.201, - Ea = (3.912, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.215e+12,'cm^3/(mol*s)'), n=0.201, Ea=(3.912,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59305,22 +39842,18 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) + entry( index = 2948, label = "CH3 + C7H14-9 <=> C8H17-15", degeneracy = 1.0, - kinetics = Arrhenius( - A = (20560, 'cm^3/(mol*s)'), - n = 2.169, - Ea = (7.027, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(20560,'cm^3/(mol*s)'), n=2.169, Ea=(7.027,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59329,7 +39862,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59338,14 +39871,9 @@ index = 2949, label = "C5H11-12 + propene_2 <=> C8H17-16", degeneracy = 1.0, - kinetics = Arrhenius( - A = (334.3, 'cm^3/(mol*s)'), - n = 2.203, - Ea = (7.151, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(334.3,'cm^3/(mol*s)'), n=2.203, Ea=(7.151,'kcal/mol'), T0=(1,'K')), reference = Article( - authors = ['HongBo Ning','ChunMing Gong','ZeRong Li','XiangYuan Li'], + authors = ['HongBo Ning', 'ChunMing Gong', 'ZeRong Li', 'XiangYuan Li'], title = 'Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis', journal = 'J. Phys. Chem. A', pages = '4093-4107', @@ -59354,7 +39882,7 @@ ), rank = 6, longDesc = -u""" +""" Species are optimized and calculated by the CBS-QB3 method, no hindered rotors considered. """, ) @@ -59363,12 +39891,7 @@ index = 2950, label = "H + C24H14-2 <=> C24H15-3", degeneracy = 1.0, - kinetics = Arrhenius( - A = (4.937e+10, 'cm^3/(mol*s)'), - n = 0.925, - Ea = (0.634, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(4.937e+10,'cm^3/(mol*s)'), n=0.925, Ea=(0.634,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -59379,9 +39902,9 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: Acepentacyl + H <=> W2 @@ -59392,12 +39915,7 @@ index = 2951, label = "H + C24H14-3 <=> C24H15-4", degeneracy = 1.0, - kinetics = Arrhenius( - A = (8.375e+10, 'cm^3/(mol*s)'), - n = 0.849, - Ea = (-0.195, 'kcal/mol'), - T0 = (1, 'K'), - ), + kinetics = Arrhenius(A=(8.375e+10,'cm^3/(mol*s)'), n=0.849, Ea=(-0.195,'kcal/mol'), T0=(1,'K')), reference = Article( authors = ["'M. Frenklach'", "'R. I. Singh'", "'A. M. Mebel'"], title = 'On the low-temperature limit of HACA', @@ -59408,12 +39926,851 @@ ), referenceType = "theory", rank = 5, - shortDesc = u"""G3(MP2,CC)//B3LYP/6-311G(d,p) level""", - longDesc = -u""" + shortDesc = """G3(MP2,CC)//B3LYP/6-311G(d,p) level""", + longDesc = +""" Quantum chemistry calculations at the G3(MP2,CC)//B3LYP/6-311G(d,p) level. Training reaction from kinetics library: Frenklach2019_ProcCombInst_HighP_Pentacyl Original entry: Acepentacyl + H <=> W4 """, ) +entry( + index = 2952, + label = "F + C2F4 <=> C2F5", + degeneracy = 2.0, + kinetics = Arrhenius(A=(3.15e+13,'cm^3/(mol*s)'), n=0, Ea=(7770,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2:CF2 + F <=> CF3-CF2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF2:CF2 + F <=> CF3-CF2 +""", +) + +entry( + index = 2953, + label = "Br + C3H3F3 <=> C3H3BrF3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+12,'cm^3/(mol*s)'), n=0, Ea=(2630,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CHCH2 + BR <=> CF3CHBRCH2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF3CHCH2 + BR <=> CF3CHBRCH2 +""", +) + +entry( + index = 2954, + label = "C3H2F4O-4 <=> C2H2FO + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.293e+13,'s^-1'), n=0.281, Ea=(5580,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2COFCF3 <=> CH2COF + CF3""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: CH2COFCF3 <=> CH2COF + CF3 +""", +) + +entry( + index = 2955, + label = "CH2ClO <=> CH2O + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.53e+31,'s^-1'), n=-6.41, Ea=(22560,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLO <=> CH2O + CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2CLO <=> CH2O + CL +Wang, Hang, Sung, Law, Comb and Flame 1996, +based on revision of rates from Bozzelli 92, +corrected in 1994 cited as private communication +""", +) + +entry( + index = 2956, + label = "C2H3Cl2 <=> C2H3Cl + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.5e+13,'s^-1'), n=0, Ea=(19800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CLCH2CHCL <=> C2H3CL + CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CLCH2CHCL <=> C2H3CL + CL +Wolfrum, J. Laser Chem. 6 125 1986 +""", +) + +entry( + index = 2957, + label = "Cl + C2H4 <=> C2H4Cl-2", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.8e+10,'cm^3/(mol*s)'), n=1.31, Ea=(-1029,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H4 + CL <=> CH2CLCH2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H4 + CL <=> CH2CLCH2 +Knyazev et al. J. Phys. Chem. A 103 3216-3221 1999 +""", +) + +entry( + index = 2958, + label = "C2H3Cl2 <=> C2H3Cl + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.72e+14,'s^-1'), n=0, Ea=(27300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCHCL <=> C2H3CL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CLCHCL <=> C2H3CL + CL +""", +) + +entry( + index = 2959, + label = "C2H2Cl3 <=> C2H2Cl2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.35e+14,'s^-1'), n=0, Ea=(19400,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CCL3 <=> CH2CCL2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CCL3 <=> CH2CCL2 + CL +""", +) + +entry( + index = 2960, + label = "C2HCl4-3 <=> C2HCl3 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.51e+13,'s^-1'), n=0, Ea=(15500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2CCL2 <=> C2HCL3 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL2CCL2 <=> C2HCL3 + CL +""", +) + +entry( + index = 2961, + label = "C2Cl5 <=> C2Cl4 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.51e+13,'s^-1'), n=0, Ea=(15500,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2CL5 <=> C2CL4 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2CL5 <=> C2CL4 + CL +""", +) + +entry( + index = 2962, + label = "C2HCl2 <=> C2HCl-2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.72e+14,'s^-1'), n=0, Ea=(19600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCCL2 <=> C2HCL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCCL2 <=> C2HCL + CL +""", +) + +entry( + index = 2963, + label = "C2HCl2-2 <=> C2HCl + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.35e+14,'s^-1'), n=0, Ea=(19200,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCLCCL <=> C2HCL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCLCCL <=> C2HCL + CL +""", +) + +entry( + index = 2964, + label = "CF3 + C2H3F <=> C3H3F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(28.0321,'cm^3/(mol*s)'), n=3.23913, Ea=(8.38262,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05657, dn = +|- 0.00722941, dEa = +|- 0.0393422 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: CDCF + F[C](F)F <=> [CH2]C(F)C(F)(F)F +barrier = 12.640962 kJ/mol + +Atom XYZ coordinates (angstrom) +F 1.536255 1.214702 -0.079778 +F -0.939056 0.020898 -1.307442 +F -1.415099 1.001797 0.562387 +F -1.345425 -1.15868 0.460542 +C 1.841749 -1.094048 -0.091875 +C 1.367556 0.011432 0.4945 +C -0.825173 -0.036295 0.001414 +H 2.236202 -1.060991 -1.096325 +H 1.763337 -2.039028 0.421792 +H 1.090111 0.085957 1.538332 +""", +) + +entry( + index = 2965, + label = "C2HF4 + CH2O <=> C3H3F4O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(12.2525,'cm^3/(mol*s)'), n=2.9005, Ea=(21.5856,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.06894, dn = +|- 0.00875918, dEa = +|- 0.0476671 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: CDO + F[CH]C(F)(F)F <=> [O]CC(F)C(F)(F)F +barrier = 28.680291 kJ/mol +T1 = 0.01956447 + +Atom XYZ coordinates (angstrom) +F 0.413786 1.72519 0.099872 +F -2.059363 0.548114 -0.329023 +F -0.98397 -0.401114 1.274846 +F -1.067011 -1.339108 -0.67239 +O 2.820386 -0.2034 -0.286157 +C 0.28252 0.538282 -0.467858 +C 1.853289 -0.607814 0.353864 +C -0.973415 -0.171633 -0.037543 +H 0.537964 0.506688 -1.519395 +H 1.625424 -0.202803 1.352702 +H 1.366233 -1.563503 0.097826 +""", +) + +entry( + index = 2966, + label = "CH2 + C2F4O <=> C3H2F4O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(39.2683,'cm^3/(mol*s)'), n=3.02759, Ea=(13.4925,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.02776, dn = +|- 0.00359797, dEa = +|- 0.01958 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: ODC(F)C(F)(F)F + [CH2] <=> [CH2]C([O])(F)C(F)(F)F +barrier = 21.325368 kJ/mol +T1 = 0.019349565 + +Atom XYZ coordinates (angstrom) +F -0.804147 -0.62701 -1.278327 +F -1.508818 1.031886 -0.102012 +F -1.152619 -0.876819 0.836312 +F 1.249444 1.011615 -0.856527 +O 1.082488 0.696347 1.342842 +C -0.718407 -0.038103 -0.091473 +C 0.721489 0.424199 0.235102 +C 1.633575 -1.428741 -0.00426 +H 1.312163 -2.098998 0.773681 +H 1.830271 -1.54956 -1.056352 +""", +) + +entry( + index = 2967, + label = "H + C2Cl4 <=> C2HCl4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.41408e+08,'cm^3/(mol*s)'), n=1.71182, Ea=(5.63798,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0801, dn = +|- 0.010123, dEa = +|- 0.0550891 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + ClC(Cl)DC(Cl)Cl <=> Cl[C](Cl)C(Cl)Cl +barrier = 13.418113 kJ/mol +T1 = 0.021010868 + +Atom XYZ coordinates (angstrom) +Cl 1.567916 1.453145 -0.044375 +Cl 1.567906 -1.453156 -0.04438 +Cl -1.595404 1.445705 -0.030496 +Cl -1.595413 -1.445696 -0.0305 +C 0.654348 -3e-06 0.119505 +C -0.691453 2e-06 -0.026994 +H 0.686962 -6e-06 1.968803 +""", +) + +entry( + index = 2968, + label = "CH3 + C2F4O <=> C3H3F4O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(120.113,'cm^3/(mol*s)'), n=2.79634, Ea=(10.1172,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.11001, dn = +|- 0.013712, dEa = +|- 0.0746202 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: ODC(F)C(F)(F)F + [CH3] <=> CC([O])(F)C(F)(F)F +barrier = 18.791585 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.049628 -0.780516 1.124833 +F -1.641555 0.892975 -0.099344 +F -0.937914 -0.91751 -1.024584 +F 1.024941 0.877942 -1.149329 +O 1.072193 1.023711 1.075442 +C -0.773848 -0.108637 0.016909 +C 0.6516 0.486465 0.089829 +C 1.710771 -1.315562 0.111173 +H 2.698069 -0.880057 0.134715 +H 1.350324 -1.767441 1.02312 +H 1.372358 -1.727653 -0.828547 +""", +) + +entry( + index = 2969, + label = "H + C3H2BrF3 <=> C3H3BrF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.5122e+07,'cm^3/(mol*s)'), n=1.804, Ea=(21.2699,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.14025, dn = +|- 0.0172432, dEa = +|- 0.093837 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + CDC(Br)C(F)(F)F <=> [CH2]C(Br)C(F)(F)F +barrier = 29.653060 kJ/mol + +Atom XYZ coordinates (angstrom) +Br 1.582309 -0.172836 0.036012 +F -2.410961 0.444731 0.288194 +F -1.38508 -0.66916 -1.245392 +F -1.208071 -1.264858 0.808717 +C -1.28193 -0.208836 0.0047 +C -0.087319 0.717058 0.124273 +C -0.200724 2.026414 -0.113679 +H -1.18146 2.478087 -0.163577 +H 0.671258 2.655495 -0.201011 +H -0.231129 0.614672 1.990955 +""", +) + +entry( + index = 2970, + label = "H + C3HF3 <=> C3H2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.97234e+09,'cm^3/(mol*s)'), n=1.64652, Ea=(8.61616,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05452, dn = +|- 0.00697497, dEa = +|- 0.0379575 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: C#CC(F)(F)F + [H] <=> CD[C]C(F)(F)F +barrier = 13.128864 kJ/mol +T1 = 0.016813473 + +Atom XYZ coordinates (angstrom) +F -0.694646 1.291974 0.001736 +F -0.964548 -0.550972 -1.077952 +F -0.964013 -0.554232 1.075974 +C -0.396816 -0.008874 -0.000305 +C 1.053525 -0.221099 -0.000975 +C 2.255478 -0.241156 -0.001095 +H 3.285457 -0.514533 -0.001971 +H 2.838685 1.580007 0.004314 +""", +) + +entry( + index = 2971, + label = "C3H2F4O-4 <=> C2H2FO + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.3142e+12,'s^-1'), n=0.146031, Ea=(29.6242,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.08339, dn = +|- 0.0105223, dEa = +|- 0.0572621 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [CH2]C([O])(F)C(F)(F)F <=> [CH2]C(DO)F + F[C](F)F +barrier = 27.920810 kJ/mol +T1 = 0.02353576 + +Atom XYZ coordinates (angstrom) +F -1.176607 -0.776252 1.11643 +F 1.215768 0.605697 1.043046 +F 1.360194 -1.203751 -0.127513 +F 1.226768 0.717633 -1.11181 +O -1.229482 -0.670465 -1.116586 +C -1.075476 -0.066125 -0.048607 +C 0.869948 0.003884 -0.072623 +C -1.470248 1.325603 0.129597 +H -1.683675 1.695842 1.117707 +H -1.552958 1.944385 -0.747131 +""", +) + +entry( + index = 2972, + label = "H + C2HCl3-2 <=> C2H2Cl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.52012e+07,'cm^3/(mol*s)'), n=1.82718, Ea=(11.5338,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.1471, dn = +|- 0.0180304, dEa = +|- 0.0981207 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + ClCDC(Cl)Cl <=> Cl[CH]C(Cl)Cl +barrier = 20.542004 kJ/mol +T1 = 0.021847983999999997 + +Atom XYZ coordinates (angstrom) +Cl 2.257522 -0.351221 -0.061808 +Cl -2.002166 -0.777944 -0.052169 +Cl -0.312136 1.605238 -0.034087 +C 0.651172 -0.918296 -0.055008 +C -0.410444 -0.110036 0.113827 +H 0.525811 -1.988312 -0.09492 +H -0.450964 -0.054535 1.936568 +""", +) + +entry( + index = 2973, + label = "H + C2H3Cl <=> C2H4Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.11097e+08,'cm^3/(mol*s)'), n=1.55956, Ea=(1.94861,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01559, dn = +|- 0.00203305, dEa = +|- 0.0110638 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + CDCCl <=> C[CH]Cl +barrier = 5.989356 kJ/mol +T1 = 0.019274266 + +Atom XYZ coordinates (angstrom) +Cl 1.130448 -0.091101 -0.045823 +C -1.549611 -0.173762 -0.207832 +C -0.465505 0.562487 0.012829 +H -2.522083 0.297441 -0.199268 +H -1.479131 -1.203524 -0.526821 +H -0.489913 1.606963 0.282075 +H -2.040892 -0.980977 1.594237 +""", +) + +entry( + index = 2974, + label = "H + C3H2F4 <=> C3H3F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.64171e+08,'cm^3/(mol*s)'), n=1.61036, Ea=(10.6326,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0423, dn = +|- 0.00544253, dEa = +|- 0.029618 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + CDC(F)C(F)(F)F <=> C[C](F)C(F)(F)F +barrier = 15.211614 kJ/mol + +Atom XYZ coordinates (angstrom) +F 1.247501 -0.611061 -0.978378 +F 1.081734 -0.394559 1.154128 +F 0.971054 1.348345 -0.114378 +F -1.214342 -1.378872 -0.016029 +C 0.625494 0.066703 -0.012119 +C -1.75072 0.881849 -0.213456 +C -0.865247 -0.098063 -0.110318 +H -2.229855 1.392845 1.670455 +H -1.409112 1.896504 -0.337808 +H -2.79931 0.651356 -0.325251 +""", +) + +entry( + index = 2975, + label = "H + C2HCl3 <=> C2H2Cl3-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.60353e+08,'cm^3/(mol*s)'), n=1.57781, Ea=(1.02326,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0187, dn = +|- 0.00243446, dEa = +|- 0.0132482 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + ClCDC(Cl)Cl <=> ClC[C](Cl)Cl +barrier = 6.101575 kJ/mol +T1 = 0.019703416 + +Atom XYZ coordinates (angstrom) +Cl -2.23765 -0.295465 -0.071326 +Cl 0.361921 1.61937 0.021038 +Cl 2.018293 -0.764976 -0.060674 +C -0.625805 -0.886917 0.010807 +C 0.444281 -0.081598 -0.045394 +H -0.608062 -1.351064 1.88559 +H -0.513583 -1.949895 -0.130653 +""", +) + +entry( + index = 2976, + label = "OH + C3H2F4 <=> C3H3F4O-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(106369,'cm^3/(mol*s)'), n=2.37611, Ea=(-3.28169,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05622, dn = +|- 0.00718555, dEa = +|- 0.0391035 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [OH] + CDC(F)C(F)(F)F <=> OC[C](F)C(F)(F)F +barrier = 0.935450 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.963742 0.434 0.386189 +F -0.985431 -0.518045 -1.274659 +F -0.814418 -1.365166 0.705156 +F 0.329044 1.74222 -0.4161 +O 2.351653 -0.871155 -0.511956 +C -0.863262 -0.228561 0.020805 +C 0.364562 0.603843 0.270787 +C 1.41872 0.24554 1.006082 +H 1.369174 -0.652723 1.59705 +H 2.229161 0.940158 1.15987 +H 2.32272 -0.238802 -1.247331 +""", +) + +entry( + index = 2977, + label = "CF3 + C2HF <=> C3HF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(20.2591,'cm^3/(mol*s)'), n=3.6068, Ea=(10.6776,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01551, dn = +|- 0.00202271, dEa = +|- 0.0110075 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: F[C](F)F + C#CF <=> [CH]DC(F)C(F)(F)F +barrier = 15.598511 kJ/mol + +Atom XYZ coordinates (angstrom) +F 1.053606 0.993054 -0.853542 +F 1.312652 -1.101011 -0.378055 +F 1.235983 0.365716 1.209757 +F -1.613563 1.023452 0.527546 +C 0.792587 0.038483 0.01437 +C -1.712611 -1.328456 -0.176539 +C -1.460757 -0.194631 0.144652 +H -1.723004 -2.345601 -0.484198 +""", +) + +entry( + index = 2978, + label = "O + C3H2F4 <=> C3H2F4O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.61464e+08,'cm^3/(mol*s)'), n=1.57399, Ea=(4.46091,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01481, dn = +|- 0.00193145, dEa = +|- 0.0105109 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [O] + CDC(F)C(F)(F)F <=> [O]C[C](F)C(F)(F)F +barrier = 6.291527 kJ/mol +T1 = 0.02229843 + +Atom XYZ coordinates (angstrom) +F -1.724187 1.063896 0.711792 +F -1.590133 -0.38383 -0.885019 +F -1.742689 -1.036825 1.167657 +F 0.687749 0.198345 1.697703 +O 1.157808 1.634093 -1.164554 +C -1.213496 -0.113234 0.361959 +C 1.148994 -0.288591 -0.536763 +C 0.287296 -0.10783 0.474142 +H 0.780136 -0.633242 -1.489486 +H 2.208422 -0.332782 -0.337531 +""", +) + +entry( + index = 2979, + label = "H + C2H3Cl-2 <=> C2H4Cl-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.74364e+07,'cm^3/(mol*s)'), n=1.76515, Ea=(11.9318,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.11306, dn = +|- 0.014073, dEa = +|- 0.0765846 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + CDCCl <=> [CH2]CCl +barrier = 19.701613 kJ/mol +T1 = 0.022877116 + +Atom XYZ coordinates (angstrom) +Cl -1.065345 -0.122163 0.023902 +C 0.569231 0.447479 -0.158989 +C 1.617322 -0.365356 0.001071 +H 0.575661 1.4837 1.379301 +H 0.629523 1.405966 -0.651613 +H 2.611577 0.004613 -0.203827 +H 1.502225 -1.368011 0.384651 +""", +) + +entry( + index = 2980, + label = "H + C2HCl <=> C2H2Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.25384e+08,'cm^3/(mol*s)'), n=2.03877, Ea=(8.60544,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.01614, dn = +|- 0.00210321, dEa = +|- 0.0114456 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: C#CCl + [H] <=> CD[C]Cl +barrier = 14.042777 kJ/mol +T1 = 0.018324222 + +Atom XYZ coordinates (angstrom) +Cl -1.095174 0.04443 -1e-05 +C 1.731553 -0.172274 2.1e-05 +C 0.526686 -0.157121 9e-06 +H 2.755995 -0.459262 3.5e-05 +H 2.315324 1.670887 8e-06 +""", +) + +entry( + index = 2981, + label = "CF3 + C2HF-2 <=> C3HF4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(105.193,'cm^3/(mol*s)'), n=3.55802, Ea=(13.3707,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.00525, dn = +|- 0.000687429, dEa = +|- 0.00374097 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: F[C](F)F + C#CF <=> F[C]DCC(F)(F)F +barrier = 17.894589 kJ/mol + +Atom XYZ coordinates (angstrom) +F -0.62042 1.295822 0.028314 +F -1.692327 -0.267472 1.072306 +F -1.68186 -0.22267 -1.089855 +F 2.715015 0.527171 0.026589 +C -0.981855 0.029362 0.000323 +C 0.933126 -1.178356 -0.015522 +C 1.884891 -0.43554 0.003595 +H 0.436602 -2.121492 -0.036639 +""", +) + +entry( + index = 2982, + label = "H + C3H2F4-2 <=> C3H3F4-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.50881e+07,'cm^3/(mol*s)'), n=1.74121, Ea=(13.5074,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0977, dn = +|- 0.0122465, dEa = +|- 0.0666447 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [H] + CDC(F)C(F)(F)F <=> [CH2]C(F)C(F)(F)F +barrier = 21.171139 kJ/mol +T1 = 0.018770476 + +Atom XYZ coordinates (angstrom) +F -0.986966 0.201334 -1.251893 +F -1.164121 0.86468 0.780738 +F -1.060756 -1.248547 0.344629 +F 1.379721 1.229087 -0.019725 +C -0.596327 -0.049116 0.001222 +C 0.915947 -0.018186 0.087424 +C 1.695374 -1.080655 -0.102876 +H 2.761979 -0.957425 -0.208576 +H 1.263204 -2.06791 -0.082806 +H 0.802395 0.024618 1.957845 +""", +) + +entry( + index = 2983, + label = "O + C3H2F4-2 <=> C3H2F4O-3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.12219e+07,'cm^3/(mol*s)'), n=1.70304, Ea=(9.38391,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.05605, dn = +|- 0.00716468, dEa = +|- 0.0389899 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [O] + CDC(F)C(F)(F)F <=> [CH2]C([O])(F)C(F)(F)F +barrier = 11.869739 kJ/mol +T1 = 0.025234005 + +Atom XYZ coordinates (angstrom) +F -0.570408 1.418163 -0.921065 +F 1.169893 -0.826483 -1.567817 +F 1.413173 -1.027056 0.567116 +F 1.972949 0.806969 -0.429899 +O 0.005911 1.243567 1.540288 +C -0.324887 0.334496 -0.199314 +C 1.088191 -0.17489 -0.402843 +C -1.323314 -0.407163 0.312615 +H -2.337997 -0.043799 0.270074 +H -1.09341 -1.323904 0.830746 +""", +) + +entry( + index = 2984, + label = "H + CHClO <=> CH2ClO-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.51747e+07,'cm^3/(mol*s)'), n=1.78723, Ea=(21.8113,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.13144, dn = +|- 0.016224, dEa = +|- 0.0882903 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: ODCCl + [H] <=> [O]CCl +barrier = 30.063778 kJ/mol +T1 = 0.022729131 + +Atom XYZ coordinates (angstrom) +Cl 1.046614 -0.069148 0.069534 +O -1.564044 -0.375607 0.056191 +C -0.67022 0.366119 -0.199585 +H -0.729837 1.255454 -0.836534 +H -0.692853 1.484871 1.127798 +""", +) + +entry( + index = 2985, + label = "CF3 + C2H3FO <=> C3H3F4O-4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(68.8073,'cm^3/(mol*s)'), n=3.19085, Ea=(4.86744,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.0433, dn = +|- 0.00556922, dEa = +|- 0.0303075 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: OCDCF + F[C](F)F <=> O[CH]C(F)C(F)(F)F +barrier = 7.944428 kJ/mol +T1 = 0.018563563 + +Atom XYZ coordinates (angstrom) +F 0.959397 -1.553183 -0.16316 +F -2.070234 -0.835877 0.020543 +F -0.903993 0.46835 -1.255247 +F -1.568515 1.162084 0.684063 +O 2.329076 0.792318 -0.508395 +C 1.675541 0.496963 0.627194 +C 0.911981 -0.594283 0.791574 +C -1.151285 0.113973 -0.005562 +H 1.744182 1.252131 1.394154 +H 0.490642 -0.90878 1.732031 +H 2.206228 0.079205 -1.147248 +""", +) + +entry( + index = 2986, + label = "OH + C3H2F4-2 <=> C3H3F4O-5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(11616.7,'cm^3/(mol*s)'), n=2.45061, Ea=(-2.68149,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03301, dn = +|- 0.0042666, dEa = +|- 0.0232187 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: [OH] + CDC(F)C(F)(F)F <=> [CH2]C(O)(F)C(F)(F)F +barrier = 2.713694 kJ/mol + +Atom XYZ coordinates (angstrom) +F 1.64622 0.906852 0.431975 +F 1.084614 -0.348189 -1.215413 +F 0.986458 -1.113263 0.803501 +F -0.949554 1.320378 -0.768215 +O -1.589454 -1.196565 -0.680259 +C 0.788172 -0.039415 0.034724 +C -0.632546 0.462847 0.184 +C -1.376836 0.307659 1.282048 +H -2.332357 0.802206 1.356217 +H -1.034945 -0.339452 2.073622 +H -1.379745 -1.937827 -0.089634 +""", +) + +entry( + index = 2987, + label = "CF3 + C2H3FO-2 <=> C3H3F4O-6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4291,'cm^3/(mol*s)'), n=3.20779, Ea=(32.5964,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.03889, dn = +|- 0.00501223, dEa = +|- 0.0272763 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST m062x/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: CC(DO)F + F[C](F)F <=> CC([O])(F)C(F)(F)F +barrier = 38.003467 kJ/mol + +Atom XYZ coordinates (angstrom) +F -1.207296 -0.682265 1.156389 +F 1.263436 0.653874 0.998133 +F 1.279497 0.589003 -1.160652 +F 1.352412 -1.246069 -0.019976 +O -1.216134 -0.816169 -1.062051 +C -1.414863 1.361843 -0.018887 +C -1.081336 -0.11084 -0.082336 +C 0.905481 -0.024431 -0.067137 +H -0.956912 1.832054 0.845598 +H -1.102885 1.842071 -0.941182 +H -2.498617 1.429354 0.073678 +""", +) + +entry( + index = 2988, + label = "H + C3HF4O <=> C3H2F4O-5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.4545e+07,'cm^3/(mol*s)'), n=1.71558, Ea=(25.2757,'kJ/mol'), T0=(1,'K'), Tmin=(298,'K'), Tmax=(2500,'K'), comment="""Fitted to 50 data points; dA = *|/ 1.09795, dn = +|- 0.0122769, dEa = +|- 0.0668106 kJ/mol"""), + rank = 7, + shortDesc = """AutoTST ccsd(t)-f12/cc-pvdz-f12//M062X-D3/jun-cc-pVTZ RRHO""", + longDesc = +""" +Training reaction from kinetics library: autotst/R_Addition_MultipleBond +Original entry: ODC[C](F)C(F)(F)F + [H] <=> [O]C[C](F)C(F)(F)F +barrier = 32.813782 kJ/mol +T1 = 0.023314561 + +Atom XYZ coordinates (angstrom) +F 1.648218 0.573598 -0.963854 +F 1.123416 -1.411177 -0.283101 +F 1.53366 0.159488 1.142391 +F -0.70684 1.529217 0.125963 +O -2.746004 -0.261659 -0.120489 +C 0.975547 -0.109049 -0.040545 +C -0.477894 0.25279 -0.045954 +C -1.576343 -0.675499 -0.020276 +H -1.313111 -1.72621 -0.186379 +H -1.771135 -1.147713 1.648587 +""", +) + diff --git a/input/kinetics/families/R_Recombination/groups.py b/input/kinetics/families/R_Recombination/groups.py index 4ba03d9175..90dc857549 100644 --- a/input/kinetics/families/R_Recombination/groups.py +++ b/input/kinetics/families/R_Recombination/groups.py @@ -2,8 +2,8 @@ # encoding: utf-8 name = "R_Recombination/groups" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ """ @@ -62,8 +62,8 @@ group = """ 1 * H u1 -2 * S u1 r0 {3,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} +2 * S u1 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) @@ -73,1522 +73,1623 @@ label = "Root_1R->H_N-2R->S", group = """ -1 * H u1 -2 * [O,H,C,N] u1 +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 """, kinetics = None, ) entry( index = 5, - label = "Root_1R->H_N-2R->S_2CHNO->H", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing", group = """ -1 * H u1 -2 * H u1 +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 """, kinetics = None, ) entry( index = 6, - label = "Root_1R->H_N-2R->S_N-2CHNO->H", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H", group = """ -1 * H u1 -2 * [O,N,C] u1 +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,S} +4 R!H ux {3,S} """, kinetics = None, ) entry( index = 7, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 * H u1 -2 * C u1 r1 +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,S} +4 R!H ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 8, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Ext-3R!H-R", group = """ -1 * H u1 -2 * C u1 r1 {3,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} {4,S} -4 C ux {3,S} {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,S} {8,[S,D,T,B,Q]} +4 R!H ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 9, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", group = """ -1 * H u1 -2 * C u1 r1 {3,[S,D,T,B]} {6,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} {4,S} -4 C ux {3,S} {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 C ux {2,[S,D,T,B]} {5,[S,D,T,B]} {7,[S,D,T,B]} -7 C ux {6,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,S} +4 R!H ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} {6,S} {7,[S,D,T,B,Q]} +6 R!H ux {5,S} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 10, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_Sp-5R!H-=4R!H", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", group = """ -1 * H u1 r0 -2 * C u1 r1 {3,S} {6,S} -3 C u0 r1 {2,S} {4,S} -4 C ux r1 {3,S} {5,B} -5 C u0 r1 {4,B} {6,[S,D,T,B]} -6 C u0 r1 {2,S} {5,[S,D,T,B]} {7,[S,D,T,B]} -7 C ux {6,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,S} +4 R!H ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} {6,[B,D]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[B,D]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 11, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO", group = """ -1 * H u1 -2 * C u1 r1 {3,[S,D,T,B]} {6,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} {4,S} -4 C u0 {3,S} {5,[S,D]} -5 C ux {4,[S,D]} {6,B} -6 C ux {2,[S,D,T,B]} {5,B} {7,B} -7 C u0 {6,B} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,S} +3 R!H ux {2,S} {4,S} +4 R!H ux {3,S} """, kinetics = None, ) entry( index = 12, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H_Ext-3R!H-R", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing", group = """ -1 * H u1 -2 * C u1 r1 {3,[S,D,T,B]} {6,[S,D,T,B]} -3 C ux r1 {2,[S,D,T,B]} {4,S} {8,[S,D,T,B]} -4 C u0 r1 {3,S} {5,[S,D]} -5 C ux r1 {4,[S,D]} {6,B} -6 C ux r1 {2,[S,D,T,B]} {5,B} {7,B} -7 C u0 r1 {6,B} -8 R!H ux {3,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,S} +3 R!H ux {2,S} {4,S} +4 R!H ux r1 {3,S} """, kinetics = None, ) entry( index = 13, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing_Ext-3R!H-R", group = """ -1 * H u1 -2 * C u1 r1 {3,S} -3 C ux r1 {2,S} {4,S} {6,[S,D,T,B]} -4 C ux r1 {3,S} {5,[S,D,T,B]} -5 C ux r1 {4,[S,D,T,B]} -6 R!H ux {3,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,S} +3 R!H ux {2,S} {4,S} {5,[S,D,T,B,Q]} +4 R!H ux r1 {3,S} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 14, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_N-4R!H-inRing", group = """ -1 * H u1 -2 * C u1 r1 {3,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} {4,[B,D]} -4 C ux {3,[B,D]} {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,S} +3 R!H ux {2,S} {4,S} +4 R!H ux r0 {3,S} """, kinetics = None, ) entry( index = 15, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_N-Sp-3R!H-2BrCClFHNO", group = """ -1 * H u1 -2 * C u1 r1 {3,S} -3 C ux {2,S} {4,D} -4 C u0 {3,D} {5,S} -5 C ux {4,S} {6,[S,D,T,B]} {7,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} -7 R!H ux {5,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[B,D]} +3 R!H ux {2,[B,D]} {4,S} +4 R!H ux {3,S} """, kinetics = None, ) entry( index = 16, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R_Ext-2CNO-R", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H", group = """ -1 * H u1 -2 * C u1 r1 {3,S} {8,[S,D,T,B]} -3 C ux r1 {2,S} {4,D} -4 C u0 r1 {3,D} {5,S} -5 C ux r1 {4,S} {6,[S,D,T,B]} {7,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} -7 R!H ux {5,[S,D,T,B]} -8 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} """, kinetics = None, ) entry( index = 17, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R", group = """ -1 * H u1 -2 * C u1 r1 {3,[S,D,T,B]} -3 C ux r1 {2,[S,D,T,B]} {4,[B,D]} {6,[S,D,T,B]} -4 C ux r1 {3,[B,D]} {5,[S,D,T,B]} -5 C ux r1 {4,[S,D,T,B]} -6 R!H ux {3,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 18, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO", group = """ -1 * H u1 -2 * C u1 r1 {3,[S,D,T,B]} {7,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} {4,[B,D]} -4 C ux {3,[B,D]} {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} {6,[S,D,T,B]} -6 C ux {5,[S,D,T,B]} -7 C u0 {2,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,S} +3 R!H ux {2,S} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 19, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_Sp-3R!H-=2CNO", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO_Ext-2BrCClFHNO-R", group = """ -1 * H u1 -2 * C u1 r1 {3,B} {7,[S,D,T,B]} -3 C ux r1 {2,B} {4,[B,D]} -4 C ux r1 {3,[B,D]} {5,[S,D,T,B]} -5 C ux r1 {4,[S,D,T,B]} {6,[S,D,T,B]} -6 C ux r1 {5,[S,D,T,B]} -7 C u0 {2,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,S} {8,[S,D,T,B,Q]} +3 R!H ux {2,S} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 20, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_N-Sp-3R!H-=2CNO", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO", group = """ -1 * H u1 -2 * C u1 r1 {3,S} {7,[S,D,T,B]} -3 C ux r1 {2,S} {4,[B,D]} -4 C ux r1 {3,[B,D]} {5,[S,D,T,B]} -5 C ux r1 {4,[S,D,T,B]} {6,[S,D,T,B]} -6 C ux r1 {5,[S,D,T,B]} -7 C u0 {2,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,B} +3 R!H ux {2,B} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 21, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO_Ext-4R!H-R", group = """ -1 * H u1 -2 * [O,N,C] u1 r0 +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,B} +3 R!H ux {2,B} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {5,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 22, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R", group = """ -1 * H u1 -2 * [O,N,C] u1 r0 {3,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 23, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-3R!H-2BrCClFHNO", group = """ -1 * H u1 -2 * [O,N,C] u1 r0 {3,D} -3 R!H u0 {2,D} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,S} {5,[S,D,T,B,Q]} +3 R!H ux {2,S} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 24, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O", + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-3R!H-2BrCClFHNO", group = """ -1 * H u1 -2 * [O,N,C] u1 r0 {3,D} -3 O u0 r0 {2,D} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r1 {3,B} {5,[S,D,T,B,Q]} +3 R!H ux {2,B} {4,[B,D,T,Q]} +4 R!H ux {3,[B,D,T,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 25, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing", group = """ -1 * H u1 -2 * [O,N,C] u1 r0 {3,D} -3 C u0 {2,D} +1 * H u1 +2 * [C,O,H,N,F,Br,Cl] u1 r0 """, kinetics = None, ) entry( index = 26, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O", group = """ 1 * H u1 -2 * C u1 r0 {3,D} {4,S} -3 C u0 {2,D} -4 C u0 {2,S} +2 * O u1 r0 """, kinetics = None, ) entry( index = 27, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R_Ext-3CS-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R", group = """ 1 * H u1 -2 * C u1 r0 {3,D} {4,S} -3 C u0 r0 {2,D} {5,[S,D,T,B]} -4 C u0 {2,S} -5 R!H ux {3,[S,D,T,B]} +2 * O u1 r0 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 28, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_3R!H->Cl", group = """ -1 * H u1 -2 * [O,N,C] u1 r0 {3,D} -3 C u0 {2,D} {4,D} -4 R!H u0 {3,D} +1 * H u1 r0 +2 * O u1 r0 {3,S} +3 Cl u0 r0 {2,S} """, kinetics = None, ) entry( index = 29, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_2CNO->N", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl", group = """ -1 * H u1 r0 -2 * N u1 r0 {3,D} -3 C u0 r0 {2,D} {4,D} -4 R!H u0 r0 {3,D} +1 * H u1 +2 * O u1 r0 {3,[S,D,T,B,Q]} +3 [C,O,Si,S,N,P,F,I,Br] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 30, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_N-2CNO->N", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_3BrCFINOPSSi->C", group = """ -1 * H u1 r0 -2 * C u1 r0 {3,D} -3 C u0 r0 {2,D} {4,D} -4 C u0 r0 {3,D} +1 * H u1 +2 * O u1 r0 {3,[S,D,T,B,Q]} +3 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 31, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_N-3BrCFINOPSSi->C", group = """ -1 * H u1 -2 * [O,N,C] u1 r0 {3,[B,S,T]} -3 R!H ux {2,[B,S,T]} +1 * H u1 +2 * O u1 r0 {3,[S,D,T,B,Q]} +3 O ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 32, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O", group = """ -1 * H u1 -2 * O u1 r0 {3,S} -3 R!H ux {2,S} +1 * H u1 +2 * [C,H,N] u1 r0 """, kinetics = None, ) entry( index = 33, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_2CHN->N", group = """ -1 * H u1 r0 -2 * O u1 r0 {3,S} -3 O ux r0 {2,S} +1 * H u1 +2 * N u1 r0 """, kinetics = None, ) entry( index = 34, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N", group = """ -1 * H u1 r0 -2 * O u1 r0 {3,S} -3 [C,S] ux r0 {2,S} +1 * H u1 +2 * [C,H] u1 r0 """, kinetics = None, ) entry( index = 35, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C", group = """ -1 * H u1 -2 * C u1 r0 {3,[B,S,T]} -3 R!H ux {2,[B,S,T]} +1 * H u1 +2 * C u1 r0 """, kinetics = None, ) entry( index = 36, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R", group = """ -1 * H u1 -2 * C u1 r0 {3,S} {4,S} -3 C ux {2,S} -4 C u0 {2,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 37, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F", group = """ 1 * H u1 -2 * C u1 r0 {3,S} {4,S} {5,[S,D,T,B]} -3 C ux {2,S} -4 C u0 {2,S} -5 C ux {2,[S,D,T,B]} +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 38, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R", group = """ 1 * H u1 -2 * C u1 r0 {3,S} {4,S} {5,[S,D,T,B]} -3 C ux r0 {2,S} {7,[S,D,T,B]} -4 C u0 r0 {2,S} -5 C ux {2,[S,D,T,B]} {6,D} -6 C u0 r0 {5,D} -7 R!H ux {3,[S,D,T,B]} +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 39, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C", group = """ 1 * H u1 -2 * C u1 r0 {3,S} {4,S} -3 C u0 {2,S} {5,D} -4 C u0 {2,S} -5 C u0 {3,D} +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 40, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R", group = """ -1 * H u1 r0 -2 * C u1 r0 {3,S} {4,S} -3 C u0 r0 {2,S} {5,D} -4 C u0 r0 {2,S} {6,[S,D,T,B]} -5 C u0 r0 {3,D} -6 R!H ux {4,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 41, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_5R!H->Cl", group = """ -1 * H u1 -2 * C u1 r0 {3,[B,S,T]} -3 C ux {2,[B,S,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 Cl ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 42, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux {2,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 [C,O,Si,S,N,P,F,I,Br] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 43, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_5BrCFINOPSSi->Br", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux {2,S} {4,[S,D,T,B]} -4 C ux {3,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 Br ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 44, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux {2,S} {4,D} -4 C ux {3,D} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 [C,F] ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 45, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CF->C", group = """ 1 * H u1 -2 * C u1 r0 {3,S} -3 C u0 r1 {2,S} {4,D} -4 C u0 {3,D} +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 C ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 46, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C", group = """ -1 * H u1 r0 -2 * C u1 r0 {3,S} -3 C u0 r1 {2,S} {4,D} -4 C u0 r1 {3,D} {5,[S,D,T,B]} -5 C ux r1 {4,[S,D,T,B]} {6,S} -6 C u0 r1 {5,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 47, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C", group = """ -1 * H u1 r0 -2 * C u1 r0 {3,S} -3 C u0 r1 {2,S} {4,D} -4 C u0 r1 {3,D} {5,[S,D,T,B]} -5 C ux r1 {4,[S,D,T,B]} {6,[B,D,T]} -6 C u0 r1 {5,[B,D,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,S} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 48, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux r0 {2,S} {4,D} -4 C ux {3,D} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,S} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 49, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux {2,S} {4,[B,S,T]} -4 C ux {3,[B,S,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,S} {7,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 50, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_Sp-4R!H-3C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R_Ext-4C-R", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux {2,S} {4,S} -4 C ux {3,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,S} {7,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 51, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-2C-R", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux {2,S} {4,[B,T]} -4 C ux {3,[B,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,S} {6,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,S} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 52, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_3C-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C", group = """ -1 * H u1 r0 -2 * C u1 r0 {3,S} -3 C u0 r1 {2,S} {4,[B,T]} -4 C u0 {3,[B,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,D} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,D} {5,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 53, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C_Ext-4C-R", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux r0 {2,S} {4,T} -4 C ux {3,T} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,D} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 F ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 54, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing_Ext-4R!H-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C", group = """ -1 * H u1 -2 * C u1 r0 {3,S} -3 C ux r0 {2,S} {4,T} -4 C ux r0 {3,T} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,S} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,S} """, kinetics = None, ) entry( index = 55, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_N-Sp-3C-2CN", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C_Ext-2C-R", group = """ -1 * H u1 r0 -2 * C u1 r0 {3,T} -3 C u0 {2,T} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,S} {5,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,S} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 56, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_N-3R!H->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_N-Sp-4C-2C", group = """ 1 * H u1 -2 * C u1 r0 {3,[B,S,T]} -3 S ux {2,[B,S,T]} +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,D} +3 F ux {2,[S,D,T,B,Q]} +4 C ux {2,D} """, kinetics = None, ) entry( index = 57, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C", group = """ -1 * H u1 -2 * O u1 r0 +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 58, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C_Ext-2C-R", group = """ -1 * H u1 r0 -2 * C u1 r0 +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 59, - label = "Root_N-1R->H", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F", group = """ -1 * [O,S,C,N] u1 -2 * R u1 +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 [C,O,Si,S,N,P,I,Br,Cl] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 60, - label = "Root_N-1R->H_1CNOS->N", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C", group = """ -1 * N u1 -2 * R u1 +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 61, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R", group = """ -1 * N u1 -2 * R u1 {3,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux {2,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 62, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_3C-inRing", group = """ -1 * N u1 -2 * R u1 {3,[S,D,T,B]} -3 R!H u0 {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 63, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing", group = """ -1 * N u1 r0 -2 * C u1 r0 {3,[S,D,T,B]} -3 R!H u0 {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 64, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R", group = """ -1 * N u1 -2 * [O,N] u1 {3,S} -3 R!H u0 {2,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 65, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R", group = """ -1 * N u1 -2 * [O,N] u1 {3,S} -3 C u0 {2,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 66, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", group = """ -1 * N u1 r0 {4,[S,D,T,B]} -2 * [O,N] u1 r0 {3,S} -3 C u0 {2,S} -4 R!H ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 67, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R", group = """ -1 * N u1 -2 * [O,N] u1 {3,S} -3 [O,N] u0 {2,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 68, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R", group = """ -1 * N u1 {4,[S,D]} -2 * [O,N] u1 {3,S} -3 [O,N] u0 {2,S} -4 O u0 {1,[S,D]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 69, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R", group = """ -1 * N u1 {4,[S,D]} -2 * O u1 {3,S} -3 [O,N] u0 r0 {2,S} -4 O u0 r0 {1,[S,D]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {4,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 70, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R", group = """ -1 * N u1 {4,[S,D]} -2 * N u1 {3,S} -3 [O,N] u0 r0 {2,S} -4 O u0 r0 {1,[S,D]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +11 R!H ux {4,[S,D,T,B,Q]} {13,[S,D,T,B,Q]} +12 R!H ux {10,[S,D,T,B,Q]} +13 R!H ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 71, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-11R!H-R", group = """ -1 * N u1 -2 * O u1 {3,S} -3 O u1 {2,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} +11 R!H ux {4,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 72, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R", group = """ -1 * N u1 r0 {4,[S,D,T,B]} -2 * O u1 r0 {3,S} -3 O u1 {2,S} -4 R!H ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 73, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R", group = """ -1 * N u1 {3,[S,D,T,B]} -2 * R u1 -3 R!H ux {1,[S,D,T,B]} +1 * H u1 r0 +2 * C u1 r0 {3,S} {4,S} +3 C u0 r0 {2,S} {5,S} +4 C u0 r0 {2,S} {10,[S,D,T,B,Q]} +5 C u0 r0 {3,S} {6,S} +6 C u0 r0 {5,S} {7,S} +7 C u0 r0 {6,S} {8,S} +8 C u0 r0 {7,S} {9,S} +9 C u0 r0 {8,S} +10 C ux {4,[S,D,T,B,Q]} {11,S} +11 C u0 r0 {10,S} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 74, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Sp-3C=2C", group = """ -1 * N u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -2 * R u1 -3 R!H ux {1,[S,D,T,B]} -4 R!H ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,D} {4,[S,D,T,B,Q]} +3 C ux r0 {2,D} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 75, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C", group = """ -1 * N u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -2 * C u1 -3 R!H ux {1,[S,D,T,B]} -4 R!H ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} +3 C ux r0 {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 76, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_N-2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R", group = """ -1 * N u1 r0 {3,[S,D,T,B]} {4,[S,D,T,B]} -2 * O u1 r0 -3 R!H ux {1,[S,D,T,B]} -4 R!H ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} +3 C ux r0 {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 77, - label = "Root_N-1R->H_N-1CNOS->N", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R_Ext-2C-R", group = """ -1 * [O,C,S] u1 -2 * R u1 +1 * H u1 +2 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 C ux r0 {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 78, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-3C-R", group = """ -1 * O u1 -2 * R u1 +1 * H u1 +2 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} +3 C ux r0 {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 79, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * R u1 -3 R!H ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} {4,S} +3 C ux r0 {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,S} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 80, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C_Ext-2C-R", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * R u1 {4,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} {4,S} {6,[S,D,T,B,Q]} +3 C ux r0 {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,S} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 81, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_N-Sp-4R!H-2C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,[S,D,T,B]} -3 O ux {1,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} {4,D} +3 C ux r0 {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,D} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 82, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,[S,D,T,B]} {6,[S,D,T,B]} -3 O ux {1,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} {5,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} -6 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 83, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-4R!H-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H", group = """ -1 * O u1 r0 {3,[S,D,T,B]} -2 * C u1 {4,[S,D,T,B]} {6,[S,D,T,B]} -3 O ux {1,[S,D,T,B]} -4 C u0 {2,[S,D,T,B]} {5,[S,D,T,B]} {7,[S,D,T,B]} -5 R!H ux {4,[S,D,T,B]} -6 R!H u0 {2,[S,D,T,B]} -7 R!H ux {4,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} """, kinetics = None, ) entry( index = 84, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-5R!H-R_Ext-5R!H-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-3C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 {4,[S,D,T,B]} {6,[S,D,T,B]} -3 O u1 r0 {1,S} -4 C u0 {2,[S,D,T,B]} {5,[S,D,T,B]} -5 C u0 {4,[S,D,T,B]} {7,[S,D,T,B]} {8,[S,D,T,B]} -6 R!H u0 {2,[S,D,T,B]} -7 R!H ux {5,[S,D,T,B]} -8 R!H ux {5,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {6,S} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {3,S} """, kinetics = None, ) entry( index = 85, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_2R-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-3C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 r1 {4,B} {6,B} -3 O u1 r0 {1,S} -4 C u0 r1 {2,B} {5,B} -5 C u0 r1 {4,B} -6 C u0 r1 {2,B} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {6,[B,D,T,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,D} +5 R!H ux {4,D} +6 R!H ux {3,[B,D,T,Q]} """, kinetics = None, ) entry( index = 86, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_N-2R-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 r0 {4,[S,D,T,B]} {6,[S,D,T,B]} -3 O ux {1,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} -6 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 87, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_Sp-4R!H-3C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,S} -3 O ux {1,[S,D,T,B]} -4 C ux {2,S} {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} {4,S} +4 R!H ux {3,S} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 88, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_Sp-5R!H-4R!H", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-Sp-4R!H-3C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 {4,S} -3 O u1 r0 {1,S} -4 C u0 {2,S} {5,S} -5 C u0 {4,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r1 {2,[S,D,T,B,Q]} {4,[B,D]} +4 R!H ux {3,[B,D]} {5,[S,T,Q,B]} +5 R!H ux {4,[S,T,Q,B]} """, kinetics = None, ) entry( index = 89, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,S} -3 O ux {1,[S,D,T,B]} -4 C ux {2,S} {5,[B,D,T]} -5 C ux {4,[B,D,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 90, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_4R!H-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 r0 {4,S} -3 O ux {1,[S,D,T,B]} -4 C ux r1 {2,S} {5,[B,D,T]} -5 C ux {4,[B,D,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 91, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_N-4R!H-inRing", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 r0 {4,S} -3 O ux {1,[S,D,T,B]} -4 C ux r0 {2,S} {5,[B,D,T]} -5 C ux {4,[B,D,T]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 92, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_N-Sp-4R!H-2R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 r0 {4,[B,D]} -3 O ux {1,[S,D,T,B]} -4 C ux {2,[B,D]} {5,[S,D,T,B]} -5 C ux {4,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 93, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_Sp-4C=3C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,D} +4 C ux {3,D} """, kinetics = None, ) entry( index = 94, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_4R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 {4,[S,D,T,B]} {5,S} -3 R!H ux r0 {1,S} -4 O u0 {2,[S,D,T,B]} -5 C u0 r0 {2,S} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,[S,T]} +4 C ux {3,[S,T]} """, kinetics = None, ) entry( index = 95, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {1,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,S} +4 C ux {3,S} """, kinetics = None, ) entry( index = 96, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C_Ext-4C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R", group = """ -1 * O u1 {3,S} -2 * C u1 {4,[S,D,T,B]} {5,[S,D,T,B]} {6,[S,D,T,B]} -3 R!H ux {1,S} -4 C u0 {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,S} +4 C ux {3,S} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +12 R!H ux {11,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 97, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 {4,[S,D,T,B]} {5,[S,D,T,B]} {6,[S,D,T,B]} -3 O ux r0 {1,S} -4 C u0 {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,T} +4 C ux {3,T} """, kinetics = None, ) entry( index = 98, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_N-3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C_Ext-4C-R", group = """ -1 * O u1 r0 {3,S} -2 * C u1 {4,[S,D,T,B]} {5,[S,D,T,B]} {6,[S,D,T,B]} -3 C ux r0 {1,S} -4 C u0 {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 R!H ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,T} +4 C ux {3,T} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 99, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,[S,D,T,B]} {5,[S,D,T,B]} -3 O ux {1,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 C ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,D} +3 C ux r0 {2,D} {4,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 100, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_N-3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C_Ext-3C-R", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * C u1 {4,[S,D,T,B]} {5,[S,D,T,B]} -3 C ux {1,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 C ux {2,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,D} +3 C ux r0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 C ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 101, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C", group = """ -1 * O u1 {3,S} -2 * R u1 {4,S} -3 R!H ux {1,S} -4 C u0 {2,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 C ux r0 {2,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 102, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 r0 {4,S} -3 O u1 r0 {1,S} -4 C u0 r0 {2,S} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 103, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_N-2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R", group = """ -1 * O u1 r0 {3,S} -2 * O u1 {4,S} -3 R!H ux r0 {1,S} -4 C u0 {2,S} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 104, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R_Ext-3C-R", group = """ -1 * O u1 {3,S} -2 * C u1 {4,[B,D]} -3 O u1 {1,S} -4 R!H u0 {2,[B,D]} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 105, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 {4,[B,D]} -3 O u1 r0 {1,S} -4 O u0 {2,[B,D]} +1 * H u1 +2 * C u1 r0 {3,D} +3 C ux r0 {2,D} {4,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 106, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C_Ext-3C-R", group = """ -1 * O u1 r0 {3,S} -2 * C u1 {4,[B,D]} -3 O u1 r0 {1,S} -4 C u0 {2,[B,D]} +1 * H u1 +2 * C u1 r0 {3,D} +3 C ux r0 {2,D} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {3,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 107, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Sp-3C#2C", group = """ -1 * O u1 {3,S} -2 * C u1 -3 R!H ux {1,S} +1 * H u1 +2 * C u1 r0 {3,T} +3 C ux r0 {2,T} """, kinetics = None, ) entry( index = 108, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 r0 -3 O u1 r0 {1,S} +1 * H u1 +2 * C u1 r0 {3,[S,D]} +3 C ux r0 {2,[S,D]} """, kinetics = None, ) entry( index = 109, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_Sp-3C-2C", group = """ -1 * O u1 r0 {3,S} -2 * C u1 -3 [C,N] ux r0 {1,S} +1 * H u1 +2 * C u1 r0 {3,S} +3 C ux r0 {2,S} """, kinetics = None, ) entry( index = 110, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_N-Sp-3C-2C", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * [O,S] u1 -3 R!H ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,D} +3 C ux r0 {2,D} """, kinetics = None, ) entry( index = 111, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_3R!H->N", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C", group = """ -1 * O u1 r0 {3,S} -2 * [O,S] u1 -3 N ux r0 {1,S} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 [O,S,Cl] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 112, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3ClOS->S", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * [O,S] u1 -3 [O,C] ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 S ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 113, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * O u1 r0 -3 [O,C] ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 [O,Cl] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 114, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_N-2OS->O", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_3ClO->O", group = """ -1 * O u1 {3,[S,D,T,B]} -2 * S u1 r0 -3 [O,C] ux {1,[S,D,T,B]} +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 O ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 115, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O", group = """ -1 * O u1 -2 * C u1 +1 * H u1 +2 * C u1 r0 {3,[S,D,T,B,Q]} +3 Cl ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 116, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O_Ext-2C-R", group = """ -1 * O u1 r0 -2 * C u1 {3,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} +1 * H u1 r0 +2 * C u1 r0 {3,S} {4,S} +3 Cl u0 r0 {2,S} +4 Cl u0 r0 {2,S} """, kinetics = None, ) entry( index = 117, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C", + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_N-2CH->C", group = """ -1 * O u1 -2 * [O,S] u1 r0 +1 * H u1 +2 * H u1 r0 """, kinetics = None, ) entry( index = 118, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O", + label = "Root_N-1R->H", group = """ -1 * [C,S] u1 -2 * R u1 +1 * [C,O,Si,S,N,P,F,I,Br,Cl] u1 +2 * R u1 """, kinetics = None, ) entry( index = 119, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C", + label = "Root_N-1R->H_1BrCClFINOPSSi->N", group = """ -1 * C u1 +1 * N u1 2 * R u1 """, kinetics = None, @@ -1596,1159 +1697,3422 @@ entry( index = 120, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R", group = """ -1 * C u1 r1 -2 * C u1 +1 * N u1 +2 * R u1 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 121, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0", group = """ -1 * C u1 r1 {3,S} -2 * C u1 -3 C ux {1,S} +1 * N u1 +2 * R u1 {3,[S,D,T,B,Q]} +3 R!H u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 122, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_2R->C", group = """ -1 * C u1 r1 {3,S} -2 * C u1 r1 -3 C ux r1 {1,S} +1 * N u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 R!H u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 123, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C", group = """ -1 * C u1 r1 {3,S} -2 * C u1 r0 -3 C u0 {1,S} +1 * N u1 +2 * [O,N] u1 {3,[S,D,T,B,Q]} +3 R!H u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 124, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C", group = """ -1 * C u1 r1 {3,S} -2 * C u1 r0 {4,[S,D,T,B]} -3 C u0 r1 {1,S} -4 R!H ux {2,[S,D,T,B]} +1 * N u1 +2 * [O,N] u1 {3,[S,D,T,B,Q]} +3 C u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 125, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R", group = """ -1 * C u1 r1 {3,[B,D,T]} -2 * C u1 -3 C ux {1,[B,D,T]} +1 * N u1 {4,[S,D,T,B,Q]} +2 * [O,N] u1 {3,[S,D,T,B,Q]} +3 C u0 {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 126, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C", group = """ -1 * C u1 r1 {3,[B,D,T]} -2 * C u1 {4,[S,D,T,B]} -3 C ux {1,[B,D,T]} -4 C ux {2,[S,D,T,B]} +1 * N u1 +2 * [O,N] u1 {3,[S,D,T,B,Q]} +3 [O,N] u0 {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 127, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_2R-inRing", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R", group = """ -1 * C u1 r1 {3,B} -2 * C u1 r1 {4,[S,D,T,B]} -3 C u0 r1 {1,B} -4 C u0 {2,[S,D,T,B]} +1 * N u1 {4,[S,D,T,B,Q]} +2 * [O,N] u1 {3,[S,D,T,B,Q]} +3 [O,N] u0 {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 128, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O", group = """ -1 * C u1 r1 {3,[B,D,T]} -2 * C u1 r0 {4,[S,D,T,B]} -3 C ux {1,[B,D,T]} -4 C ux {2,[S,D,T,B]} +1 * N u1 {4,[S,D,T,B,Q]} +2 * O u1 {3,[S,D,T,B,Q]} +3 [O,N] u0 {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 129, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O", group = """ -1 * C u1 r1 {3,[B,D,T]} -2 * C u1 r0 {4,S} -3 C ux r1 {1,[B,D,T]} -4 C ux r0 {2,S} +1 * N u1 {4,[S,D,T,B,Q]} +2 * N u1 {3,[S,D,T,B,Q]} +3 [O,N] u0 {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 130, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0", group = """ -1 * C u1 r1 {3,[B,D,T]} -2 * C u1 r0 {4,[B,D]} -3 C ux r1 {1,[B,D,T]} -4 C ux r0 {2,[B,D]} +1 * N u1 +2 * R u1 {3,[S,D,T,B,Q]} +3 R!H u[1,2,3] {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 131, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R", group = """ -1 * C u1 r0 -2 * R u1 +1 * N u1 {4,[S,D,T,B,Q]} +2 * R u1 {3,[S,D,T,B,Q]} +3 R!H u[1,2,3] {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 132, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R", group = """ -1 * C u1 r0 -2 * R u1 {3,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} +1 * N u1 {3,[S,D,T,B,Q]} +2 * R u1 +3 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 133, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R", group = """ -1 * C u1 r0 -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} +1 * N u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * R u1 +3 R!H ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 134, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_2R->C", group = """ -1 * C u1 r0 -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} +1 * N u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * C u1 +3 R!H ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 135, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R", + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_N-2R->C", group = """ -1 * C u1 r0 {6,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 * N u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * O u1 r0 +3 R!H ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 136, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N", group = """ -1 * C u1 r0 {6,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 C ux {1,[S,D,T,B]} +1 * [C,O,S,F,Br,Cl] u1 +2 * R u1 """, kinetics = None, ) entry( index = 137, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl", group = """ -1 * C u1 r0 {6,[S,D,T,B]} {7,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 C ux {1,[S,D,T,B]} -7 R!H ux {1,[S,D,T,B]} +1 * Cl u1 +2 * R u1 """, kinetics = None, ) entry( index = 138, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C", group = """ -1 * C u1 r0 {6,[S,D,T,B]} {7,[S,D,T,B]} {8,[S,D,T,B]} -2 * C u1 r0 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 C u0 r0 {1,[S,D,T,B]} -7 R!H ux {1,[S,D,T,B]} -8 R!H ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 """, kinetics = None, ) entry( index = 139, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_7R!H->O", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R", group = """ -1 * C u1 r0 {6,[S,D,T,B]} {7,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 C ux {1,[S,D,T,B]} -7 O ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 140, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_N-7R!H->O", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F", group = """ -1 * C u1 r0 {6,[S,D,T,B]} {7,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 C ux {1,[S,D,T,B]} -7 C ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 141, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-6C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R", group = """ -1 * C u1 r0 {6,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 C ux {1,[S,D,T,B]} {7,[S,D,T,B]} -7 R!H ux {6,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 142, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_N-6R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->Cl", group = """ -1 * C u1 r0 {6,[S,D,T,B]} -2 * C u1 r0 {3,[S,D,T,B]} {4,[S,D,T,B]} {5,[S,D,T,B]} -3 R!H ux {2,[S,D,T,B]} -4 R!H ux {2,[S,D,T,B]} -5 R!H ux {2,[S,D,T,B]} -6 [O,Cl,Si,N,S] u0 r0 {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 Cl ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 143, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl", group = """ -1 * C u1 r0 -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 O ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 [C,O,Si,S,N,P,F,I,Br] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 144, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_4BrCFINOPSSi->O", group = """ -1 * C u1 r0 {5,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 O ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 R!H ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 O ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 145, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O", group = """ -1 * C u1 r0 {5,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 O ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 C ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 [F,Br] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 146, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O_Ext-2C-R", group = """ -1 * C u1 r0 {5,[S,D,T,B]} {6,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 O ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 C ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 F ux {2,[S,D,T,B,Q]} +4 [F,Br] ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 147, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F", group = """ -1 * C u1 r0 {5,[S,D,T,B]} {6,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 O ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 C ux {1,[S,D,T,B]} -6 C ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 [C,O,Si,S,N,P,I,Br,Cl] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 148, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C", group = """ -1 * C u1 r0 {5,[S,D,T,B]} {6,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 O ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 C u0 r0 {1,[S,D,T,B]} -6 [O,Cl,Si,N,S] u0 r0 {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 149, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_N-5R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C", group = """ -1 * C u1 r0 {5,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 O ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 [O,Cl,Si,N,S] u0 r0 {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} +3 C ux {2,S} """, kinetics = None, ) entry( index = 150, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R", group = """ -1 * C u1 r0 -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} +3 C ux {2,S} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 151, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R", group = """ -1 * C u1 r0 -2 * C u1 r0 {3,S} {4,S} -3 C u0 r0 {2,S} {5,[S,D,T,B]} -4 C u0 r0 {2,S} -5 R!H ux {3,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} +3 C ux {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 152, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R", group = """ -1 * C u1 r0 {5,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 R!H ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} +3 C ux {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 153, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_5R!H->F", group = """ -1 * C u1 r0 {5,S} -2 * C u1 r0 {3,S} {4,S} -3 C u0 r0 {2,S} -4 C u0 r0 {2,S} -5 C u0 r0 {1,S} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} +3 C ux {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 F ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 154, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_N-5R!H->F", group = """ -1 * C u1 r0 {5,[S,D,T,B]} {6,[S,D,T,B]} -2 * C u1 {3,[S,D,T,B]} {4,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} -4 C ux {2,[S,D,T,B]} -5 R!H ux {1,[S,D,T,B]} -6 R!H ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} +3 C ux {2,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 Cl ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} +7 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 155, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-2C-R", group = """ -1 * C u1 r0 -2 * C u1 {3,[S,D,T,B]} -3 C ux {2,[S,D,T,B]} {4,[S,D,T,B]} -4 C ux {3,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 C ux {2,S} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 156, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-2C-R", group = """ -1 * C u1 r0 -2 * C u1 {3,D} -3 C ux {2,D} {4,D} -4 C ux {3,D} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 C ux {2,S} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 157, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_4R!H->C", group = """ -1 * C u1 r0 {5,[S,D,T,B]} -2 * C u1 {3,D} -3 C ux {2,D} {4,D} -4 C ux {3,D} -5 C ux {1,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} +3 C ux {2,S} +4 C ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 158, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_N-4R!H->C", group = """ -1 * C u1 r0 {5,S} -2 * C u1 {3,D} -3 C ux {2,D} {4,D} -4 C ux {3,D} -5 C ux {1,S} +1 * Cl u1 +2 * C u1 {3,S} {4,[S,D,T,B,Q]} +3 C ux {2,S} +4 Cl ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 159, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_5R!H-inRing", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-3C-R", group = """ -1 * C u1 r0 {5,S} -2 * C u1 {3,D} -3 C ux r0 {2,D} {4,D} -4 C ux r0 {3,D} -5 C ux r1 {1,S} +1 * Cl u1 +2 * C u1 {3,S} +3 C ux {2,S} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 160, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_N-5R!H-inRing", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C", group = """ -1 * C u1 r0 {5,S} -2 * C u1 {3,D} -3 C ux r0 {2,D} {4,D} -4 C ux r0 {3,D} -5 C ux r0 {1,S} +1 * Cl u1 +2 * C u1 {3,D} +3 C ux {2,D} """, kinetics = None, ) entry( index = 161, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_N-Sp-5R!H-1C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R", group = """ -1 * C u1 r0 {5,[B,D,T]} -2 * C u1 r0 {3,D} -3 C u0 r0 {2,D} {4,D} -4 C u0 r0 {3,D} -5 C u0 r0 {1,[B,D,T]} +1 * Cl u1 +2 * C u1 {3,D} {4,[S,D,T,B,Q]} +3 C ux {2,D} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 162, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R", group = """ -1 * C u1 r0 -2 * C u1 {3,[S,T]} -3 C ux {2,[S,T]} {4,[S,D,T,B]} -4 C ux {3,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,D} {4,[S,D,T,B,Q]} +3 C ux {2,D} {5,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 163, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R", group = """ -1 * C u1 r0 -2 * C u1 {3,[S,T]} -3 C ux {2,[S,T]} {4,D} -4 C ux {3,D} +1 * Cl u1 +2 * C u1 {3,D} {4,[S,D,T,B,Q]} +3 C ux {2,D} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +6 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 164, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-3C-R", group = """ -1 * C u1 r0 {5,S} -2 * C u1 {3,[S,T]} -3 C ux {2,[S,T]} {4,D} -4 C ux {3,D} -5 C u0 {1,S} +1 * Cl u1 +2 * C u1 {3,D} +3 C ux {2,D} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 165, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C", group = """ -1 * C u1 r0 {5,S} -2 * C u1 {3,[S,T]} -3 C ux {2,[S,T]} {4,D} -4 C ux {3,D} -5 C u0 r0 {1,S} {6,[S,D,T,B]} -6 R!H ux {5,[S,D,T,B]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 [O,Cl,Br] ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 166, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3BrClO->O", group = """ -1 * C u1 r0 -2 * C u1 {3,S} -3 C u0 {2,S} {4,[B,T]} -4 C u0 {3,[B,T]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 O ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 167, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_3R!H-inRing", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O", group = """ -1 * C u1 r0 -2 * C u1 r0 {3,S} -3 C u0 r1 {2,S} {4,[B,T]} -4 C u0 {3,[B,T]} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 Cl ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 168, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_N-3R!H-inRing", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R", group = """ -1 * C u1 r0 -2 * C u1 r0 {3,S} -3 C u0 r0 {2,S} {4,T} -4 C u0 {3,T} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +3 Cl ux {2,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 169, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R_Ext-2C-R", group = """ -1 * C u1 r0 -2 * R u1 {3,S} -3 R!H ux {2,S} +1 * Cl u1 +2 * C u1 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 Cl ux {2,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 170, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_N-2R->C", group = """ -1 * C u1 r0 -2 * R u1 {3,S} -3 C ux {2,S} +1 * Cl u1 +2 * [O,S,F,Br,Cl] u1 """, kinetics = None, ) entry( index = 171, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl", group = """ -1 * C u1 r0 -2 * C u1 {3,S} -3 C ux {2,S} +1 * [C,O,S,F,Br] u1 +2 * R u1 """, kinetics = None, ) entry( index = 172, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O", group = """ -1 * C u1 r0 {4,[S,D,T,B]} -2 * C u1 {3,S} -3 C ux {2,S} -4 R!H u0 {1,[S,D,T,B]} +1 * O u1 +2 * R u1 """, kinetics = None, ) entry( index = 173, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_4R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R", group = """ -1 * C u1 r0 {4,S} -2 * C u1 r0 {3,S} -3 C u0 r0 {2,S} -4 C u0 r0 {1,S} +1 * O u1 {3,[S,D,T,B,Q]} +2 * R u1 +3 R!H ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 174, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_N-4R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O", group = """ -1 * C u1 r0 {4,[S,D,T,B]} -2 * C u1 {3,S} -3 C ux r0 {2,S} -4 [O,Cl,Si,N,S] u0 r0 {1,[S,D,T,B]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * R u1 +3 O ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 175, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C", group = """ -1 * C u1 r0 -2 * S u1 {3,S} -3 C ux {2,S} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 +3 O ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 176, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing", group = """ -1 * C u1 r0 {4,[S,D,T,B]} -2 * S u1 {3,S} -3 C ux {2,S} -4 R!H ux {1,[S,D,T,B]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r1 +3 O ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 177, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-4R!H-R", group = """ -1 * C u1 r0 {4,[S,D,T,B]} {5,[S,D,T,B]} -2 * S u1 {3,S} -3 C ux r0 {2,S} -4 R!H ux {1,[S,D,T,B]} -5 R!H ux {1,[S,D,T,B]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r1 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 178, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", group = """ -1 * C u1 r0 -2 * S u1 {3,S} -3 S ux {2,S} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r1 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 179, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing", group = """ -1 * C u1 r0 {4,[S,D,T,B]} -2 * S u1 {3,S} -3 S ux r0 {2,S} -4 R!H ux {1,[S,D,T,B]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 +3 O ux {1,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 180, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R", group = """ -1 * C u1 r0 -2 * C u1 {3,[D,T]} -3 R!H ux {2,[D,T]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 181, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R", group = """ -1 * C u1 r0 -2 * C u1 {3,[D,T]} -3 O u0 {2,[D,T]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 182, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H", group = """ -1 * C u1 r0 {4,D} -2 * C u1 {3,[D,T]} -3 O u0 {2,[D,T]} -4 R!H u0 {1,D} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} """, kinetics = None, ) entry( index = 183, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_4R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-2C-R", group = """ -1 * C u1 r0 {4,D} -2 * C u1 r0 {3,[D,T]} -3 O u0 {2,[D,T]} -4 C u0 r0 {1,D} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {5,S} +5 R!H ux {4,S} +6 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 184, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_N-4R!H->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", group = """ -1 * C u1 r0 {4,D} -2 * C u1 r0 {3,[D,T]} -3 O u0 {2,[D,T]} -4 [O,Cl,Si,N,S] u0 r0 {1,D} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 185, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C", group = """ -1 * C u1 r0 -2 * C u1 {3,[D,T]} -3 C ux {2,[D,T]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 186, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_Sp-3CCSS#2R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_4R!H-inRing", group = """ -1 * C u1 r0 -2 * C u1 {3,T} -3 C ux r0 {2,T} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux r1 {2,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 187, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_N-4R!H-inRing", group = """ -1 * C u1 r0 -2 * C u1 {3,D} -3 C u0 {2,D} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux r0 {2,S} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 188, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R_Ext-1C-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-4R!H-2C", group = """ -1 * C u1 r0 {4,[S,D,T,B]} -2 * C u1 r0 {3,D} -3 C u0 {2,D} -4 R!H ux {1,[S,D,T,B]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,D} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,D} {5,[B,D,T,Q]} +5 R!H ux {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 189, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C", group = """ -1 * S u1 -2 * S u1 +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,S} """, kinetics = None, ) entry( index = 190, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C_Ext-1S-R", + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R", group = """ -1 * S u1 r0 {3,[S,D,T,B]} -2 * S u1 r0 -3 R!H ux {1,[S,D,T,B]} +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} {5,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,S} +5 R!H ux {2,[S,D,T,B,Q]} """, kinetics = None, ) -tree( +entry( + index = 191, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C", + group = """ -L1: Root - L2: Root_1R->H - L3: Root_1R->H_2R->S - L4: Root_1R->H_2R->S_Ext-2S-R - L3: Root_1R->H_N-2R->S - L4: Root_1R->H_N-2R->S_2CHNO->H - L4: Root_1R->H_N-2R->S_N-2CHNO->H - L5: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing - L6: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H - L7: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO - L8: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_Sp-5R!H-=4R!H - L8: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H - L9: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H_Ext-3R!H-R - L7: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R - L6: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H - L7: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R - L8: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R_Ext-2CNO-R - L7: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R - L7: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R - L8: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_Sp-3R!H-=2CNO - L8: Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_N-Sp-3R!H-=2CNO - L5: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing - L6: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R - L7: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO - L8: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O - L8: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O - L9: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R - L10: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R_Ext-3CS-R - L9: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R - L10: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_2CNO->N - L10: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_N-2CNO->N - L7: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO - L8: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O - L9: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O - L9: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O - L8: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O - L9: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R - L10: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R - L11: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R - L10: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R - L11: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R - L9: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C - L10: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN - L11: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R - L12: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C - L13: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing - L14: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H - L14: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H - L13: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing - L12: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C - L13: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_Sp-4R!H-3C - L13: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C - L14: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_3C-inRing - L14: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing - L15: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing_Ext-4R!H-R - L10: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_N-Sp-3C-2CN - L9: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_N-3R!H->C - L6: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O - L6: Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O - L2: Root_N-1R->H - L3: Root_N-1R->H_1CNOS->N - L4: Root_N-1R->H_1CNOS->N_Ext-2R-R - L5: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0 - L6: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_2R->C - L6: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C - L7: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C - L8: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R - L7: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C - L8: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R - L9: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O - L9: Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O - L5: Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0 - L6: Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R - L4: Root_N-1R->H_1CNOS->N_Ext-1N-R - L5: Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R - L6: Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_2R->C - L6: Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_N-2R->C - L3: Root_N-1R->H_N-1CNOS->N - L4: Root_N-1R->H_N-1CNOS->N_1COS->O - L5: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R - L6: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-4R!H-R - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-5R!H-R_Ext-5R!H-R - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_2R-inRing - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_N-2R-inRing - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_Sp-5R!H-4R!H - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H - L10: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_4R!H-inRing - L10: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_N-4R!H-inRing - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_N-Sp-4R!H-2R - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_4R!H->O - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R - L10: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_3R!H->O - L10: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_N-3R!H->O - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_3R!H->O - L9: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_N-3R!H->O - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_N-2R->C - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O - L6: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O - L6: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_3R!H->N - L7: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O - L8: Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_N-2OS->O - L5: Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C - L6: Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R - L5: Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C - L4: Root_N-1R->H_N-1CNOS->N_N-1COS->O - L5: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C - L6: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing - L7: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C - L8: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing - L8: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R - L7: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C - L8: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_2R-inRing - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R - L6: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing - L7: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R - L8: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R - L13: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-1C-R - L13: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_7R!H->O - L13: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_N-7R!H->O - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-6C-R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_N-6R!H->C - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R - L13: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C - L13: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_N-5R!H->C - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-1C-R - L8: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_5R!H-inRing - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_N-5R!H-inRing - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_N-Sp-5R!H-1C - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_3R!H-inRing - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_N-3R!H-inRing - L8: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_4R!H->C - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_N-4R!H->C - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R - L12: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R_Ext-1C-R - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C_Ext-1C-R - L8: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_4R!H->C - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_N-4R!H->C - L9: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_Sp-3CCSS#2R - L10: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R - L11: Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R_Ext-1C-R - L5: Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C - L6: Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C_Ext-1S-R +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} {5,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,S} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 192, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C_Ext-2C-R", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,S} +5 C ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 193, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_N-5R!H->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,S} {5,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,S} +5 [O,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 194, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,D} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,D} +""", + kinetics = None, +) + +entry( + index = 195, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,D} +3 O ux {1,[S,D,T,B,Q]} +4 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 196, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 r0 {4,D} +3 O ux {1,[S,D,T,B,Q]} +4 O ux {2,D} +""", + kinetics = None, +) + +entry( + index = 197, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_N-2R->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * [O,S] u1 +3 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 198, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * R u1 +3 [C,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 199, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * R u1 {4,[S,D,T,B,Q]} +3 [C,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 200, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 {4,[S,D,T,B,Q]} +3 [C,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 201, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C_Ext-2C-R_Ext-2C-R", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 [C,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 202, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_N-2R->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * O u1 {4,[S,D,T,B,Q]} +3 [C,Si,S,N,P,F,I,Br,Cl] ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 203, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * R u1 +3 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 204, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_2R->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * C u1 +3 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 205, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_N-2R->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * O u1 +3 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 206, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_N-3BrCClFINPSSi->C", + group = +""" +1 * O u1 {3,[S,D,T,B,Q]} +2 * R u1 +3 N ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 207, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C", + group = +""" +1 * O u1 +2 * C u1 +""", + kinetics = None, +) + +entry( + index = 208, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C_Ext-2C-R", + group = +""" +1 * O u1 +2 * C u1 {3,[S,D,T,B,Q]} +3 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 209, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_N-2R->C", + group = +""" +1 * O u1 +2 * [O,S] u1 +""", + kinetics = None, +) + +entry( + index = 210, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O", + group = +""" +1 * [F,C,S,Br] u1 +2 * R u1 +""", + kinetics = None, +) + +entry( + index = 211, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing", + group = +""" +1 * [F,C,S,Br] u1 r1 +2 * R u1 +""", + kinetics = None, +) + +entry( + index = 212, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,S} +2 * R u1 +3 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 213, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_2R-inRing", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,S} +2 * R u1 r1 +3 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 214, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,S} +2 * R u1 r0 +3 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 215, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing_Ext-2R-R", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,S} +2 * R u1 r0 {4,[S,D,T,B,Q]} +3 R!H ux {1,S} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 216, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,[B,D,T,Q]} +2 * R u1 +3 R!H ux {1,[B,D,T,Q]} +""", + kinetics = None, +) + +entry( + index = 217, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,[B,D,T,Q]} +2 * R u1 {4,[S,D,T,B,Q]} +3 R!H ux {1,[B,D,T,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 218, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_2R-inRing", + group = +""" +1 * C u1 r1 {3,B} +2 * C u1 r1 {4,B} +3 C u0 r1 {1,B} +4 C u0 r1 {2,B} +""", + kinetics = None, +) + +entry( + index = 219, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,[B,D,T,Q]} +2 * R u1 r0 {4,[S,D,T,B,Q]} +3 R!H ux {1,[B,D,T,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 220, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,[B,D,T,Q]} +2 * R u1 r0 {4,S} +3 R!H ux {1,[B,D,T,Q]} +4 R!H ux {2,S} +""", + kinetics = None, +) + +entry( + index = 221, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R", + group = +""" +1 * [F,C,S,Br] u1 r1 {3,[B,D,T,Q]} +2 * R u1 r0 {4,[B,D]} +3 R!H ux {1,[B,D,T,Q]} +4 R!H ux {2,[B,D]} +""", + kinetics = None, +) + +entry( + index = 222, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing", + group = +""" +1 * [F,C,S,Br] u1 r0 +2 * R u1 +""", + kinetics = None, +) + +entry( + index = 223, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C", + group = +""" +1 * C u1 r0 +2 * R u1 +""", + kinetics = None, +) + +entry( + index = 224, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S", + group = +""" +1 * C u1 r0 +2 * S u1 +""", + kinetics = None, +) + +entry( + index = 225, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C", + group = +""" +1 * C u1 r0 +2 * S u1 {3,[S,D,T,B,Q]} +3 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 226, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R", + group = +""" +1 * C u1 r0 {4,[S,D,T,B,Q]} +2 * S u1 {3,[S,D,T,B,Q]} +3 C ux {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 227, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * S u1 {3,[S,D,T,B,Q]} +3 C ux {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 228, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C", + group = +""" +1 * C u1 r0 +2 * S u1 {3,[S,D,T,B,Q]} +3 [O,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 229, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C_Ext-1C-R", + group = +""" +1 * C u1 r0 {4,[S,D,T,B,Q]} +2 * S u1 {3,[S,D,T,B,Q]} +3 [O,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 230, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S", + group = +""" +1 * C u1 r0 +2 * [C,F,Br] u1 +""", + kinetics = None, +) + +entry( + index = 231, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br", + group = +""" +1 * C u1 r0 +2 * Br u1 +""", + kinetics = None, +) + +entry( + index = 232, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * Br u1 +3 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 233, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Ext-3R!H-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * Br u1 +3 R!H ux {1,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 234, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C", + group = +""" +1 * C u1 r0 {3,S} +2 * Br u1 +3 R!H ux {1,S} +""", + kinetics = None, +) + +entry( + index = 235, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} +2 * Br u1 +3 R!H ux {1,S} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 236, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * Br u1 +3 R!H ux {1,S} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 237, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_3R!H->Cl", + group = +""" +1 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * Br u1 +3 Cl ux {1,S} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 238, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_N-3R!H->Cl", + group = +""" +1 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * Br u1 +3 F ux {1,S} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 239, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_N-Sp-3R!H-1C", + group = +""" +1 * C u1 r0 {3,D} +2 * Br u1 r0 +3 C u0 r0 {1,D} +""", + kinetics = None, +) + +entry( + index = 240, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br", + group = +""" +1 * C u1 r0 +2 * [C,F] u1 +""", + kinetics = None, +) + +entry( + index = 241, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 242, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 243, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 244, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_Ext-4R!H-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 245, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_4R!H->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 O ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 246, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 [C,F,Cl,Br] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 247, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 248, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 249, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 250, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 251, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_6R!H->Cl", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 Cl ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 252, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_N-6R!H->Cl", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 Cl ux {1,[S,D,T,B,Q]} +6 [F,Br] ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 253, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 [C,O,Si,S,N,P,F,I,Br] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 254, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 [C,O,Si,S,N,P,F,I,Br] ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 255, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 Br ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 256, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 Br ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 257, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 258, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 F ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 259, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 F ux {2,[S,D,T,B,Q]} +5 [C,O,Si,S,N,P,F,I,Br] ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 260, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 [C,Cl,Br] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 261, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 [C,Cl,Br] ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 262, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 F ux {1,[S,D,T,B,Q]} +4 [C,Cl,Br] ux {2,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 263, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * C u1 +3 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 264, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * C u1 +3 F ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 265, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * C u1 +3 F ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 266, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_N-2CF->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * F u1 +3 F ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 267, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,O,Si,S,N,P,I,Br,Cl] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 268, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 Cl ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 269, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 270, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 271, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 272, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 273, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {1,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 274, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 275, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 276, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * [C,F] u1 +3 Cl ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 277, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 278, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 279, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 280, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 281, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 282, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_2CF->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * C u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 283, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_N-2CF->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * F u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 284, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 285, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 286, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 O ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 287, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 O ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 288, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 [C,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 289, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 [C,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 290, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 [C,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 291, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 292, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 293, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 294, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 295, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} +8 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 296, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 297, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 298, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 299, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {2,[S,D,T,B,Q]} +7 R!H ux {1,[S,D,T,B,Q]} +8 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 300, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 301, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +2 * C u1 r0 {5,S} +3 C u0 r0 {1,S} +4 R!H ux {1,[S,D,T,B,Q]} +5 C u0 r0 {2,S} +6 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 302, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_N-5R!H->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 C ux {1,[S,D,T,B,Q]} +4 R!H ux {1,[S,D,T,B,Q]} +5 O ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 303, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-1C-R", + group = +""" +1 * C u1 r0 {3,S} {4,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +2 * C u1 r0 +3 C u0 r0 {1,S} +4 R!H ux {1,[S,D,T,B,Q]} +5 R!H ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 304, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,D,T,B,Q]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 305, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C", + group = +""" +1 * C u1 r0 {3,D} +2 * [C,F] u1 +3 [C,Br,O] ux {1,D} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 306, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,D} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,D} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 307, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF", + group = +""" +1 * C u1 r0 {3,D} +2 * [C,F] u1 {5,S} +3 [C,Br,O] ux {1,D} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {2,S} +""", + kinetics = None, +) + +entry( + index = 308, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_5R!H-inRing", + group = +""" +1 * C u1 r0 {3,D} +2 * [C,F] u1 {5,S} +3 [C,Br,O] ux {1,D} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux r1 {2,S} +""", + kinetics = None, +) + +entry( + index = 309, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_N-5R!H-inRing", + group = +""" +1 * C u1 r0 {3,D} +2 * [C,F] u1 {5,S} +3 [C,Br,O] ux {1,D} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 310, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-5R!H-2CF", + group = +""" +1 * C u1 r0 {3,D} +2 * C u1 r0 {5,D} +3 C u0 r0 {1,D} {4,D} +4 C u0 r0 {3,D} +5 C u0 r0 {2,D} +""", + kinetics = None, +) + +entry( + index = 311, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,T]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 312, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R", + group = """ +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, ) -forbidden( - label = "Cl", +entry( + index = 313, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO", group = """ -1 * Cl u1 +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,D} +4 R!H ux {3,D} +5 R!H ux {2,[S,D,T,B,Q]} """, - shortDesc = u"""""", - longDesc = -u""" + kinetics = None, +) + +entry( + index = 314, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO_Ext-5R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,D} +4 R!H ux {3,D} +5 R!H ux {2,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 315, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,[S,T,B]} +4 R!H ux {3,[S,T,B]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 316, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 317, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 318, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 319, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 320, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 321, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R_Ext-9R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {12,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +12 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 322, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-9R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +10 R!H ux {5,[S,D,T,B,Q]} +11 R!H ux {9,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 323, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 324, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,S} +4 R!H ux {3,S} {6,[S,D,T,B,Q]} +5 R!H ux {2,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +6 R!H ux {4,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} +9 R!H ux {5,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 325, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux {1,[S,T]} {4,[B,T]} +4 R!H ux {3,[B,T]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 326, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_3BrCO-inRing", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux r1 {1,[S,T]} {4,[B,T]} +4 R!H ux {3,[B,T]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 327, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_N-3BrCO-inRing", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 {5,[S,D,T,B,Q]} +3 [C,Br,O] ux r0 {1,[S,T]} {4,[B,T]} +4 R!H ux {3,[B,T]} +5 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 328, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,T]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 329, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + group = +""" +1 * C u1 r0 {3,[S,T]} +2 * [C,F] u1 +3 [C,Br,O] ux {1,[S,T]} {4,[S,D,T,B,Q]} +4 R!H ux {3,[S,D,T,B,Q]} {5,[S,D,T,B,Q]} +5 R!H ux {4,[S,D,T,B,Q]} {6,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +7 R!H ux {6,[S,D,T,B,Q]} {8,[S,D,T,B,Q]} +8 R!H ux {7,[S,D,T,B,Q]} {9,[S,D,T,B,Q]} +9 R!H ux {8,[S,D,T,B,Q]} {10,[S,D,T,B,Q]} +10 R!H ux {9,[S,D,T,B,Q]} {11,[S,D,T,B,Q]} +11 R!H ux {10,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 330, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_3BrCO->Br", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 Br ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 331, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 [C,O] ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 332, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 O ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 333, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 334, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 C ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 335, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_Sp-4C-2CF", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,S} +3 O ux {1,[S,D,T,B,Q]} +4 C ux {2,S} +""", + kinetics = None, +) + +entry( + index = 336, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_N-Sp-4C-2CF", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,D} +3 O ux {1,[S,D,T,B,Q]} +4 C ux {2,D} +""", + kinetics = None, +) + +entry( + index = 337, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_N-4R!H->C", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 O ux {1,[S,D,T,B,Q]} +4 [O,Si,S,N,P,F,I,Br,Cl] ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 338, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O", + group = +""" +1 * C u1 r0 {3,[S,D,T,B,Q]} +2 * [C,F] u1 +3 C ux {1,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 339, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C", + group = +""" +1 * C u1 r0 {3,S} +2 * [C,F] u1 +3 C ux {1,S} +""", + kinetics = None, +) + +entry( + index = 340, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,S} +2 * C u1 r0 {4,S} +3 C u0 r0 {1,S} +4 C u0 r0 {2,S} +""", + kinetics = None, +) + +entry( + index = 341, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C", + group = +""" +1 * C u1 r0 {3,[D,T]} +2 * [C,F] u1 +3 C ux {1,[D,T]} +""", + kinetics = None, +) + +entry( + index = 342, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_Sp-3C#1C", + group = +""" +1 * C u1 r0 {3,T} +2 * [C,F] u1 +3 C ux {1,T} +""", + kinetics = None, +) + +entry( + index = 343, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C", + group = +""" +1 * C u1 r0 {3,D} +2 * [C,F] u1 +3 C ux {1,D} +""", + kinetics = None, +) + +entry( + index = 344, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C_Ext-2CF-R", + group = +""" +1 * C u1 r0 {3,D} +2 * [C,F] u1 {4,[S,D,T,B,Q]} +3 C ux {1,D} +4 R!H ux {2,[S,D,T,B,Q]} +""", + kinetics = None, +) + +entry( + index = 345, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C", + group = +""" +1 * [F,S,Br] u1 r0 +2 * R u1 +""", + kinetics = None, +) +entry( + index = 346, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C_Ext-1BrFS-R", + group = +""" +1 * [F,S,Br] u1 r0 {3,[S,D,T,B,Q]} +2 * R u1 +3 R!H ux {1,[S,D,T,B,Q]} """, + kinetics = None, +) + +tree( +""" +L1: Root + L2: Root_1R->H + L3: Root_1R->H_2R->S + L4: Root_1R->H_2R->S_Ext-2S-R + L3: Root_1R->H_N-2R->S + L4: Root_1R->H_N-2R->S_2BrCClFHNO-inRing + L5: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H + L6: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Ext-3R!H-R + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + L6: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing + L8: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing_Ext-3R!H-R + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_N-4R!H-inRing + L6: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_N-Sp-3R!H-2BrCClFHNO + L5: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H + L6: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO + L8: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO_Ext-2BrCClFHNO-R + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO + L8: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO_Ext-4R!H-R + L6: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-3R!H-2BrCClFHNO + L7: Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-3R!H-2BrCClFHNO + L4: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing + L5: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O + L6: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R + L7: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_3R!H->Cl + L7: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl + L8: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_3BrCFINOPSSi->C + L8: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_N-3BrCFINOPSSi->C + L5: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O + L6: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_2CHN->N + L6: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N + L7: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C + L8: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R + L9: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F + L10: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R + L11: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_5R!H->Cl + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_5BrCFINOPSSi->Br + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CF->C + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C + L17: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R + L18: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R + L19: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R_Ext-4C-R + L17: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-2C-R + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C + L17: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C_Ext-4C-R + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C_Ext-2C-R + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_N-Sp-4C-2C + L11: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C_Ext-2C-R + L9: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F + L10: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C + L11: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_3C-inRing + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R + L17: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R + L18: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R + L19: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R + L18: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-11R!H-R + L17: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Sp-3C=2C + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R_Ext-2C-R + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-3C-R + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C_Ext-2C-R + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_N-Sp-4R!H-2C + L11: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-3C + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-3C + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_Sp-4R!H-3C + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-Sp-4R!H-3C + L11: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_Sp-4C=3C + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C + L17: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C_Ext-4C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C + L17: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C_Ext-4C-R + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C_Ext-3C-R + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R + L16: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R_Ext-3C-R + L14: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C + L15: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C_Ext-3C-R + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Sp-3C#2C + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_Sp-3C-2C + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_N-Sp-3C-2C + L10: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C + L11: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3ClOS->S + L11: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_3ClO->O + L12: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O + L13: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O_Ext-2C-R + L7: Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_N-2CH->C + L2: Root_N-1R->H + L3: Root_N-1R->H_1BrCClFINOPSSi->N + L4: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R + L5: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0 + L6: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_2R->C + L6: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C + L7: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C + L8: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R + L7: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C + L8: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R + L9: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O + L9: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O + L5: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0 + L6: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R + L4: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R + L5: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R + L6: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_2R->C + L6: Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_N-2R->C + L3: Root_N-1R->H_N-1BrCClFINOPSSi->N + L4: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl + L5: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C + L6: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->Cl + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_4BrCFINOPSSi->O + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O_Ext-2C-R + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_5R!H->F + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_N-5R!H->F + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-2C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-2C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_4R!H->C + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_N-4R!H->C + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-3C-R + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-3C-R + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3BrClO->O + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R_Ext-2C-R + L5: Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_N-2R->C + L4: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl + L5: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O + L6: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-4R!H-R + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-2C-R + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_4R!H-inRing + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_N-4R!H-inRing + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-4R!H-2C + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C_Ext-2C-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_N-5R!H->C + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_N-2R->C + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C_Ext-2C-R_Ext-2C-R + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_N-2R->C + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_2R->C + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_N-2R->C + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_N-3BrCClFINPSSi->C + L6: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C_Ext-2C-R + L6: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_N-2R->C + L5: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O + L6: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_2R-inRing + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing_Ext-2R-R + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_2R-inRing + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R + L6: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R_Ext-1C-R + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C_Ext-1C-R + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Ext-3R!H-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_3R!H->Cl + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_N-3R!H->Cl + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_N-Sp-3R!H-1C + L9: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br + L10: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_Ext-4R!H-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_4R!H->O + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_6R!H->Cl + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_N-6R!H->Cl + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br + L19: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br_Ext-2CF-R + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br + L19: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br_Ext-1C-R + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-1C-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R_Ext-2CF-R + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R_Ext-1C-R + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_N-2CF->C + L11: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R_Ext-2CF-R + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-2CF-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R_Ext-1C-R + L12: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R_Ext-1C-R + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_2CF->C + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_N-2CF->C + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R_Ext-2CF-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R_Ext-1C-R + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-1C-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C_Ext-1C-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_N-5R!H->C + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-1C-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_5R!H-inRing + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_N-5R!H-inRing + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-5R!H-2CF + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO_Ext-5R!H-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R + L19: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + L20: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R + L21: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R + L22: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R_Ext-9R!H-R + L21: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-9R!H-R + L20: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + L19: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R_Ext-9R!H-R_Ext-10R!H-R + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_3BrCO-inRing + L18: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_N-3BrCO-inRing + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_3BrCO->Br + L13: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_Sp-4C-2CF + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_N-Sp-4C-2CF + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_N-4R!H->C + L14: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C_Ext-2CF-R + L15: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_Sp-3C#1C + L16: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C + L17: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C_Ext-2CF-R + L7: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C + L8: Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C_Ext-1BrFS-R +""" ) forbidden( @@ -2760,9 +5124,9 @@ 3 * O u0 {2,S} {4,S} 4 O u1 {3,S} """, - shortDesc = u"""""", + shortDesc = """""", longDesc = -u""" +""" """, ) diff --git a/input/kinetics/families/R_Recombination/rules.py b/input/kinetics/families/R_Recombination/rules.py index 576a7900f4..f52865b1d8 100644 --- a/input/kinetics/families/R_Recombination/rules.py +++ b/input/kinetics/families/R_Recombination/rules.py @@ -2,8 +2,8 @@ # encoding: utf-8 name = "R_Recombination/rules" -shortDesc = u"" -longDesc = u""" +shortDesc = "" +longDesc = """ For some reason the definition of Cs_rad:: Cs_rad @@ -20,2866 +20,5206 @@ """ entry( index = 1, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R", - kinetics = ArrheniusBM(A=(7.98328e+06,'m^3/(mol*s)'), n=-8.3375e-07, w0=(122000,'J/mol'), E0=(12200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.6119682562e-08, var=0.123635288982, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R - Total Standard Deviation in ln(k): 0.704901181513"""), + label = "Root", + kinetics = ArrheniusBM(A=(4.19781e+07,'m^3/(mol*s)'), n=0.0114452, w0=(176.88,'kJ/mol'), E0=(68.5339,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03159666528300197, var=4.280875854033208, Tref=1000.0, N=271, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 271 training reactions at node Root + Total Standard Deviation in ln(k): 4.227241124277926"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R -Total Standard Deviation in ln(k): 0.704901181513""", + shortDesc = """BM rule fitted to 271 training reactions at node Root +Total Standard Deviation in ln(k): 4.227241124277926""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R -Total Standard Deviation in ln(k): 0.704901181513 +""" +BM rule fitted to 271 training reactions at node Root +Total Standard Deviation in ln(k): 4.227241124277926 """, ) entry( index = 2, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing", - kinetics = ArrheniusBM(A=(5e+07,'m^3/(mol*s)'), n=-1.21605e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H", + kinetics = ArrheniusBM(A=(1.87153e+07,'m^3/(mol*s)'), n=0.267642, w0=(206.149,'kJ/mol'), E0=(94.4569,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.01588828971812187, var=4.099619818353831, Tref=1000.0, N=87, data_mean=0.0, correlation='Root_1R->H',), comment="""BM rule fitted to 87 training reactions at node Root_1R->H + Total Standard Deviation in ln(k): 4.099011265941489"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 87 training reactions at node Root_1R->H +Total Standard Deviation in ln(k): 4.099011265941489""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_2R-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 87 training reactions at node Root_1R->H +Total Standard Deviation in ln(k): 4.099011265941489 """, ) entry( index = 3, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O", - kinetics = ArrheniusBM(A=(10935.8,'m^3/(mol*s)'), n=0.77776, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0184655330759, var=0.0205899691821, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O - Total Standard Deviation in ln(k): 0.334059363082"""), + label = "Root_1R->H_2R->S", + kinetics = ArrheniusBM(A=(9.71437e+06,'m^3/(mol*s)'), n=0.570447, w0=(181.5,'kJ/mol'), E0=(63.8083,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.2425089050590827, var=19.920377804880065, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1R->H_2R->S',), comment="""BM rule fitted to 3 training reactions at node Root_1R->H_2R->S + Total Standard Deviation in ln(k): 14.5820282916646"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O -Total Standard Deviation in ln(k): 0.334059363082""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_1R->H_2R->S +Total Standard Deviation in ln(k): 14.5820282916646""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_3R!H->O -Total Standard Deviation in ln(k): 0.334059363082 +""" +BM rule fitted to 3 training reactions at node Root_1R->H_2R->S +Total Standard Deviation in ln(k): 14.5820282916646 """, ) entry( index = 4, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_3R!H->N", - kinetics = ArrheniusBM(A=(1.32408e+08,'m^3/(mol*s)'), n=-0.361164, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_3R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_3R!H->N - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_2R->S_Ext-2S-R", + kinetics = ArrheniusBM(A=(4.27677e+06,'m^3/(mol*s)'), n=1.0812, w0=(181.5,'kJ/mol'), E0=(67.7603,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_2R->S_Ext-2S-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_2R->S_Ext-2S-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_3R!H->N -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_2R->S_Ext-2S-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_3R!H->N -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_2R->S_Ext-2S-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 5, - label = "Root_1R->H_N-2R->S_N-2CHNO->H", - kinetics = ArrheniusBM(A=(5.02478e+07,'m^3/(mol*s)'), n=0.0443013, w0=(190171,'J/mol'), E0=(19017.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0678871354549, var=2.2783709969, Tref=1000.0, N=38, correlation='Root_1R->H_N-2R->S_N-2CHNO->H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H - Total Standard Deviation in ln(k): 3.19657269522"""), + label = "Root_1R->H_N-2R->S", + kinetics = ArrheniusBM(A=(1.84222e+08,'m^3/(mol*s)'), n=-0.0881505, w0=(207.03,'kJ/mol'), E0=(117.018,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.16529117185993783, var=3.2470767751065326, Tref=1000.0, N=84, data_mean=0.0, correlation='Root_1R->H_N-2R->S',), comment="""BM rule fitted to 84 training reactions at node Root_1R->H_N-2R->S + Total Standard Deviation in ln(k): 4.027766291477692"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H -Total Standard Deviation in ln(k): 3.19657269522""", + shortDesc = """BM rule fitted to 84 training reactions at node Root_1R->H_N-2R->S +Total Standard Deviation in ln(k): 4.027766291477692""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H -Total Standard Deviation in ln(k): 3.19657269522 +""" +BM rule fitted to 84 training reactions at node Root_1R->H_N-2R->S +Total Standard Deviation in ln(k): 4.027766291477692 """, ) entry( index = 6, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_3R!H->O", - kinetics = ArrheniusBM(A=(3.77e+06,'m^3/(mol*s)'), n=-2.20284e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing", + kinetics = ArrheniusBM(A=(6.18581e+08,'m^3/(mol*s)'), n=-0.227063, w0=(205.5,'kJ/mol'), E0=(114.909,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.005542906064395105, var=5.543577102614576, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing + Total Standard Deviation in ln(k): 4.734035984124622"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 14 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing +Total Standard Deviation in ln(k): 4.734035984124622""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 14 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing +Total Standard Deviation in ln(k): 4.734035984124622 """, ) entry( index = 7, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C", - kinetics = ArrheniusBM(A=(6.81404e+07,'m^3/(mol*s)'), n=-2.32247e-07, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.00612506154e-08, var=0.119534414219, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C - Total Standard Deviation in ln(k): 0.69311210551"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H", + kinetics = ArrheniusBM(A=(5.83557e+10,'m^3/(mol*s)'), n=-0.84119, w0=(205.5,'kJ/mol'), E0=(147.906,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7481061299473746, var=21.71274817033935, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H',), comment="""BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H + Total Standard Deviation in ln(k): 11.22111565409768"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C -Total Standard Deviation in ln(k): 0.69311210551""", + shortDesc = """BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H +Total Standard Deviation in ln(k): 11.22111565409768""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C -Total Standard Deviation in ln(k): 0.69311210551 +""" +BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H +Total Standard Deviation in ln(k): 11.22111565409768 """, ) entry( index = 8, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O", - kinetics = ArrheniusBM(A=(5250.69,'m^3/(mol*s)'), n=1.27262, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(353416,'m^3/(mol*s)'), n=0.0261687, w0=(205.5,'kJ/mol'), E0=(20.55,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.051990533709137074, var=36.4083102723705, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 12.227060445663648"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 12.227060445663648""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 12.227060445663648 """, ) entry( index = 9, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_N-Sp-3C-2CN", - kinetics = ArrheniusBM(A=(1.81e+08,'m^3/(mol*s)'), n=-8.9089e-10, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_N-Sp-3C-2CN',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_N-Sp-3C-2CN - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Ext-3R!H-R", + kinetics = ArrheniusBM(A=(176351,'m^3/(mol*s)'), n=-0.549379, w0=(205.5,'kJ/mol'), E0=(76.9995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Ext-3R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Ext-3R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_N-Sp-3C-2CN -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Ext-3R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_N-Sp-3C-2CN -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Ext-3R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 10, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_N-3R!H->O", - kinetics = ArrheniusBM(A=(6.03e+06,'m^3/(mol*s)'), n=-5.81278e-09, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_N-3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_N-3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(6.03232e+06,'m^3/(mol*s)'), n=-0.00929868, w0=(205.5,'kJ/mol'), E0=(89.8042,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 11, - label = "Root_1R->H_2R->S_Ext-2S-R", - kinetics = ArrheniusBM(A=(2.19756e+07,'m^3/(mol*s)'), n=0.830529, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_2R->S_Ext-2S-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_2R->S_Ext-2S-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", + kinetics = ArrheniusBM(A=(8.77012e+06,'m^3/(mol*s)'), n=-0.0289636, w0=(205.5,'kJ/mol'), E0=(118.876,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_2R->S_Ext-2S-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_2R->S_Ext-2S-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Ext-2BrCClFHNO-R_Ext-5R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 12, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R", - kinetics = ArrheniusBM(A=(104369,'m^3/(mol*s)'), n=0.705194, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0346096610536, var=0.973963688559, Tref=1000.0, N=10, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R - Total Standard Deviation in ln(k): 2.06542394964"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO", + kinetics = ArrheniusBM(A=(4.44193e+07,'m^3/(mol*s)'), n=0.0790884, w0=(205.5,'kJ/mol'), E0=(82.069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4321989925295231, var=9.818254810490107, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO',), comment="""BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO + Total Standard Deviation in ln(k): 7.367582962483659"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R -Total Standard Deviation in ln(k): 2.06542394964""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 7.367582962483659""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R -Total Standard Deviation in ln(k): 2.06542394964 +""" +BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 7.367582962483659 """, ) entry( index = 13, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C", - kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=-1.37127e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing", + kinetics = ArrheniusBM(A=(3.70386e+06,'m^3/(mol*s)'), n=0.19941, w0=(205.5,'kJ/mol'), E0=(50.3456,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.8120480258864409, var=13.318773824843154, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing + Total Standard Deviation in ln(k): 11.869144161224577"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing +Total Standard Deviation in ln(k): 11.869144161224577""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_N-6R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing +Total Standard Deviation in ln(k): 11.869144161224577 """, ) entry( index = 14, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_N-4R!H-inRing", - kinetics = ArrheniusBM(A=(3.63222,'m^3/(mol*s)'), n=1.59841, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_N-4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_N-4R!H-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing_Ext-3R!H-R", + kinetics = ArrheniusBM(A=(1.37186e+06,'m^3/(mol*s)'), n=0.39882, w0=(205.5,'kJ/mol'), E0=(58.2267,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing_Ext-3R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing_Ext-3R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_N-4R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing_Ext-3R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_N-4R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_4R!H-inRing_Ext-3R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 15, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H", - kinetics = ArrheniusBM(A=(6.79503e+06,'m^3/(mol*s)'), n=0.417452, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(9.3466e+06,'m^3/(mol*s)'), n=0.408973, w0=(205.5,'kJ/mol'), E0=(73.9218,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_Sp-6R!H-5R!H -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_Sp-3R!H-2BrCClFHNO_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 16, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_N-2R->C", - kinetics = ArrheniusBM(A=(1.81e+06,'m^3/(mol*s)'), n=-5.80997e-08, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_N-2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_N-2R->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_N-Sp-3R!H-2BrCClFHNO", + kinetics = ArrheniusBM(A=(7.92127e+07,'m^3/(mol*s)'), n=0.261109, w0=(205.5,'kJ/mol'), E0=(122.333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_N-Sp-3R!H-2BrCClFHNO',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_N-Sp-3R!H-2BrCClFHNO + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_N-2R->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_N-Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_N-2R->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_Sp-4R!H-3R!H_N-Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 17, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_Sp-5R!H-4R!H", - kinetics = ArrheniusBM(A=(1.48138e+06,'m^3/(mol*s)'), n=-0.119415, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_Sp-5R!H-4R!H - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H", + kinetics = ArrheniusBM(A=(4.42591e+07,'m^3/(mol*s)'), n=0.134893, w0=(205.5,'kJ/mol'), E0=(81.9077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08996105998184312, var=0.2504706643421616, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H',), comment="""BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H + Total Standard Deviation in ln(k): 1.2293434663569764"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_Sp-5R!H-4R!H -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H +Total Standard Deviation in ln(k): 1.2293434663569764""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_Sp-5R!H-4R!H -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H +Total Standard Deviation in ln(k): 1.2293434663569764 """, ) entry( index = 18, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O", - kinetics = ArrheniusBM(A=(8.46129e+07,'m^3/(mol*s)'), n=-5.23396e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.00433609697246, var=0.183327166906, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O - Total Standard Deviation in ln(k): 0.869256557712"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.70417e+07,'m^3/(mol*s)'), n=0.13817, w0=(205.5,'kJ/mol'), E0=(78.7152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016363460614647846, var=0.010255354138943597, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.24413118271194525"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O -Total Standard Deviation in ln(k): 0.869256557712""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.24413118271194525""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O -Total Standard Deviation in ln(k): 0.869256557712 +""" +BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.24413118271194525 """, ) entry( index = 19, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_7R!H->O", - kinetics = ArrheniusBM(A=(7.75e+08,'m^3/(mol*s)'), n=-0.75, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_7R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_7R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO", + kinetics = ArrheniusBM(A=(1.19687e+08,'m^3/(mol*s)'), n=-0.0437944, w0=(205.5,'kJ/mol'), E0=(76.6063,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.6660752472298344, var=0.03338195309685563, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO + Total Standard Deviation in ln(k): 2.039835606758406"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_7R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 2.039835606758406""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_7R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 2.039835606758406 """, ) entry( index = 20, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C", - kinetics = ArrheniusBM(A=(315400,'m^3/(mol*s)'), n=0.546593, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0328000692469, var=0.856170432709, Tref=1000.0, N=59, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C - Total Standard Deviation in ln(k): 1.93738313973"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO_Ext-2BrCClFHNO-R", + kinetics = ArrheniusBM(A=(2.36997e+07,'m^3/(mol*s)'), n=0.0829452, w0=(205.5,'kJ/mol'), E0=(62.8092,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO_Ext-2BrCClFHNO-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO_Ext-2BrCClFHNO-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C -Total Standard Deviation in ln(k): 1.93738313973""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO_Ext-2BrCClFHNO-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C -Total Standard Deviation in ln(k): 1.93738313973 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_Sp-3R!H-2BrCClFHNO_Ext-2BrCClFHNO-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 21, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0", - kinetics = ArrheniusBM(A=(1.03124e+31,'m^3/(mol*s)'), n=-7.48856, w0=(79333.3,'J/mol'), E0=(7933.33,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.354218852058, var=34.8187486739, Tref=1000.0, N=6, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0 - Total Standard Deviation in ln(k): 12.7194203157"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO", + kinetics = ArrheniusBM(A=(2.45117e+07,'m^3/(mol*s)'), n=0.200434, w0=(205.5,'kJ/mol'), E0=(122.733,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0032279228172590476, var=0.0013491684535557648, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO + Total Standard Deviation in ln(k): 0.08174634006970083"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0 -Total Standard Deviation in ln(k): 12.7194203157""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 0.08174634006970083""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0 -Total Standard Deviation in ln(k): 12.7194203157 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 0.08174634006970083 """, ) entry( index = 22, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_N-2R-inRing", - kinetics = ArrheniusBM(A=(6.08474e+07,'m^3/(mol*s)'), n=-0.428622, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_N-2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_N-2R-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.29183e+07,'m^3/(mol*s)'), n=0.208569, w0=(205.5,'kJ/mol'), E0=(122.114,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_N-2R-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_N-2R-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-2BrCClFHNO-R_Ext-5R!H-R_N-Sp-3R!H-2BrCClFHNO_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 23, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_N-2R->C", - kinetics = ArrheniusBM(A=(3.65367e+06,'m^3/(mol*s)'), n=0.2352, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.470950179139, var=0.481323982295, Tref=1000.0, N=2, correlation='Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_N-2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_N-2R->C - Total Standard Deviation in ln(k): 2.57412732042"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R", + kinetics = ArrheniusBM(A=(5.15096e+07,'m^3/(mol*s)'), n=0.183576, w0=(205.5,'kJ/mol'), E0=(88.2201,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4398789556040558, var=0.03463880789404014, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R + Total Standard Deviation in ln(k): 1.4783348544757335"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_N-2R->C -Total Standard Deviation in ln(k): 2.57412732042""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4783348544757335""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_N-2R->C -Total Standard Deviation in ln(k): 2.57412732042 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R +Total Standard Deviation in ln(k): 1.4783348544757335 """, ) entry( index = 24, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R", - kinetics = ArrheniusBM(A=(1.1146e+21,'m^3/(mol*s)'), n=-4.68812, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-3R!H-2BrCClFHNO", + kinetics = ArrheniusBM(A=(3.94526e+07,'m^3/(mol*s)'), n=0.217294, w0=(205.5,'kJ/mol'), E0=(89.2907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-3R!H-2BrCClFHNO',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-3R!H-2BrCClFHNO + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 25, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-6C-R", - kinetics = ArrheniusBM(A=(1.33755e+09,'m^3/(mol*s)'), n=-0.828757, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-6C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-6C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-3R!H-2BrCClFHNO", + kinetics = ArrheniusBM(A=(2.2e+08,'m^3/(mol*s)'), n=0, w0=(205.5,'kJ/mol'), E0=(118.308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-3R!H-2BrCClFHNO',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-3R!H-2BrCClFHNO + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-6C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-6C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_2BrCClFHNO-inRing_Ext-2BrCClFHNO-R_Ext-3R!H-R_N-Sp-4R!H-3R!H_Ext-4R!H-R_Ext-5R!H-R_Ext-4R!H-R_Ext-6R!H-R_N-Sp-3R!H-2BrCClFHNO +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 26, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C", - kinetics = ArrheniusBM(A=(129687,'m^3/(mol*s)'), n=0.801692, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0247533941213, var=0.0, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C - Total Standard Deviation in ln(k): 0.0621944575911"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing", + kinetics = ArrheniusBM(A=(1.21289e+08,'m^3/(mol*s)'), n=-0.043635, w0=(207.336,'kJ/mol'), E0=(123.588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.32949696452019295, var=2.990278128710778, Tref=1000.0, N=70, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing',), comment="""BM rule fitted to 70 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing + Total Standard Deviation in ln(k): 4.2945540508305395"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C -Total Standard Deviation in ln(k): 0.0621944575911""", + shortDesc = """BM rule fitted to 70 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing +Total Standard Deviation in ln(k): 4.2945540508305395""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C -Total Standard Deviation in ln(k): 0.0621944575911 +""" +BM rule fitted to 70 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing +Total Standard Deviation in ln(k): 4.2945540508305395 """, ) entry( index = 27, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C", - kinetics = ArrheniusBM(A=(1.74988e+07,'m^3/(mol*s)'), n=0.493661, w0=(113000,'J/mol'), E0=(11300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-2.78036942243, var=24.8279862009, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C - Total Standard Deviation in ln(k): 16.9749844749"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O", + kinetics = ArrheniusBM(A=(4.36942e+06,'m^3/(mol*s)'), n=0.260159, w0=(229.5,'kJ/mol'), E0=(50.1,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.18747662062982248, var=11.444138350979815, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O',), comment="""BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O + Total Standard Deviation in ln(k): 7.2529023955595395"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C -Total Standard Deviation in ln(k): 16.9749844749""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O +Total Standard Deviation in ln(k): 7.2529023955595395""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C -Total Standard Deviation in ln(k): 16.9749844749 +""" +BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O +Total Standard Deviation in ln(k): 7.2529023955595395 """, ) entry( index = 28, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R", - kinetics = ArrheniusBM(A=(1.62598e+07,'m^3/(mol*s)'), n=0.255122, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R", + kinetics = ArrheniusBM(A=(2.55303e+06,'m^3/(mol*s)'), n=0.293392, w0=(229.5,'kJ/mol'), E0=(47.7213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.898954322861617, var=122.33739474515733, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R',), comment="""BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R + Total Standard Deviation in ln(k): 39.50767622575325"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R +Total Standard Deviation in ln(k): 39.50767622575325""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R_Ext-5R!H-R_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R +Total Standard Deviation in ln(k): 39.50767622575325 """, ) entry( index = 29, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C", - kinetics = ArrheniusBM(A=(5.69413e+09,'m^3/(mol*s)'), n=-0.523824, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.16007161633, var=0.288590491554, Tref=1000.0, N=3, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C - Total Standard Deviation in ln(k): 1.47914608549"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_3R!H->Cl", + kinetics = ArrheniusBM(A=(2.49746e+10,'m^3/(mol*s)'), n=-2.63174, w0=(229.5,'kJ/mol'), E0=(91.7404,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09052057931515818, var=1.2163223125035128e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_3R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_3R!H->Cl + Total Standard Deviation in ln(k): 0.23443031800553002"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C -Total Standard Deviation in ln(k): 1.47914608549""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_3R!H->Cl +Total Standard Deviation in ln(k): 0.23443031800553002""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C -Total Standard Deviation in ln(k): 1.47914608549 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_3R!H->Cl +Total Standard Deviation in ln(k): 0.23443031800553002 """, ) entry( index = 30, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R", - kinetics = ArrheniusBM(A=(1.52619e+07,'m^3/(mol*s)'), n=-6.53409e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.159897533582, var=0.0656793251983, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R - Total Standard Deviation in ln(k): 0.915525659817"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl", + kinetics = ArrheniusBM(A=(2.07243e+06,'m^3/(mol*s)'), n=0.359788, w0=(229.5,'kJ/mol'), E0=(47.4183,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5519444187120015, var=4.570454558554161, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl + Total Standard Deviation in ln(k): 5.67264225813464"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R -Total Standard Deviation in ln(k): 0.915525659817""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl +Total Standard Deviation in ln(k): 5.67264225813464""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R -Total Standard Deviation in ln(k): 0.915525659817 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl +Total Standard Deviation in ln(k): 5.67264225813464 """, ) entry( index = 31, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R", - kinetics = ArrheniusBM(A=(7.82306e+07,'m^3/(mol*s)'), n=0.0632962, w0=(209857,'J/mol'), E0=(20985.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0177752274534, var=0.222667283872, Tref=1000.0, N=7, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R - Total Standard Deviation in ln(k): 0.990648434191"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_3BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(2.21037e+06,'m^3/(mol*s)'), n=0.349925, w0=(229.5,'kJ/mol'), E0=(88.1187,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_3BrCFINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_3BrCFINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R -Total Standard Deviation in ln(k): 0.990648434191""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_3BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R -Total Standard Deviation in ln(k): 0.990648434191 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_3BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 32, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C", - kinetics = ArrheniusBM(A=(1.53609e+09,'m^3/(mol*s)'), n=-0.946459, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.000724761308015, var=1.22133425516, Tref=1000.0, N=6, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C - Total Standard Deviation in ln(k): 2.2173337826"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_N-3BrCFINOPSSi->C", + kinetics = ArrheniusBM(A=(43950,'m^3/(mol*s)'), n=1, w0=(229.5,'kJ/mol'), E0=(53.9246,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_N-3BrCFINOPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_N-3BrCFINOPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C -Total Standard Deviation in ln(k): 2.2173337826""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_N-3BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C -Total Standard Deviation in ln(k): 2.2173337826 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_2BrCClFHNO->O_Ext-2O-R_N-3R!H->Cl_N-3BrCFINOPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 33, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_N-Sp-3R!H-=2CNO", - kinetics = ArrheniusBM(A=(4.01625e+07,'m^3/(mol*s)'), n=0.214672, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_N-Sp-3R!H-=2CNO',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_N-Sp-3R!H-=2CNO - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O", + kinetics = ArrheniusBM(A=(7.53096e+07,'m^3/(mol*s)'), n=0.0230384, w0=(205.631,'kJ/mol'), E0=(124.121,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.34650456385344414, var=2.982766656268015, Tref=1000.0, N=65, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O',), comment="""BM rule fitted to 65 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O + Total Standard Deviation in ln(k): 4.332929895957191"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_N-Sp-3R!H-=2CNO -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 65 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O +Total Standard Deviation in ln(k): 4.332929895957191""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_N-Sp-3R!H-=2CNO -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 65 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O +Total Standard Deviation in ln(k): 4.332929895957191 """, ) entry( index = 34, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_Sp-3CCSS#2R", - kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=-1.34483e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_Sp-3CCSS#2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_Sp-3CCSS#2R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_2CHN->N", + kinetics = ArrheniusBM(A=(8.84147e+06,'m^3/(mol*s)'), n=0.349925, w0=(193,'kJ/mol'), E0=(113.913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_2CHN->N',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_2CHN->N + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_Sp-3CCSS#2R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_2CHN->N +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_Sp-3CCSS#2R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_2CHN->N +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 35, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO", - kinetics = ArrheniusBM(A=(8.24474e+12,'m^3/(mol*s)'), n=-1.49865, w0=(184786,'J/mol'), E0=(18478.6,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.381367412635, var=9.46235787476, Tref=1000.0, N=7, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO - Total Standard Deviation in ln(k): 7.12496428854"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N", + kinetics = ArrheniusBM(A=(8.5478e+07,'m^3/(mol*s)'), n=0.00375573, w0=(205.828,'kJ/mol'), E0=(123.654,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.39175180662234177, var=3.321199756901395, Tref=1000.0, N=64, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N',), comment="""BM rule fitted to 64 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N + Total Standard Deviation in ln(k): 4.637762126376641"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO -Total Standard Deviation in ln(k): 7.12496428854""", + shortDesc = """BM rule fitted to 64 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N +Total Standard Deviation in ln(k): 4.637762126376641""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO -Total Standard Deviation in ln(k): 7.12496428854 +""" +BM rule fitted to 64 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N +Total Standard Deviation in ln(k): 4.637762126376641 """, ) entry( index = 36, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R", - kinetics = ArrheniusBM(A=(2.13947e+08,'m^3/(mol*s)'), n=-0.514474, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.000121059371351, var=1.09982367998, Tref=1000.0, N=21, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R - Total Standard Deviation in ln(k): 2.10271953737"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C", + kinetics = ArrheniusBM(A=(8.4062e+07,'m^3/(mol*s)'), n=0.00657626, w0=(205.5,'kJ/mol'), E0=(124.071,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3987253077174363, var=3.289907111258809, Tref=1000.0, N=62, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C',), comment="""BM rule fitted to 62 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C + Total Standard Deviation in ln(k): 4.638031130304823"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R -Total Standard Deviation in ln(k): 2.10271953737""", + shortDesc = """BM rule fitted to 62 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C +Total Standard Deviation in ln(k): 4.638031130304823""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R -Total Standard Deviation in ln(k): 2.10271953737 +""" +BM rule fitted to 62 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C +Total Standard Deviation in ln(k): 4.638031130304823 """, ) entry( index = 37, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-5R!H-R_Ext-5R!H-R", - kinetics = ArrheniusBM(A=(7.04085e+06,'m^3/(mol*s)'), n=-0.0872803, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-5R!H-R_Ext-5R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(8.24769e+07,'m^3/(mol*s)'), n=0.00794181, w0=(205.5,'kJ/mol'), E0=(123.739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.40388498780815635, var=3.3523550915267966, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R',), comment="""BM rule fitted to 60 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R + Total Standard Deviation in ln(k): 4.68534360342036"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-5R!H-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 60 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R +Total Standard Deviation in ln(k): 4.68534360342036""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-5R!H-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 60 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R +Total Standard Deviation in ln(k): 4.68534360342036 """, ) entry( index = 38, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R", - kinetics = ArrheniusBM(A=(2.57593e+11,'m^3/(mol*s)'), n=-1.2919, w0=(83500,'J/mol'), E0=(8350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F", + kinetics = ArrheniusBM(A=(2.23995e+19,'m^3/(mol*s)'), n=-4.71736, w0=(205.5,'kJ/mol'), E0=(131.923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25751318094629677, var=35.011553852326195, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F',), comment="""BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F + Total Standard Deviation in ln(k): 12.50914812408589"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F +Total Standard Deviation in ln(k): 12.50914812408589""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F +Total Standard Deviation in ln(k): 12.50914812408589 """, ) entry( index = 39, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C", - kinetics = ArrheniusBM(A=(9.29149e+06,'m^3/(mol*s)'), n=-0.3, w0=(75166.7,'J/mol'), E0=(7516.67,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=4.40309720458e-11, var=16.7795781874, Tref=1000.0, N=3, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C - Total Standard Deviation in ln(k): 8.21197292804"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R", + kinetics = ArrheniusBM(A=(9.99888e+19,'m^3/(mol*s)'), n=-4.91877, w0=(205.5,'kJ/mol'), E0=(132.719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26404397768419113, var=37.60956396899984, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R',), comment="""BM rule fitted to 15 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R + Total Standard Deviation in ln(k): 12.95779310242817"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C -Total Standard Deviation in ln(k): 8.21197292804""", + shortDesc = """BM rule fitted to 15 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R +Total Standard Deviation in ln(k): 12.95779310242817""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C -Total Standard Deviation in ln(k): 8.21197292804 +""" +BM rule fitted to 15 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R +Total Standard Deviation in ln(k): 12.95779310242817 """, ) entry( index = 40, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_3R!H-inRing", - kinetics = ArrheniusBM(A=(6.75496e+10,'m^3/(mol*s)'), n=-1.29253, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_3R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_3R!H-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C", + kinetics = ArrheniusBM(A=(1.00014e+24,'m^3/(mol*s)'), n=-6.08812, w0=(205.5,'kJ/mol'), E0=(133.129,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.263235212374115, var=12.871443056165813, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C',), comment="""BM rule fitted to 13 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C + Total Standard Deviation in ln(k): 7.853741627960401"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_3R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 13 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C +Total Standard Deviation in ln(k): 7.853741627960401""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_3R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 13 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C +Total Standard Deviation in ln(k): 7.853741627960401 """, ) entry( index = 41, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O", - kinetics = ArrheniusBM(A=(6.16957e+06,'m^3/(mol*s)'), n=-1.87134e-07, w0=(122000,'J/mol'), E0=(12200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.52051667475e-07, var=0.241111252513, Tref=1000.0, N=4, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O - Total Standard Deviation in ln(k): 0.984387063055"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R", + kinetics = ArrheniusBM(A=(8.75187e+24,'m^3/(mol*s)'), n=-6.27391, w0=(205.5,'kJ/mol'), E0=(132.369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2518700973192663, var=11.384895334210652, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R',), comment="""BM rule fitted to 10 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R + Total Standard Deviation in ln(k): 7.397118414584184"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O -Total Standard Deviation in ln(k): 0.984387063055""", + shortDesc = """BM rule fitted to 10 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 7.397118414584184""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O -Total Standard Deviation in ln(k): 0.984387063055 +""" +BM rule fitted to 10 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R +Total Standard Deviation in ln(k): 7.397118414584184 """, ) entry( index = 42, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C", - kinetics = ArrheniusBM(A=(1.03468e+10,'m^3/(mol*s)'), n=-0.848331, w0=(83500,'J/mol'), E0=(8350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00516292776992, var=0.173847691771, Tref=1000.0, N=2, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C - Total Standard Deviation in ln(k): 0.848847406671"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_5R!H->Cl", + kinetics = ArrheniusBM(A=(1.21692e+34,'m^3/(mol*s)'), n=-8.80473, w0=(205.5,'kJ/mol'), E0=(123.144,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_5R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_5R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C -Total Standard Deviation in ln(k): 0.848847406671""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C -Total Standard Deviation in ln(k): 0.848847406671 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_5R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 43, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_Sp-3R!H-=2CNO", - kinetics = ArrheniusBM(A=(2.2e+08,'m^3/(mol*s)'), n=1.30791e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_Sp-3R!H-=2CNO',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_Sp-3R!H-=2CNO - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(8.43711e+23,'m^3/(mol*s)'), n=-5.99271, w0=(205.5,'kJ/mol'), E0=(133.394,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.25884854535692575, var=10.966526674850428, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl',), comment="""BM rule fitted to 9 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl + Total Standard Deviation in ln(k): 7.289203095535672"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_Sp-3R!H-=2CNO -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 9 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 7.289203095535672""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R_Sp-3R!H-=2CNO -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 9 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 7.289203095535672 """, ) entry( index = 44, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C", - kinetics = ArrheniusBM(A=(6.64e+07,'m^3/(mol*s)'), n=-0.35, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_5BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.21692e+34,'m^3/(mol*s)'), n=-8.80473, w0=(205.5,'kJ/mol'), E0=(122.494,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_5BrCFINOPSSi->Br',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_5BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R_6R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 45, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_4R!H->C", - kinetics = ArrheniusBM(A=(8.43648e+08,'m^3/(mol*s)'), n=-0.692983, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.486034813833, var=0.494552119499, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_4R!H->C - Total Standard Deviation in ln(k): 2.63101090859"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(4.53221e+22,'m^3/(mol*s)'), n=-5.64121, w0=(205.5,'kJ/mol'), E0=(134.756,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.267571626393173, var=9.741478293666106, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br',), comment="""BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 6.929337601869539"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_4R!H->C -Total Standard Deviation in ln(k): 2.63101090859""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 6.929337601869539""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_4R!H->C -Total Standard Deviation in ln(k): 2.63101090859 +""" +BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 6.929337601869539 """, ) entry( index = 46, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_N-5R!H->C", - kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=-1.42812e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_N-5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_N-5R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CF->C", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=0, w0=(205.5,'kJ/mol'), E0=(117.474,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CF->C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_N-5R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CF->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_N-5R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_5CF->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 47, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N", - kinetics = ArrheniusBM(A=(403.078,'m^3/(mol*s)'), n=1.76559, w0=(71000,'J/mol'), E0=(13653.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.726705389742, var=5.98513001094, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N - Total Standard Deviation in ln(k): 6.73038215317"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C", + kinetics = ArrheniusBM(A=(7.81494e+24,'m^3/(mol*s)'), n=-6.44709, w0=(205.5,'kJ/mol'), E0=(137.225,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30579614707389685, var=9.983013711910235, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C',), comment="""BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C + Total Standard Deviation in ln(k): 7.102474435962612"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N -Total Standard Deviation in ln(k): 6.73038215317""", + shortDesc = """BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C +Total Standard Deviation in ln(k): 7.102474435962612""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N -Total Standard Deviation in ln(k): 6.73038215317 +""" +BM rule fitted to 7 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C +Total Standard Deviation in ln(k): 7.102474435962612 """, ) entry( index = 48, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R", - kinetics = ArrheniusBM(A=(9.99999e+06,'m^3/(mol*s)'), n=9.65418e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C", + kinetics = ArrheniusBM(A=(8.36064e+26,'m^3/(mol*s)'), n=-7.16302, w0=(205.5,'kJ/mol'), E0=(135.775,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3351504735852967, var=16.804457517960397, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C',), comment="""BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C + Total Standard Deviation in ln(k): 9.060145297268072"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C +Total Standard Deviation in ln(k): 9.060145297268072""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C +Total Standard Deviation in ln(k): 9.060145297268072 """, ) entry( index = 49, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R", - kinetics = ArrheniusBM(A=(9.33146e+06,'m^3/(mol*s)'), n=0.409212, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.7313e+28,'m^3/(mol*s)'), n=-7.39166, w0=(205.5,'kJ/mol'), E0=(134.959,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3166437201132897, var=29.409938925631906, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R',), comment="""BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R + Total Standard Deviation in ln(k): 11.667452230541292"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R +Total Standard Deviation in ln(k): 11.667452230541292""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R +Total Standard Deviation in ln(k): 11.667452230541292 """, ) entry( index = 50, - label = "Root_N-1R->H", - kinetics = ArrheniusBM(A=(4.12325e+06,'m^3/(mol*s)'), n=0.220072, w0=(146681,'J/mol'), E0=(1439.78,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0580211370054, var=4.8972964562, Tref=1000.0, N=102, correlation='Root_N-1R->H',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H - Total Standard Deviation in ln(k): 4.58222761906"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(5.06317e+29,'m^3/(mol*s)'), n=-7.6173, w0=(205.5,'kJ/mol'), E0=(134.184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.30158007722040336, var=26.748226087879157, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R + Total Standard Deviation in ln(k): 11.125965532151271"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H -Total Standard Deviation in ln(k): 4.58222761906""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.125965532151271""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H -Total Standard Deviation in ln(k): 4.58222761906 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.125965532151271 """, ) entry( index = 51, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O", - kinetics = ArrheniusBM(A=(5.37e+07,'m^3/(mol*s)'), n=0.15395, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.07241189931, var=2.92956615883, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O - Total Standard Deviation in ln(k): 6.12580189805"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.21692e+34,'m^3/(mol*s)'), n=-8.80473, w0=(205.5,'kJ/mol'), E0=(123.739,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O -Total Standard Deviation in ln(k): 6.12580189805""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_N-2CNO->O -Total Standard Deviation in ln(k): 6.12580189805 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-4C-R_Ext-2C-R_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 52, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O", - kinetics = ArrheniusBM(A=(7.97874e+07,'m^3/(mol*s)'), n=0.0908733, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-2C-R", + kinetics = ArrheniusBM(A=(2.57075e+24,'m^3/(mol*s)'), n=-6.76739, w0=(205.5,'kJ/mol'), E0=(137.077,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_2CNO->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_Sp-4C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 53, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R", - kinetics = ArrheniusBM(A=(308.407,'m^3/(mol*s)'), n=0.967216, w0=(139000,'J/mol'), E0=(13900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0049236047651, var=0.0302625193734, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R - Total Standard Deviation in ln(k): 0.361117102774"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C", + kinetics = ArrheniusBM(A=(6.6015e+19,'m^3/(mol*s)'), n=-4.65728, w0=(205.5,'kJ/mol'), E0=(140.851,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23241034472971045, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C + Total Standard Deviation in ln(k): 0.5839455897731418"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R -Total Standard Deviation in ln(k): 0.361117102774""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C +Total Standard Deviation in ln(k): 0.5839455897731418""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R -Total Standard Deviation in ln(k): 0.361117102774 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C +Total Standard Deviation in ln(k): 0.5839455897731418 """, ) entry( index = 54, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H", - kinetics = ArrheniusBM(A=(1.5283e+07,'m^3/(mol*s)'), n=-0.385614, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0775690385099, var=0.0415445018793, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H - Total Standard Deviation in ln(k): 0.603511575689"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C_Ext-4C-R", + kinetics = ArrheniusBM(A=(6.6015e+19,'m^3/(mol*s)'), n=-4.65728, w0=(205.5,'kJ/mol'), E0=(143.265,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H -Total Standard Deviation in ln(k): 0.603511575689""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H -Total Standard Deviation in ln(k): 0.603511575689 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Ext-4C-R_N-5R!H->Cl_N-5BrCFINOPSSi->Br_N-5CF->C_N-Sp-4C-2C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 55, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R", - kinetics = ArrheniusBM(A=(4.50099e+08,'m^3/(mol*s)'), n=-0.701965, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0017319911826, var=1.36934858384, Tref=1000.0, N=9, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R - Total Standard Deviation in ln(k): 2.35027605843"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C", + kinetics = ArrheniusBM(A=(2.39918e+21,'m^3/(mol*s)'), n=-5.87461, w0=(205.5,'kJ/mol'), E0=(134.469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3354732596135791, var=2.658413076695544, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C + Total Standard Deviation in ln(k): 4.111546146559168"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R -Total Standard Deviation in ln(k): 2.35027605843""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C +Total Standard Deviation in ln(k): 4.111546146559168""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R -Total Standard Deviation in ln(k): 2.35027605843 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C +Total Standard Deviation in ln(k): 4.111546146559168 """, ) entry( index = 56, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O", - kinetics = ArrheniusBM(A=(3e+06,'m^3/(mol*s)'), n=1.10623e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.90705e+22,'m^3/(mol*s)'), n=-6.09098, w0=(205.5,'kJ/mol'), E0=(134.892,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_N-4R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_Sp-4C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 57, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R", - kinetics = ArrheniusBM(A=(1.08281e+07,'m^3/(mol*s)'), n=0.100375, w0=(75166.7,'J/mol'), E0=(7516.67,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.09139294411, var=4.01089233273, Tref=1000.0, N=3, correlation='Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R - Total Standard Deviation in ln(k): 6.75711883075"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_N-Sp-4C-2C", + kinetics = ArrheniusBM(A=(6.6015e+19,'m^3/(mol*s)'), n=-4.65728, w0=(205.5,'kJ/mol'), E0=(138.048,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_N-Sp-4C-2C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_N-Sp-4C-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R -Total Standard Deviation in ln(k): 6.75711883075""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_N-Sp-4C-2C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R -Total Standard Deviation in ln(k): 6.75711883075 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->C_N-Sp-4C-2C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 58, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing", - kinetics = ArrheniusBM(A=(4.64183e+06,'m^3/(mol*s)'), n=0.438923, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.000133802134542, var=0.433753886377, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing - Total Standard Deviation in ln(k): 1.32065459619"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(9.98266e-07,'m^3/(mol*s)'), n=2.68204, w0=(205.5,'kJ/mol'), E0=(130.058,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2693008724972855, var=814.5040851448289, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C + Total Standard Deviation in ln(k): 57.890808095783754"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing -Total Standard Deviation in ln(k): 1.32065459619""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C +Total Standard Deviation in ln(k): 57.890808095783754""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing -Total Standard Deviation in ln(k): 1.32065459619 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C +Total Standard Deviation in ln(k): 57.890808095783754 """, ) entry( index = 59, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C", - kinetics = ArrheniusBM(A=(9.3042e+08,'m^3/(mol*s)'), n=-0.614675, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0056097018252, var=3.01068616167, Tref=1000.0, N=5, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C - Total Standard Deviation in ln(k): 3.4925765058"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(4.1766,'m^3/(mol*s)'), n=1.94174, w0=(205.5,'kJ/mol'), E0=(122.15,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C -Total Standard Deviation in ln(k): 3.4925765058""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C -Total Standard Deviation in ln(k): 3.4925765058 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 60, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing", - kinetics = ArrheniusBM(A=(1.79861e+10,'m^3/(mol*s)'), n=-0.973503, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0958344498313, var=0.310258299277, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing - Total Standard Deviation in ln(k): 1.35744424775"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F", + kinetics = ArrheniusBM(A=(7.91533e+07,'m^3/(mol*s)'), n=0.0289698, w0=(205.5,'kJ/mol'), E0=(127.426,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5070918032355857, var=2.5662051033541067, Tref=1000.0, N=44, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F',), comment="""BM rule fitted to 44 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F + Total Standard Deviation in ln(k): 4.4855611505517805"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing -Total Standard Deviation in ln(k): 1.35744424775""", + shortDesc = """BM rule fitted to 44 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F +Total Standard Deviation in ln(k): 4.4855611505517805""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing -Total Standard Deviation in ln(k): 1.35744424775 +""" +BM rule fitted to 44 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F +Total Standard Deviation in ln(k): 4.4855611505517805 """, ) entry( index = 61, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R", - kinetics = ArrheniusBM(A=(6.35497e+07,'m^3/(mol*s)'), n=0.0334649, w0=(186521,'J/mol'), E0=(18652.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.265312187046, var=2.03347824868, Tref=1000.0, N=24, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R - Total Standard Deviation in ln(k): 3.5253673363"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(2.44904e+09,'m^3/(mol*s)'), n=-0.378839, w0=(205.5,'kJ/mol'), E0=(137.589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22908454048506927, var=2.3685443576061265, Tref=1000.0, N=38, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C',), comment="""BM rule fitted to 38 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C + Total Standard Deviation in ln(k): 3.660891794837678"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R -Total Standard Deviation in ln(k): 3.5253673363""", + shortDesc = """BM rule fitted to 38 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 3.660891794837678""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R -Total Standard Deviation in ln(k): 3.5253673363 +""" +BM rule fitted to 38 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 3.660891794837678 """, ) entry( index = 62, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R", - kinetics = ArrheniusBM(A=(8.08049e+08,'m^3/(mol*s)'), n=-0.685207, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.691788023649, var=1.05747121089, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R - Total Standard Deviation in ln(k): 3.79969848986"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.82538e+08,'m^3/(mol*s)'), n=-0.0522651, w0=(205.5,'kJ/mol'), E0=(159.942,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.495816097854588, var=2.3611745675100306, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R',), comment="""BM rule fitted to 18 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R + Total Standard Deviation in ln(k): 4.326267846312695"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R -Total Standard Deviation in ln(k): 3.79969848986""", + shortDesc = """BM rule fitted to 18 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R +Total Standard Deviation in ln(k): 4.326267846312695""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R -Total Standard Deviation in ln(k): 3.79969848986 +""" +BM rule fitted to 18 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R +Total Standard Deviation in ln(k): 4.326267846312695 """, ) entry( index = 63, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R", - kinetics = ArrheniusBM(A=(4.63831e+07,'m^3/(mol*s)'), n=-6.58468e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0123271345724, var=1.99454645199, Tref=1000.0, N=6, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R - Total Standard Deviation in ln(k): 2.86222822617"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_3C-inRing", + kinetics = ArrheniusBM(A=(1.25109e+08,'m^3/(mol*s)'), n=-0.247784, w0=(205.5,'kJ/mol'), E0=(139.279,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_3C-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_3C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R -Total Standard Deviation in ln(k): 2.86222822617""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_3C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R -Total Standard Deviation in ln(k): 2.86222822617 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_3C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 64, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C", - kinetics = ArrheniusBM(A=(5.15801e+06,'m^3/(mol*s)'), n=0.423463, w0=(201667,'J/mol'), E0=(20166.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.00140340965819, var=0.294742016181, Tref=1000.0, N=3, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C - Total Standard Deviation in ln(k): 1.09189979396"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing", + kinetics = ArrheniusBM(A=(3.0032e+07,'m^3/(mol*s)'), n=0.204237, w0=(205.5,'kJ/mol'), E0=(106.645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.015586503275756534, var=0.07356775305347633, Tref=1000.0, N=17, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing',), comment="""BM rule fitted to 17 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing + Total Standard Deviation in ln(k): 0.5829139031874249"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C -Total Standard Deviation in ln(k): 1.09189979396""", + shortDesc = """BM rule fitted to 17 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing +Total Standard Deviation in ln(k): 0.5829139031874249""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C -Total Standard Deviation in ln(k): 1.09189979396 +""" +BM rule fitted to 17 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing +Total Standard Deviation in ln(k): 0.5829139031874249 """, ) entry( index = 65, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R", - kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=1.78837e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.01164e+07,'m^3/(mol*s)'), n=0.204963, w0=(205.5,'kJ/mol'), E0=(106.914,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013398046494463411, var=0.0571037910146848, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R',), comment="""BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 0.5127229368682941"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 0.5127229368682941""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R_Ext-4R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 0.5127229368682941 """, ) entry( index = 66, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing", - kinetics = ArrheniusBM(A=(1.62598e+07,'m^3/(mol*s)'), n=0.255122, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.88633e+07,'m^3/(mol*s)'), n=0.213913, w0=(205.5,'kJ/mol'), E0=(102.98,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=8.197906922440378e-05, var=0.01210657880115639, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R',), comment="""BM rule fitted to 9 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.22078677680714184"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 9 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.22078677680714184""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_N-3C-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 9 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.22078677680714184 """, ) entry( index = 67, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_4R!H-inRing", - kinetics = ArrheniusBM(A=(601.137,'m^3/(mol*s)'), n=0.87177, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_4R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_4R!H-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(2.85197e+07,'m^3/(mol*s)'), n=0.213787, w0=(205.5,'kJ/mol'), E0=(102.976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00012681105802580086, var=0.012046587691161825, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.22035222491166043"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_4R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.22035222491166043""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H_4R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.22035222491166043 """, ) entry( index = 68, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R_Ext-1C-R", - kinetics = ArrheniusBM(A=(45504,'m^3/(mol*s)'), n=0.740315, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R_Ext-1C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(2.83155e+07,'m^3/(mol*s)'), n=0.213711, w0=(205.5,'kJ/mol'), E0=(102.973,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00015371010021244128, var=0.013218501330287211, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 0.23087408926051417"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.23087408926051417""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 0.23087408926051417 """, ) entry( index = 69, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R", - kinetics = ArrheniusBM(A=(3.48129e+07,'m^3/(mol*s)'), n=-0.157514, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.79114e+07,'m^3/(mol*s)'), n=0.21356, w0=(205.5,'kJ/mol'), E0=(102.968,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00020750917090565628, var=0.01529032030782134, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.2484149607337448"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.2484149607337448""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.2484149607337448 """, ) entry( index = 70, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_N-3R!H->O", - kinetics = ArrheniusBM(A=(9.04e+06,'m^3/(mol*s)'), n=-5.64022e-08, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_N-3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_N-3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(2.67335e+07,'m^3/(mol*s)'), n=0.213107, w0=(205.5,'kJ/mol'), E0=(102.953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00036890525002828464, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 0.0009268976131363935"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.0009268976131363935""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.0009268976131363935 """, ) entry( index = 71, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_2CNO->N", - kinetics = ArrheniusBM(A=(1.12206e+07,'m^3/(mol*s)'), n=0.314888, w0=(83500,'J/mol'), E0=(8350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_2CNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_2CNO->N - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.67335e+07,'m^3/(mol*s)'), n=0.213107, w0=(205.5,'kJ/mol'), E0=(102.953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_2CNO->N -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_2CNO->N -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 72, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R", - kinetics = ArrheniusBM(A=(9.28426e+17,'m^3/(mol*s)'), n=-3.05017, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=3.08884453463, var=70.5675449198, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R - Total Standard Deviation in ln(k): 24.6015908735"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.67335e+07,'m^3/(mol*s)'), n=0.213107, w0=(205.5,'kJ/mol'), E0=(102.953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R -Total Standard Deviation in ln(k): 24.6015908735""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R -Total Standard Deviation in ln(k): 24.6015908735 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-4R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 73, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_5R!H-inRing", - kinetics = ArrheniusBM(A=(1.11452e+11,'m^3/(mol*s)'), n=-1.43904, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_5R!H-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.67335e+07,'m^3/(mol*s)'), n=0.213107, w0=(205.5,'kJ/mol'), E0=(102.953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_5R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_5R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 74, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C", - kinetics = ArrheniusBM(A=(15.724,'m^3/(mol*s)'), n=2.04268, w0=(71000,'J/mol'), E0=(-696.447,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.461512523709, var=5.42084271959, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C - Total Standard Deviation in ln(k): 5.82714440121"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(2.67335e+07,'m^3/(mol*s)'), n=0.213107, w0=(205.5,'kJ/mol'), E0=(102.953,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C -Total Standard Deviation in ln(k): 5.82714440121""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C -Total Standard Deviation in ln(k): 5.82714440121 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-4R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 75, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C", - kinetics = ArrheniusBM(A=(8.65419e+10,'m^3/(mol*s)'), n=-1.4012, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.218338226454, var=0.11719079963, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C - Total Standard Deviation in ln(k): 1.23487231009"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Sp-3C=2C", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=0, w0=(205.5,'kJ/mol'), E0=(120.874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Sp-3C=2C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Sp-3C=2C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C -Total Standard Deviation in ln(k): 1.23487231009""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Sp-3C=2C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C -Total Standard Deviation in ln(k): 1.23487231009 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_Sp-3C=2C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 76, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing", - kinetics = ArrheniusBM(A=(9.99999e+06,'m^3/(mol*s)'), n=1.28714e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=2.49162334898e-09, var=0.0, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing - Total Standard Deviation in ln(k): 6.26036017332e-09"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C", + kinetics = ArrheniusBM(A=(3.25274e+07,'m^3/(mol*s)'), n=0.19337, w0=(205.5,'kJ/mol'), E0=(106.781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7164792645658096, var=0.6748704888446296, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C',), comment="""BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C + Total Standard Deviation in ln(k): 3.4470990760189535"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing -Total Standard Deviation in ln(k): 6.26036017332e-09""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C +Total Standard Deviation in ln(k): 3.4470990760189535""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing -Total Standard Deviation in ln(k): 6.26036017332e-09 +""" +BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C +Total Standard Deviation in ln(k): 3.4470990760189535 """, ) entry( index = 77, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C", - kinetics = ArrheniusBM(A=(45504,'m^3/(mol*s)'), n=0.740315, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0441547025686, var=0.0, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C - Total Standard Deviation in ln(k): 0.11094146374"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.43549e+07,'m^3/(mol*s)'), n=0.0910533, w0=(205.5,'kJ/mol'), E0=(82.6821,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0028590110630623746, var=4.845846562261507, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R + Total Standard Deviation in ln(k): 4.420263631284479"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C -Total Standard Deviation in ln(k): 0.11094146374""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.420263631284479""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C -Total Standard Deviation in ln(k): 0.11094146374 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R +Total Standard Deviation in ln(k): 4.420263631284479 """, ) entry( index = 78, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R_Ext-1C-R", - kinetics = ArrheniusBM(A=(7.23e+07,'m^3/(mol*s)'), n=-8.53421e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R_Ext-1C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.7979e+07,'m^3/(mol*s)'), n=0.240345, w0=(205.5,'kJ/mol'), E0=(72.6386,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-4R!H-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 79, - label = "Root_1R->H_N-2R->S_2CHNO->H", - kinetics = ArrheniusBM(A=(30255.8,'m^3/(mol*s)'), n=0.454367, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0250878995306, var=56.1568697784, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_2CHNO->H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2CHNO->H - Total Standard Deviation in ln(k): 15.0860960863"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.21692e+34,'m^3/(mol*s)'), n=-8.80473, w0=(205.5,'kJ/mol'), E0=(20.55,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2CHNO->H -Total Standard Deviation in ln(k): 15.0860960863""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_2CHNO->H -Total Standard Deviation in ln(k): 15.0860960863 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 80, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O", - kinetics = ArrheniusBM(A=(2.63e+08,'m^3/(mol*s)'), n=-1.1, w0=(83500,'J/mol'), E0=(8350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(1.7979e+07,'m^3/(mol*s)'), n=0.240345, w0=(205.5,'kJ/mol'), E0=(73.5184,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.005718031428005246, var=3.3763365973602174e-18, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C + Total Standard Deviation in ln(k): 0.014366916819354281"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C +Total Standard Deviation in ln(k): 0.014366916819354281""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C +Total Standard Deviation in ln(k): 0.014366916819354281 """, ) entry( index = 81, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_3C-inRing", - kinetics = ArrheniusBM(A=(8.89521e+07,'m^3/(mol*s)'), n=0.0353438, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_3C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_3C-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.7979e+07,'m^3/(mol*s)'), n=0.240345, w0=(205.5,'kJ/mol'), E0=(76.741,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_3C-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_3C-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_Sp-4R!H-2C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 82, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_N-5R!H-inRing", - kinetics = ArrheniusBM(A=(3.10427e+07,'m^3/(mol*s)'), n=-0.214439, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_N-5R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_N-5R!H-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_N-Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(1.21037e+07,'m^3/(mol*s)'), n=0.336111, w0=(205.5,'kJ/mol'), E0=(110.697,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_N-Sp-4R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_N-Sp-4R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_N-5R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_Sp-5R!H-1C_N-5R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Ext-2C-R_N-3C-inRing_Ext-3C-R_N-Sp-3C=2C_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 83, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H_Ext-3R!H-R", - kinetics = ArrheniusBM(A=(5.73063e+08,'m^3/(mol*s)'), n=-0.91824, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H_Ext-3R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H_Ext-3R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing", + kinetics = ArrheniusBM(A=(3.31088e+08,'m^3/(mol*s)'), n=-0.0885348, w0=(205.5,'kJ/mol'), E0=(107.175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02797848705983826, var=0.07920232407078374, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing + Total Standard Deviation in ln(k): 0.634488443974192"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing +Total Standard Deviation in ln(k): 0.634488443974192""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_N-Sp-5R!H-=4R!H_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing +Total Standard Deviation in ln(k): 0.634488443974192 """, ) entry( index = 84, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C", - kinetics = ArrheniusBM(A=(1.72215e+10,'m^3/(mol*s)'), n=-0.966317, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.100863834071, var=0.318288919583, Tref=1000.0, N=4, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C - Total Standard Deviation in ln(k): 1.38444011628"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(1.69017e+08,'m^3/(mol*s)'), n=0.0270731, w0=(205.5,'kJ/mol'), E0=(117.751,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10012748921436605, var=0.32132622559030904, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 1.3879735987544362"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C -Total Standard Deviation in ln(k): 1.38444011628""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3879735987544362""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C -Total Standard Deviation in ln(k): 1.38444011628 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 1.3879735987544362 """, ) entry( index = 85, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R", - kinetics = ArrheniusBM(A=(5.22915e+07,'m^3/(mol*s)'), n=0.181361, w0=(194500,'J/mol'), E0=(19450,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.150824113586, var=0.0951888293469, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R - Total Standard Deviation in ln(k): 0.997469697333"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-3C", + kinetics = ArrheniusBM(A=(4.79728e+07,'m^3/(mol*s)'), n=0.210679, w0=(205.5,'kJ/mol'), E0=(102.403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R -Total Standard Deviation in ln(k): 0.997469697333""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-2CNO-R -Total Standard Deviation in ln(k): 0.997469697333 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 86, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_2R->C", - kinetics = ArrheniusBM(A=(2.33137e+11,'m^3/(mol*s)'), n=-1.13781, w0=(83500,'J/mol'), E0=(8350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_2R->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-3C", + kinetics = ArrheniusBM(A=(6.84478e+06,'m^3/(mol*s)'), n=0.41638, w0=(205.5,'kJ/mol'), E0=(78.1607,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_2R->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R_Ext-1N-R_2R->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_Sp-5R!H=4R!H_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 87, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_N-3R!H-inRing", - kinetics = ArrheniusBM(A=(2.46571e+08,'m^3/(mol*s)'), n=-0.461716, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_N-3R!H-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_N-3R!H-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H", + kinetics = ArrheniusBM(A=(5.24876e+07,'m^3/(mol*s)'), n=0.108701, w0=(205.5,'kJ/mol'), E0=(88.3079,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10087784772476338, var=0.08078892568683867, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H + Total Standard Deviation in ln(k): 0.8232756541119596"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_N-3R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.8232756541119596""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H_N-3R!H-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H +Total Standard Deviation in ln(k): 0.8232756541119596 """, ) entry( index = 88, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H", - kinetics = ArrheniusBM(A=(6.28654e+07,'m^3/(mol*s)'), n=-0.211676, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00579809229276, var=0.287312654976, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H - Total Standard Deviation in ln(k): 1.0891372184"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(3.16837e+06,'m^3/(mol*s)'), n=0.460513, w0=(205.5,'kJ/mol'), E0=(84.725,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_Sp-4R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_Sp-4R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H -Total Standard Deviation in ln(k): 1.0891372184""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H -Total Standard Deviation in ln(k): 1.0891372184 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 89, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C", - kinetics = ArrheniusBM(A=(9.18826e+09,'m^3/(mol*s)'), n=-0.839049, w0=(78500,'J/mol'), E0=(7850,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0465430889647, var=0.673853817501, Tref=1000.0, N=5, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C - Total Standard Deviation in ln(k): 1.76260138417"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-Sp-4R!H-3C", + kinetics = ArrheniusBM(A=(8.58356e+07,'m^3/(mol*s)'), n=0.0405873, w0=(205.5,'kJ/mol'), E0=(94.4402,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-Sp-4R!H-3C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-Sp-4R!H-3C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C -Total Standard Deviation in ln(k): 1.76260138417""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C -Total Standard Deviation in ln(k): 1.76260138417 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_3C-inRing_Ext-3C-R_Ext-4R!H-R_N-Sp-5R!H=4R!H_N-Sp-4R!H-3C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 90, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C", - kinetics = ArrheniusBM(A=(2.41364e+09,'m^3/(mol*s)'), n=-0.390932, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.00603156000563, var=0.104335976043, Tref=1000.0, N=4, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C - Total Standard Deviation in ln(k): 0.662705751806"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing", + kinetics = ArrheniusBM(A=(1.99782e+09,'m^3/(mol*s)'), n=-0.419678, w0=(205.5,'kJ/mol'), E0=(28.7159,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2680272198418019, var=4.692251029733155, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing',), comment="""BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing + Total Standard Deviation in ln(k): 5.016013032843771"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C -Total Standard Deviation in ln(k): 0.662705751806""", + shortDesc = """BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing +Total Standard Deviation in ln(k): 5.016013032843771""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C -Total Standard Deviation in ln(k): 0.662705751806 +""" +BM rule fitted to 16 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing +Total Standard Deviation in ln(k): 5.016013032843771 """, ) entry( index = 91, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R", - kinetics = ArrheniusBM(A=(4.65276e+06,'m^3/(mol*s)'), n=-1.19345e-07, w0=(132200,'J/mol'), E0=(13220,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=1.53321347418e-07, var=0.780952341849, Tref=1000.0, N=5, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R - Total Standard Deviation in ln(k): 1.77161500365"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.83153e+09,'m^3/(mol*s)'), n=-0.472098, w0=(205.5,'kJ/mol'), E0=(8.96091,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.41963027123128643, var=6.185483720472112, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R',), comment="""BM rule fitted to 13 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R + Total Standard Deviation in ln(k): 6.0402503968519925"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R -Total Standard Deviation in ln(k): 1.77161500365""", + shortDesc = """BM rule fitted to 13 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 6.0402503968519925""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R -Total Standard Deviation in ln(k): 1.77161500365 +""" +BM rule fitted to 13 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R +Total Standard Deviation in ln(k): 6.0402503968519925 """, ) entry( index = 92, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O", - kinetics = ArrheniusBM(A=(4.52905e+07,'m^3/(mol*s)'), n=-0.17, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-8.93790333559e-10, var=0.843006791659, Tref=1000.0, N=5, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O - Total Standard Deviation in ln(k): 1.84065555863"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C", + kinetics = ArrheniusBM(A=(1.21132e+09,'m^3/(mol*s)'), n=-0.304271, w0=(205.5,'kJ/mol'), E0=(84.9277,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11001570284037318, var=0.2703467101703673, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C',), comment="""BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C + Total Standard Deviation in ln(k): 1.3187808760358657"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O -Total Standard Deviation in ln(k): 1.84065555863""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C +Total Standard Deviation in ln(k): 1.3187808760358657""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O -Total Standard Deviation in ln(k): 1.84065555863 +""" +BM rule fitted to 8 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C +Total Standard Deviation in ln(k): 1.3187808760358657 """, ) entry( index = 93, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_Sp-5R!H-=4R!H", - kinetics = ArrheniusBM(A=(2.13385e+08,'m^3/(mol*s)'), n=-0.687855, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_Sp-5R!H-=4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_Sp-5R!H-=4R!H - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C", + kinetics = ArrheniusBM(A=(1.31702e+09,'m^3/(mol*s)'), n=-0.311872, w0=(205.5,'kJ/mol'), E0=(85.0263,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.08752712652122276, var=0.1390014693965761, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C',), comment="""BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C + Total Standard Deviation in ln(k): 0.9673407940389758"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_Sp-5R!H-=4R!H -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C +Total Standard Deviation in ln(k): 0.9673407940389758""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO_Sp-5R!H-=4R!H -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C +Total Standard Deviation in ln(k): 0.9673407940389758 """, ) entry( index = 94, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing_Ext-4R!H-R", - kinetics = ArrheniusBM(A=(2.67503e+10,'m^3/(mol*s)'), n=-0.732092, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing_Ext-4R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_Sp-4C=3C", + kinetics = ArrheniusBM(A=(1.7979e+07,'m^3/(mol*s)'), n=0.240345, w0=(205.5,'kJ/mol'), E0=(81.2352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_Sp-4C=3C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_Sp-4C=3C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing_Ext-4R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_Sp-4C=3C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing_Ext-4R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_Sp-4C=3C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 95, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN", - kinetics = ArrheniusBM(A=(7.82867e+07,'m^3/(mol*s)'), n=0.0631113, w0=(205250,'J/mol'), E0=(20525,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0175378549852, var=0.221368827459, Tref=1000.0, N=8, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN - Total Standard Deviation in ln(k): 0.987289785558"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C", + kinetics = ArrheniusBM(A=(2.33349e+09,'m^3/(mol*s)'), n=-0.385433, w0=(205.5,'kJ/mol'), E0=(62.7437,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06986973055216424, var=0.05124357621262757, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C',), comment="""BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C + Total Standard Deviation in ln(k): 0.6293648488406877"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN -Total Standard Deviation in ln(k): 0.987289785558""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C +Total Standard Deviation in ln(k): 0.6293648488406877""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN -Total Standard Deviation in ln(k): 0.987289785558 +""" +BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C +Total Standard Deviation in ln(k): 0.6293648488406877 """, ) entry( index = 96, - label = "Root_1R->H_2R->S", - kinetics = ArrheniusBM(A=(1.20053e+07,'m^3/(mol*s)'), n=0.538331, w0=(181667,'J/mol'), E0=(18166.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=2.2341883877, var=16.20347081, Tref=1000.0, N=3, correlation='Root_1R->H_2R->S',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_2R->S - Total Standard Deviation in ln(k): 13.6833060254"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C", + kinetics = ArrheniusBM(A=(3.1711e+07,'m^3/(mol*s)'), n=0.21519, w0=(205.5,'kJ/mol'), E0=(105.778,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.0002075092942954368, var=8.990172124599921e-08, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C + Total Standard Deviation in ln(k): 0.0011224721985031766"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_2R->S -Total Standard Deviation in ln(k): 13.6833060254""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C +Total Standard Deviation in ln(k): 0.0011224721985031766""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_2R->S -Total Standard Deviation in ln(k): 13.6833060254 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C +Total Standard Deviation in ln(k): 0.0011224721985031766 """, ) entry( index = 97, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O", - kinetics = ArrheniusBM(A=(37804.6,'m^3/(mol*s)'), n=0.550145, w0=(125643,'J/mol'), E0=(-16673.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0547341013006, var=4.25993866024, Tref=1000.0, N=28, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O - Total Standard Deviation in ln(k): 4.27521965564"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C_Ext-4C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R", + kinetics = ArrheniusBM(A=(3.16564e+07,'m^3/(mol*s)'), n=0.21546, w0=(205.5,'kJ/mol'), E0=(105.772,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C_Ext-4C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C_Ext-4C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O -Total Standard Deviation in ln(k): 4.27521965564""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C_Ext-4C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O -Total Standard Deviation in ln(k): 4.27521965564 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_Sp-4C-3C_Ext-4C-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R_Ext-11R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 98, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R", - kinetics = ArrheniusBM(A=(3.63105e+07,'m^3/(mol*s)'), n=-0.118135, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00652285405283, var=0.794920323305, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R - Total Standard Deviation in ln(k): 1.80377688208"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C", + kinetics = ArrheniusBM(A=(1.11169e+10,'m^3/(mol*s)'), n=-0.603566, w0=(205.5,'kJ/mol'), E0=(93.9262,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.21742595252866823, var=0.12210407896034299, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C + Total Standard Deviation in ln(k): 1.2468188414261385"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R -Total Standard Deviation in ln(k): 1.80377688208""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C +Total Standard Deviation in ln(k): 1.2468188414261385""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_Sp-4R!H=3R!H_Ext-1C-R -Total Standard Deviation in ln(k): 1.80377688208 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C +Total Standard Deviation in ln(k): 1.2468188414261385 """, ) entry( index = 99, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_N-Sp-4R!H-2R", - kinetics = ArrheniusBM(A=(3.45106e-07,'m^3/(mol*s)'), n=3.72998, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_N-Sp-4R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_N-Sp-4R!H-2R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C_Ext-4C-R", + kinetics = ArrheniusBM(A=(1.17785e+10,'m^3/(mol*s)'), n=-0.611491, w0=(205.5,'kJ/mol'), E0=(91.732,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C_Ext-4C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C_Ext-4C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_N-Sp-4R!H-2R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_N-Sp-4R!H-2R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_Sp-3C-2C_N-Sp-4C=3C_N-Sp-4C-3C_Ext-4C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 100, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C", - kinetics = ArrheniusBM(A=(3.7586e+07,'m^3/(mol*s)'), n=-0.395795, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00722098163323, var=0.0433403113763, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C - Total Standard Deviation in ln(k): 0.435495654232"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C", + kinetics = ArrheniusBM(A=(2.83712e+08,'m^3/(mol*s)'), n=-0.251115, w0=(205.5,'kJ/mol'), E0=(121.492,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04900385874705703, var=3.2086570313419123, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C',), comment="""BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C + Total Standard Deviation in ln(k): 3.7141520099806296"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C -Total Standard Deviation in ln(k): 0.435495654232""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 3.7141520099806296""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R_2R->C -Total Standard Deviation in ln(k): 0.435495654232 +""" +BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 3.7141520099806296 """, ) entry( index = 101, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O", - kinetics = ArrheniusBM(A=(7.88213e+06,'m^3/(mol*s)'), n=0.314663, w0=(193067,'J/mol'), E0=(19306.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.379272271586, var=0.88677526262, Tref=1000.0, N=15, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O - Total Standard Deviation in ln(k): 2.84077927867"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(5e+07,'m^3/(mol*s)'), n=0, w0=(205.5,'kJ/mol'), E0=(119.224,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O -Total Standard Deviation in ln(k): 2.84077927867""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O -Total Standard Deviation in ln(k): 2.84077927867 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_4R!H->C_N-Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 102, - label = "Root_1R->H_N-2R->S", - kinetics = ArrheniusBM(A=(4.98692e+07,'m^3/(mol*s)'), n=0.0447198, w0=(191462,'J/mol'), E0=(19146.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0663544083182, var=2.30770893713, Tref=1000.0, N=40, correlation='Root_1R->H_N-2R->S',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S - Total Standard Deviation in ln(k): 3.2121417918"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(5.15008e+19,'m^3/(mol*s)'), n=-5.14141, w0=(205.5,'kJ/mol'), E0=(140.589,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3019489816516087, var=33.39144235156441, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C',), comment="""BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C + Total Standard Deviation in ln(k): 12.343093361898859"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S -Total Standard Deviation in ln(k): 3.2121417918""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C +Total Standard Deviation in ln(k): 12.343093361898859""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S -Total Standard Deviation in ln(k): 3.2121417918 +""" +BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C +Total Standard Deviation in ln(k): 12.343093361898859 """, ) entry( index = 103, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H", - kinetics = ArrheniusBM(A=(1.57643e+07,'m^3/(mol*s)'), n=-0.222444, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0398748526415, var=2.83447135176, Tref=1000.0, N=5, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H - Total Standard Deviation in ln(k): 3.47533765731"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C", + kinetics = ArrheniusBM(A=(4.36443e+19,'m^3/(mol*s)'), n=-5.46416, w0=(205.5,'kJ/mol'), E0=(139.804,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34830808530593727, var=49.292539217588185, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C',), comment="""BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C + Total Standard Deviation in ln(k): 14.950119406858647"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -Total Standard Deviation in ln(k): 3.47533765731""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C +Total Standard Deviation in ln(k): 14.950119406858647""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H -Total Standard Deviation in ln(k): 3.47533765731 +""" +BM rule fitted to 3 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C +Total Standard Deviation in ln(k): 14.950119406858647 """, ) entry( index = 104, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO", - kinetics = ArrheniusBM(A=(7.27792e+06,'m^3/(mol*s)'), n=0.315465, w0=(187235,'J/mol'), E0=(18723.5,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.200606974831, var=0.612647101718, Tref=1000.0, N=17, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO - Total Standard Deviation in ln(k): 2.07317938705"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(6.84097e+21,'m^3/(mol*s)'), n=-5.92191, w0=(205.5,'kJ/mol'), E0=(139.268,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3347815616900648, var=90.07385025150133, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R + Total Standard Deviation in ln(k): 19.86754788222595"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO -Total Standard Deviation in ln(k): 2.07317938705""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 19.86754788222595""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO -Total Standard Deviation in ln(k): 2.07317938705 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 19.86754788222595 """, ) entry( index = 105, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C", - kinetics = ArrheniusBM(A=(6.30526e+07,'m^3/(mol*s)'), n=-0.283333, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-6.50053689359e-11, var=0.305422193575, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C - Total Standard Deviation in ln(k): 1.10791715097"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(2.29291e+24,'m^3/(mol*s)'), n=-6.27825, w0=(205.5,'kJ/mol'), E0=(140.107,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C -Total Standard Deviation in ln(k): 1.10791715097""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C -Total Standard Deviation in ln(k): 1.10791715097 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_Sp-3C-2C_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 106, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O", - kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=-1.37127e-07, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C", + kinetics = ArrheniusBM(A=(6.6015e+19,'m^3/(mol*s)'), n=-4.65728, w0=(205.5,'kJ/mol'), E0=(141.766,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.23241034472971045, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C + Total Standard Deviation in ln(k): 0.5839455897731418"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 0.5839455897731418""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 0.5839455897731418 """, ) entry( index = 107, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_N-2CNO->N", - kinetics = ArrheniusBM(A=(2.1534e+07,'m^3/(mol*s)'), n=0.0505704, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00289490297729, var=9.94451676066, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_N-2CNO->N',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_N-2CNO->N - Total Standard Deviation in ln(k): 6.32919123293"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(6.6015e+19,'m^3/(mol*s)'), n=-4.65728, w0=(205.5,'kJ/mol'), E0=(143.176,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_N-2CNO->N -Total Standard Deviation in ln(k): 6.32919123293""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R_N-2CNO->N -Total Standard Deviation in ln(k): 6.32919123293 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Ext-3C-R_N-4R!H->C_N-Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 108, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R", - kinetics = ArrheniusBM(A=(7.7e+07,'m^3/(mol*s)'), n=4.95181e-08, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Sp-3C#2C", + kinetics = ArrheniusBM(A=(1.81e+08,'m^3/(mol*s)'), n=0, w0=(205.5,'kJ/mol'), E0=(139.288,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Sp-3C#2C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Sp-3C#2C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Sp-3C#2C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_2R->C_Ext-2C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_Sp-3C#2C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 109, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O", - kinetics = ArrheniusBM(A=(122000,'m^3/(mol*s)'), n=0.2, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C", + kinetics = ArrheniusBM(A=(1.19651e+08,'m^3/(mol*s)'), n=1.7095e-11, w0=(205.5,'kJ/mol'), E0=(110.794,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16819443494880706, var=0.07267224299466107, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C + Total Standard Deviation in ln(k): 0.9630313506418621"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C +Total Standard Deviation in ln(k): 0.9630313506418621""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C +Total Standard Deviation in ln(k): 0.9630313506418621 """, ) entry( index = 110, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_N-6R!H->C", - kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=-1.37127e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_N-6R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_N-6R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_Sp-3C-2C", + kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=0, w0=(205.5,'kJ/mol'), E0=(105.714,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_Sp-3C-2C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_Sp-3C-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_N-6R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_Sp-3C-2C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_N-6R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_Sp-3C-2C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 111, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R", - kinetics = ArrheniusBM(A=(2.12455e+08,'m^3/(mol*s)'), n=-0.428757, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_N-Sp-3C-2C", + kinetics = ArrheniusBM(A=(1.21e+08,'m^3/(mol*s)'), n=0, w0=(205.5,'kJ/mol'), E0=(115.874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_N-Sp-3C-2C',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_N-Sp-3C-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-3C-inRing_N-Sp-3C#2C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 112, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing", - kinetics = ArrheniusBM(A=(199626,'m^3/(mol*s)'), n=0.610916, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0324341459036, var=0.917134149564, Tref=1000.0, N=50, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing - Total Standard Deviation in ln(k): 2.00136989945"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(2.3625e+06,'m^3/(mol*s)'), n=0.449623, w0=(205.5,'kJ/mol'), E0=(84.5781,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-5.364302582884085, var=58.955157624898376, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C',), comment="""BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C + Total Standard Deviation in ln(k): 28.870956594557356"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing -Total Standard Deviation in ln(k): 2.00136989945""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 28.870956594557356""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing -Total Standard Deviation in ln(k): 2.00136989945 +""" +BM rule fitted to 6 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 28.870956594557356 """, ) entry( index = 113, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_3R!H->O", - kinetics = ArrheniusBM(A=(7.05e+06,'m^3/(mol*s)'), n=8.99479e-09, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3ClOS->S", + kinetics = ArrheniusBM(A=(2.12532e+06,'m^3/(mol*s)'), n=0.469939, w0=(205.5,'kJ/mol'), E0=(98.4527,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3ClOS->S',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3ClOS->S + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3ClOS->S +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_N-4R!H->O_Ext-2R-R_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3ClOS->S +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 114, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R", - kinetics = ArrheniusBM(A=(1.76637e+07,'m^3/(mol*s)'), n=0.153073, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.00248871722291, var=1.13870876508, Tref=1000.0, N=5, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R - Total Standard Deviation in ln(k): 2.14551182899"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S", + kinetics = ArrheniusBM(A=(3.7835e+13,'m^3/(mol*s)'), n=-2.73588, w0=(205.5,'kJ/mol'), E0=(7.17874,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09287195291663569, var=0.210498487689372, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S',), comment="""BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S + Total Standard Deviation in ln(k): 1.1531213578230466"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -Total Standard Deviation in ln(k): 2.14551182899""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S +Total Standard Deviation in ln(k): 1.1531213578230466""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R -Total Standard Deviation in ln(k): 2.14551182899 +""" +BM rule fitted to 5 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S +Total Standard Deviation in ln(k): 1.1531213578230466 """, ) entry( index = 115, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R", - kinetics = ArrheniusBM(A=(5.66445e+06,'m^3/(mol*s)'), n=-0.45, w0=(77250,'J/mol'), E0=(7725,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=5.16655300091e-16, var=3.401841873, Tref=1000.0, N=2, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R - Total Standard Deviation in ln(k): 3.69754995947"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_3ClO->O", + kinetics = ArrheniusBM(A=(2.31504e+12,'m^3/(mol*s)'), n=-2.20453, w0=(205.5,'kJ/mol'), E0=(73.5422,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_3ClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_3ClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R -Total Standard Deviation in ln(k): 3.69754995947""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_3ClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R -Total Standard Deviation in ln(k): 3.69754995947 +""" +BM rule fitted to 1 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_3ClO->O +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 116, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0", - kinetics = ArrheniusBM(A=(6.60235e+128,'m^3/(mol*s)'), n=-37.2419, w0=(71000,'J/mol'), E0=(271802,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.394167378209, var=243.949911149, Tref=1000.0, N=2, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0 - Total Standard Deviation in ln(k): 32.3021189072"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O", + kinetics = ArrheniusBM(A=(7.60724e+13,'m^3/(mol*s)'), n=-2.86872, w0=(205.5,'kJ/mol'), E0=(70.6013,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.16831304554632454, var=0.020241279232878672, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O',), comment="""BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O + Total Standard Deviation in ln(k): 0.7081144670934144"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0 -Total Standard Deviation in ln(k): 32.3021189072""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O +Total Standard Deviation in ln(k): 0.7081144670934144""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_N-3R!H-u0 -Total Standard Deviation in ln(k): 32.3021189072 +""" +BM rule fitted to 4 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O +Total Standard Deviation in ln(k): 0.7081144670934144 """, ) entry( index = 117, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_2R-inRing", - kinetics = ArrheniusBM(A=(1.77136e+06,'m^3/(mol*s)'), n=0.0494766, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0355540882513, var=0.00255574629843, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_2R-inRing - Total Standard Deviation in ln(k): 0.190680037989"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.62297e+14,'m^3/(mol*s)'), n=-2.96586, w0=(205.5,'kJ/mol'), E0=(20.55,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1756911488172365, var=8.662493862641411e-06, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O_Ext-2C-R + Total Standard Deviation in ln(k): 0.4473354065895171"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_2R-inRing -Total Standard Deviation in ln(k): 0.190680037989""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O_Ext-2C-R +Total Standard Deviation in ln(k): 0.4473354065895171""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_2R-inRing -Total Standard Deviation in ln(k): 0.190680037989 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_2CH->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3ClOS->S_N-3ClO->O_Ext-2C-R +Total Standard Deviation in ln(k): 0.4473354065895171 """, ) entry( index = 118, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R", - kinetics = ArrheniusBM(A=(3.40832e+09,'m^3/(mol*s)'), n=-1.11667, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.14473363032e-10, var=3.4189890868, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R - Total Standard Deviation in ln(k): 3.70685712135"""), + label = "Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_N-2CH->C", + kinetics = ArrheniusBM(A=(55567.3,'m^3/(mol*s)'), n=0.364988, w0=(216,'kJ/mol'), E0=(112.137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03458487191910846, var=56.35834449117743, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_N-2CH->C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_N-2CH->C + Total Standard Deviation in ln(k): 15.136882911102552"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R -Total Standard Deviation in ln(k): 3.70685712135""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_N-2CH->C +Total Standard Deviation in ln(k): 15.136882911102552""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R -Total Standard Deviation in ln(k): 3.70685712135 +""" +BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2BrCClFHNO-inRing_N-2BrCClFHNO->O_N-2CHN->N_N-2CH->C +Total Standard Deviation in ln(k): 15.136882911102552 """, ) entry( index = 119, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H", - kinetics = ArrheniusBM(A=(3.17094e+06,'m^3/(mol*s)'), n=0.460394, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H", + kinetics = ArrheniusBM(A=(2.28856e+07,'m^3/(mol*s)'), n=0.0145805, w0=(163.041,'kJ/mol'), E0=(60.0257,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1261133691358666, var=4.555627884255527, Tref=1000.0, N=184, data_mean=0.0, correlation='Root_N-1R->H',), comment="""BM rule fitted to 184 training reactions at node Root_N-1R->H + Total Standard Deviation in ln(k): 4.595757650510032"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 184 training reactions at node Root_N-1R->H +Total Standard Deviation in ln(k): 4.595757650510032""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_Sp-4R!H=3C_3C-inRing_Ext-4R!H-R_Ext-5R!H-R_N-Sp-6R!H-5R!H -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 184 training reactions at node Root_N-1R->H +Total Standard Deviation in ln(k): 4.595757650510032 """, ) entry( index = 120, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C", - kinetics = ArrheniusBM(A=(7.84783e+07,'m^3/(mol*s)'), n=0.0629272, w0=(201667,'J/mol'), E0=(20166.7,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0177834035034, var=0.220663363462, Tref=1000.0, N=9, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C - Total Standard Deviation in ln(k): 0.986402595487"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N", + kinetics = ArrheniusBM(A=(1.28908e+12,'m^3/(mol*s)'), n=-1.44734, w0=(108.577,'kJ/mol'), E0=(90.5088,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6803343082570938, var=9.266948773022817, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N',), comment="""BM rule fitted to 13 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N + Total Standard Deviation in ln(k): 7.8121297494878315"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C -Total Standard Deviation in ln(k): 0.986402595487""", + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N +Total Standard Deviation in ln(k): 7.8121297494878315""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C -Total Standard Deviation in ln(k): 0.986402595487 +""" +BM rule fitted to 13 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N +Total Standard Deviation in ln(k): 7.8121297494878315 """, ) entry( index = 121, - label = "Root_1R->H", - kinetics = ArrheniusBM(A=(3.20048e+07,'m^3/(mol*s)'), n=0.198453, w0=(190779,'J/mol'), E0=(19077.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0115767819513, var=3.42756550074, Tref=1000.0, N=43, correlation='Root_1R->H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H - Total Standard Deviation in ln(k): 3.74059086132"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R", + kinetics = ArrheniusBM(A=(9.29993e+30,'m^3/(mol*s)'), n=-7.27836, w0=(128.438,'kJ/mol'), E0=(101.995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.12728370502763736, var=33.234134534564305, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R + Total Standard Deviation in ln(k): 11.87691642316424"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H -Total Standard Deviation in ln(k): 3.74059086132""", + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R +Total Standard Deviation in ln(k): 11.87691642316424""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H -Total Standard Deviation in ln(k): 3.74059086132 +""" +BM rule fitted to 8 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R +Total Standard Deviation in ln(k): 11.87691642316424 """, ) entry( index = 122, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R", - kinetics = ArrheniusBM(A=(1.80332e+07,'m^3/(mol*s)'), n=0.127561, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.00207394171242, var=4.85073603852, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R - Total Standard Deviation in ln(k): 4.42051694063"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0", + kinetics = ArrheniusBM(A=(1.41118e+27,'m^3/(mol*s)'), n=-6.1779, w0=(103.5,'kJ/mol'), E0=(10.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.006370659830096921, var=30.8883433868944, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0 + Total Standard Deviation in ln(k): 11.15777947190845"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R -Total Standard Deviation in ln(k): 4.42051694063""", + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0 +Total Standard Deviation in ln(k): 11.15777947190845""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-3R!H-R -Total Standard Deviation in ln(k): 4.42051694063 +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0 +Total Standard Deviation in ln(k): 11.15777947190845 """, ) entry( index = 123, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R", - kinetics = ArrheniusBM(A=(2.8345e+07,'m^3/(mol*s)'), n=-0.175, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=4.38215142465e-09, var=1.02308715893, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R - Total Standard Deviation in ln(k): 2.02774485734"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_2R->C", + kinetics = ArrheniusBM(A=(4.23489e+61,'m^3/(mol*s)'), n=-16.8824, w0=(152.5,'kJ/mol'), E0=(1.525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R -Total Standard Deviation in ln(k): 2.02774485734""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R_5R!H->C_Ext-1C-R -Total Standard Deviation in ln(k): 2.02774485734 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_2R->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 124, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing", - kinetics = ArrheniusBM(A=(6.35832e+07,'m^3/(mol*s)'), n=0.0354724, w0=(181241,'J/mol'), E0=(18124.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.256587721226, var=1.96898110437, Tref=1000.0, N=27, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing - Total Standard Deviation in ln(k): 3.45774478839"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C", + kinetics = ArrheniusBM(A=(4.60585e+10,'m^3/(mol*s)'), n=-1.0482, w0=(93.7,'kJ/mol'), E0=(61.1327,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.21860200069121408, var=0.9652198726683298, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C + Total Standard Deviation in ln(k): 2.518815345582996"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing -Total Standard Deviation in ln(k): 3.45774478839""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C +Total Standard Deviation in ln(k): 2.518815345582996""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing -Total Standard Deviation in ln(k): 3.45774478839 +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C +Total Standard Deviation in ln(k): 2.518815345582996 """, ) entry( index = 125, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R", - kinetics = ArrheniusBM(A=(3.56381e+06,'m^3/(mol*s)'), n=-0.0535546, w0=(152600,'J/mol'), E0=(15260,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0261245836817, var=0.43760691139, Tref=1000.0, N=5, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R - Total Standard Deviation in ln(k): 1.39180927994"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C", + kinetics = ArrheniusBM(A=(1.81328e+10,'m^3/(mol*s)'), n=-0.926861, w0=(92,'kJ/mol'), E0=(38.1802,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.023092714384428795, var=0.1979032497345805, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C + Total Standard Deviation in ln(k): 0.949854718861428"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R -Total Standard Deviation in ln(k): 1.39180927994""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C +Total Standard Deviation in ln(k): 0.949854718861428""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R -Total Standard Deviation in ln(k): 1.39180927994 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C +Total Standard Deviation in ln(k): 0.949854718861428 """, ) entry( index = 126, - label = "Root_N-1R->H_1CNOS->N_Ext-1N-R", - kinetics = ArrheniusBM(A=(6.74236e+06,'m^3/(mol*s)'), n=0.142499, w0=(77250,'J/mol'), E0=(7725,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0607054911525, var=1.94482475529, Tref=1000.0, N=4, correlation='Root_N-1R->H_1CNOS->N_Ext-1N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R - Total Standard Deviation in ln(k): 2.94826923214"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R", + kinetics = ArrheniusBM(A=(7.65893e+11,'m^3/(mol*s)'), n=-1.44419, w0=(100.5,'kJ/mol'), E0=(40.1586,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R -Total Standard Deviation in ln(k): 2.94826923214""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-1N-R -Total Standard Deviation in ln(k): 2.94826923214 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_3R!H->C_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 127, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R", - kinetics = ArrheniusBM(A=(106477,'m^3/(mol*s)'), n=0.348287, w0=(140789,'J/mol'), E0=(14078.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0108230153501, var=2.70964383578, Tref=1000.0, N=19, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R - Total Standard Deviation in ln(k): 3.32718707999"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C", + kinetics = ArrheniusBM(A=(9.42742e+16,'m^3/(mol*s)'), n=-3.16695, w0=(94.8333,'kJ/mol'), E0=(69.7205,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.8482384528447815, var=2.8535549893045737, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C + Total Standard Deviation in ln(k): 5.517744849639554"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R -Total Standard Deviation in ln(k): 3.32718707999""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C +Total Standard Deviation in ln(k): 5.517744849639554""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R -Total Standard Deviation in ln(k): 3.32718707999 +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C +Total Standard Deviation in ln(k): 5.517744849639554 """, ) entry( index = 128, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R", - kinetics = ArrheniusBM(A=(8.92033e+06,'m^3/(mol*s)'), n=1.17885e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0370545850026, var=0.142813102216, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R - Total Standard Deviation in ln(k): 0.850703803965"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R", + kinetics = ArrheniusBM(A=(2.55463e+12,'m^3/(mol*s)'), n=-2.07, w0=(92,'kJ/mol'), E0=(41.4606,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2073116437415204, var=2.406300035478217, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R + Total Standard Deviation in ln(k): 3.6306793661188173"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R -Total Standard Deviation in ln(k): 0.850703803965""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R +Total Standard Deviation in ln(k): 3.6306793661188173""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R -Total Standard Deviation in ln(k): 0.850703803965 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R +Total Standard Deviation in ln(k): 3.6306793661188173 """, ) entry( index = 129, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C_Ext-1S-R", - kinetics = ArrheniusBM(A=(9.40412e+06,'m^3/(mol*s)'), n=0.634469, w0=(113000,'J/mol'), E0=(11300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C_Ext-1S-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C_Ext-1S-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O", + kinetics = ArrheniusBM(A=(122000,'m^3/(mol*s)'), n=0.2, w0=(100.5,'kJ/mol'), E0=(20.1213,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C_Ext-1S-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_N-1CS->C_Ext-1S-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_2NO->O +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 130, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O", - kinetics = ArrheniusBM(A=(9.10287e+13,'m^3/(mol*s)'), n=-2.74437, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O", + kinetics = ArrheniusBM(A=(2.63e+08,'m^3/(mol*s)'), n=-1.1, w0=(83.5,'kJ/mol'), E0=(13.7525,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_3R!H-u0_N-2R->C_N-3R!H->C_Ext-1N-R_N-2NO->O +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 131, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_N-4R!H->C", - kinetics = ArrheniusBM(A=(1.51e+07,'m^3/(mol*s)'), n=2.42855e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_N-4R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0", + kinetics = ArrheniusBM(A=(2.33856e+31,'m^3/(mol*s)'), n=-8.22442, w0=(100.5,'kJ/mol'), E0=(58.8122,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1670620681254752, var=233.88139069458302, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0 + Total Standard Deviation in ln(k): 31.078530702420622"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_N-4R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0 +Total Standard Deviation in ln(k): 31.078530702420622""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_N-4R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0 +Total Standard Deviation in ln(k): 31.078530702420622 """, ) entry( index = 132, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R", - kinetics = ArrheniusBM(A=(3.24036e+06,'m^3/(mol*s)'), n=3.5707e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-8.50055194392e-09, var=0.0475248579916, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R - Total Standard Deviation in ln(k): 0.437036213272"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R", + kinetics = ArrheniusBM(A=(1.22632e+19,'m^3/(mol*s)'), n=-4.10329, w0=(100.5,'kJ/mol'), E0=(1.21995,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R -Total Standard Deviation in ln(k): 0.437036213272""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R -Total Standard Deviation in ln(k): 0.437036213272 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-2R-R_N-3R!H-u0_Ext-1N-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 133, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R", - kinetics = ArrheniusBM(A=(1.62598e+07,'m^3/(mol*s)'), n=0.255122, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.00414786628487, var=0.0, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R - Total Standard Deviation in ln(k): 0.0104217745851"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R", + kinetics = ArrheniusBM(A=(1.02626e+07,'m^3/(mol*s)'), n=0.0868089, w0=(126.5,'kJ/mol'), E0=(45.967,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1919442187735095, var=4.547212141637392, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R + Total Standard Deviation in ln(k): 4.757207710086374"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -Total Standard Deviation in ln(k): 0.0104217745851""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R +Total Standard Deviation in ln(k): 4.757207710086374""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_Ext-2CN-R_Ext-2CN-R -Total Standard Deviation in ln(k): 0.0104217745851 +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R +Total Standard Deviation in ln(k): 4.757207710086374 """, ) entry( index = 134, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O", - kinetics = ArrheniusBM(A=(590543,'m^3/(mol*s)'), n=0.538327, w0=(171033,'J/mol'), E0=(17103.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0201293645259, var=3.62478427822, Tref=1000.0, N=61, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O - Total Standard Deviation in ln(k): 3.86736459191"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R", + kinetics = ArrheniusBM(A=(7.93988e+11,'m^3/(mol*s)'), n=-1.2959, w0=(117.833,'kJ/mol'), E0=(116.074,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.3470375777548632, var=2.8582163193257277, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R + Total Standard Deviation in ln(k): 4.261210986039267"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O -Total Standard Deviation in ln(k): 3.86736459191""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R +Total Standard Deviation in ln(k): 4.261210986039267""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O -Total Standard Deviation in ln(k): 3.86736459191 +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R +Total Standard Deviation in ln(k): 4.261210986039267 """, ) entry( index = 135, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_2R-inRing", - kinetics = ArrheniusBM(A=(5.7e+06,'m^3/(mol*s)'), n=1.36803e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_2R-inRing - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_2R->C", + kinetics = ArrheniusBM(A=(1.33461e+13,'m^3/(mol*s)'), n=-1.66494, w0=(152.5,'kJ/mol'), E0=(63.1547,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_2R-inRing -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_2R-inRing -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_2R->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 136, - label = "Root_N-1R->H_N-1CNOS->N", - kinetics = ArrheniusBM(A=(388820,'m^3/(mol*s)'), n=0.540123, w0=(156753,'J/mol'), E0=(-102376,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0275389427923, var=4.36991544586, Tref=1000.0, N=89, correlation='Root_N-1R->H_N-1CNOS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N - Total Standard Deviation in ln(k): 4.25996023581"""), + label = "Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_N-2R->C", + kinetics = ArrheniusBM(A=(3.65367e+06,'m^3/(mol*s)'), n=0.2352, w0=(100.5,'kJ/mol'), E0=(52.3217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.47095022036263345, var=0.4813240235668661, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_N-2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_N-2R->C + Total Standard Deviation in ln(k): 2.574127483627416"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N -Total Standard Deviation in ln(k): 4.25996023581""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_N-2R->C +Total Standard Deviation in ln(k): 2.574127483627416""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N -Total Standard Deviation in ln(k): 4.25996023581 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_1BrCClFINOPSSi->N_Ext-1N-R_Ext-1N-R_N-2R->C +Total Standard Deviation in ln(k): 2.574127483627416 """, ) entry( index = 137, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O", - kinetics = ArrheniusBM(A=(1.54072e+07,'m^3/(mol*s)'), n=-6.19948e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.142131114327, var=0.0599978326704, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O - Total Standard Deviation in ln(k): 0.848162284374"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N", + kinetics = ArrheniusBM(A=(2.93721e+06,'m^3/(mol*s)'), n=0.288859, w0=(167.181,'kJ/mol'), E0=(60.3825,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12020360967739878, var=4.711449572538075, Tref=1000.0, N=171, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N',), comment="""BM rule fitted to 171 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N + Total Standard Deviation in ln(k): 4.653471778252971"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O -Total Standard Deviation in ln(k): 0.848162284374""", + shortDesc = """BM rule fitted to 171 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N +Total Standard Deviation in ln(k): 4.653471778252971""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O -Total Standard Deviation in ln(k): 0.848162284374 +""" +BM rule fitted to 171 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N +Total Standard Deviation in ln(k): 4.653471778252971 """, ) entry( index = 138, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C", - kinetics = ArrheniusBM(A=(2.58432e+07,'m^3/(mol*s)'), n=-0.0956355, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0184614839253, var=0.814135090552, Tref=1000.0, N=5, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C - Total Standard Deviation in ln(k): 1.85524676771"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl", + kinetics = ArrheniusBM(A=(3.77965e+12,'m^3/(mol*s)'), n=-1.89404, w0=(162.442,'kJ/mol'), E0=(16.2442,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.15648417958656624, var=13.849946630363993, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl',), comment="""BM rule fitted to 26 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl + Total Standard Deviation in ln(k): 7.853901451365102"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C -Total Standard Deviation in ln(k): 1.85524676771""", + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl +Total Standard Deviation in ln(k): 7.853901451365102""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C -Total Standard Deviation in ln(k): 1.85524676771 +""" +BM rule fitted to 26 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl +Total Standard Deviation in ln(k): 7.853901451365102 """, ) entry( index = 139, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C", - kinetics = ArrheniusBM(A=(113109,'m^3/(mol*s)'), n=0.518507, w0=(139000,'J/mol'), E0=(13900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0123104015705, var=1.98462212699, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C - Total Standard Deviation in ln(k): 2.8551336178"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C", + kinetics = ArrheniusBM(A=(3.27007e+13,'m^3/(mol*s)'), n=-2.12465, w0=(163.5,'kJ/mol'), E0=(124.399,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.012957707495321292, var=13.73369341993895, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C',), comment="""BM rule fitted to 25 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C + Total Standard Deviation in ln(k): 7.461904401341154"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C -Total Standard Deviation in ln(k): 2.8551336178""", + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C +Total Standard Deviation in ln(k): 7.461904401341154""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_2R->C -Total Standard Deviation in ln(k): 2.8551336178 +""" +BM rule fitted to 25 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C +Total Standard Deviation in ln(k): 7.461904401341154 """, ) entry( index = 140, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R", - kinetics = ArrheniusBM(A=(37016,'m^3/(mol*s)'), n=0.5518, w0=(132200,'J/mol'), E0=(-16592.2,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0638405962927, var=4.31215946294, Tref=1000.0, N=25, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R - Total Standard Deviation in ln(k): 4.32338419159"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(2.74322e+13,'m^3/(mol*s)'), n=-2.09051, w0=(163.5,'kJ/mol'), E0=(127.609,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0011055911007469387, var=14.347479877596948, Tref=1000.0, N=24, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R',), comment="""BM rule fitted to 24 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R + Total Standard Deviation in ln(k): 7.596326899335355"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R -Total Standard Deviation in ln(k): 4.32338419159""", + shortDesc = """BM rule fitted to 24 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R +Total Standard Deviation in ln(k): 7.596326899335355""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R -Total Standard Deviation in ln(k): 4.32338419159 +""" +BM rule fitted to 24 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R +Total Standard Deviation in ln(k): 7.596326899335355 """, ) entry( index = 141, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O", - kinetics = ArrheniusBM(A=(2.80515e+06,'m^3/(mol*s)'), n=0.314888, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F", + kinetics = ArrheniusBM(A=(1.45492e+14,'m^3/(mol*s)'), n=-1.95635, w0=(163.5,'kJ/mol'), E0=(62.5786,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.22403213467765656, var=44.10639172454973, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F + Total Standard Deviation in ln(k): 13.876870344724166"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F +Total Standard Deviation in ln(k): 13.876870344724166""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O_N-3R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F +Total Standard Deviation in ln(k): 13.876870344724166 """, ) entry( index = 142, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R", - kinetics = ArrheniusBM(A=(3.02093e+07,'m^3/(mol*s)'), n=0.125846, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.344634126617, var=1.10803912264, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R - Total Standard Deviation in ln(k): 2.97616794166"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.55598e+15,'m^3/(mol*s)'), n=-2.44544, w0=(163.5,'kJ/mol'), E0=(57.1957,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2809355785089933, var=64.03755998098522, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R + Total Standard Deviation in ln(k): 16.748454329803657"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 2.97616794166""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R +Total Standard Deviation in ln(k): 16.748454329803657""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R -Total Standard Deviation in ln(k): 2.97616794166 +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R +Total Standard Deviation in ln(k): 16.748454329803657 """, ) entry( index = 143, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R", - kinetics = ArrheniusBM(A=(1.36745e+07,'m^3/(mol*s)'), n=-0.263863, w0=(139000,'J/mol'), E0=(13900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00481396807501, var=0.0768145972539, Tref=1000.0, N=3, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R - Total Standard Deviation in ln(k): 0.567716674236"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->Cl", + kinetics = ArrheniusBM(A=(1.85364e+42,'m^3/(mol*s)'), n=-9.9178, w0=(163.5,'kJ/mol'), E0=(1.635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R -Total Standard Deviation in ln(k): 0.567716674236""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Sp-4R!H-2R -Total Standard Deviation in ln(k): 0.567716674236 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_4R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 144, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C", - kinetics = ArrheniusBM(A=(91220.9,'m^3/(mol*s)'), n=0.645371, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0563208528418, var=0.081353830223, Tref=1000.0, N=8, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C - Total Standard Deviation in ln(k): 0.713312104122"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl", + kinetics = ArrheniusBM(A=(1.20701e+07,'m^3/(mol*s)'), n=0.0453429, w0=(163.5,'kJ/mol'), E0=(81.7588,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.058886864375418395, var=9.360080764723941, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl + Total Standard Deviation in ln(k): 6.2812933744157595"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C -Total Standard Deviation in ln(k): 0.713312104122""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl +Total Standard Deviation in ln(k): 6.2812933744157595""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C -Total Standard Deviation in ln(k): 0.713312104122 +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl +Total Standard Deviation in ln(k): 6.2812933744157595 """, ) entry( index = 145, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R", - kinetics = ArrheniusBM(A=(4.61526e+07,'m^3/(mol*s)'), n=-0.2125, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=4.11811042808e-10, var=0.384383286643, Tref=1000.0, N=4, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R - Total Standard Deviation in ln(k): 1.24290872788"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_4BrCFINOPSSi->O", + kinetics = ArrheniusBM(A=(1.46348e+06,'m^3/(mol*s)'), n=0.110251, w0=(163.5,'kJ/mol'), E0=(81.5572,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_4BrCFINOPSSi->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_4BrCFINOPSSi->O + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R -Total Standard Deviation in ln(k): 1.24290872788""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_4BrCFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_3R!H->O_Ext-1C-R -Total Standard Deviation in ln(k): 1.24290872788 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_4BrCFINOPSSi->O +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 146, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R", - kinetics = ArrheniusBM(A=(45504,'m^3/(mol*s)'), n=0.740315, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0441547038934, var=0.0, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R - Total Standard Deviation in ln(k): 0.110941467069"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O", + kinetics = ArrheniusBM(A=(3.46638e+07,'m^3/(mol*s)'), n=0.0128888, w0=(163.5,'kJ/mol'), E0=(81.8596,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05069508969883262, var=16.30368745872988, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O + Total Standard Deviation in ln(k): 8.222058795330017"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R -Total Standard Deviation in ln(k): 0.110941467069""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O +Total Standard Deviation in ln(k): 8.222058795330017""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_N-2R->C_Ext-1C-R -Total Standard Deviation in ln(k): 0.110941467069 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O +Total Standard Deviation in ln(k): 8.222058795330017 """, ) entry( index = 147, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_2R->C", - kinetics = ArrheniusBM(A=(6.89518e+73,'m^3/(mol*s)'), n=-21.0166, w0=(83500,'J/mol'), E0=(8350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_2R->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.80246e+06,'m^3/(mol*s)'), n=0.0257777, w0=(163.5,'kJ/mol'), E0=(74.5352,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_2R->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R_3R!H-u0_2R->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_3R!H->F_Ext-2C-R_N-4R!H->Cl_N-4BrCFINOPSSi->O_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 148, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing", - kinetics = ArrheniusBM(A=(7.49725e+08,'m^3/(mol*s)'), n=-0.546607, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0173097986373, var=0.452291225768, Tref=1000.0, N=9, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing - Total Standard Deviation in ln(k): 1.39172842662"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F", + kinetics = ArrheniusBM(A=(3.48972e+13,'m^3/(mol*s)'), n=-2.21039, w0=(163.5,'kJ/mol'), E0=(145.241,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.019339439580997302, var=7.8289083206571455, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F',), comment="""BM rule fitted to 19 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F + Total Standard Deviation in ln(k): 5.657877675440784"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing -Total Standard Deviation in ln(k): 1.39172842662""", + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F +Total Standard Deviation in ln(k): 5.657877675440784""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing -Total Standard Deviation in ln(k): 1.39172842662 +""" +BM rule fitted to 19 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F +Total Standard Deviation in ln(k): 5.657877675440784 """, ) entry( index = 149, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C_Ext-1C-R", - kinetics = ArrheniusBM(A=(129687,'m^3/(mol*s)'), n=0.801692, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C_Ext-1C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(1.13891e+12,'m^3/(mol*s)'), n=-1.66575, w0=(163.5,'kJ/mol'), E0=(16.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04609020162126216, var=5.730545793899475, Tref=1000.0, N=15, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C',), comment="""BM rule fitted to 15 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C + Total Standard Deviation in ln(k): 4.914851304048008"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 15 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 4.914851304048008""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_N-3R!H->C_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 15 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 4.914851304048008 """, ) entry( index = 150, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-4R!H-R", - kinetics = ArrheniusBM(A=(3.78708e+06,'m^3/(mol*s)'), n=-0.129357, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-4R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C", + kinetics = ArrheniusBM(A=(2.2655e+10,'m^3/(mol*s)'), n=-1.17544, w0=(163.5,'kJ/mol'), E0=(118.468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09538662893606398, var=9.159880637656538, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C',), comment="""BM rule fitted to 10 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C + Total Standard Deviation in ln(k): 6.30705468971594"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-4R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C +Total Standard Deviation in ln(k): 6.30705468971594""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Ext-2R-R_Ext-4R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 10 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C +Total Standard Deviation in ln(k): 6.30705468971594 """, ) entry( index = 151, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R", - kinetics = ArrheniusBM(A=(1.1386e+07,'m^3/(mol*s)'), n=0.308956, w0=(171833,'J/mol'), E0=(17183.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-1.11188672232, var=3.33851088254, Tref=1000.0, N=3, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R - Total Standard Deviation in ln(k): 6.45665544921"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R", + kinetics = ArrheniusBM(A=(3.46812e+08,'m^3/(mol*s)'), n=-0.724216, w0=(163.5,'kJ/mol'), E0=(37.7578,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26559035564746014, var=12.14702562549829, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R + Total Standard Deviation in ln(k): 7.654332078922364"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R -Total Standard Deviation in ln(k): 6.45665544921""", + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 7.654332078922364""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-3CS-R -Total Standard Deviation in ln(k): 6.45665544921 +""" +BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 7.654332078922364 """, ) entry( index = 152, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O", - kinetics = ArrheniusBM(A=(2.61215e+06,'m^3/(mol*s)'), n=0.325758, w0=(143500,'J/mol'), E0=(14350,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.336871845639, var=0.241325868577, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O - Total Standard Deviation in ln(k): 1.83123636332"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(5.93132e+10,'m^3/(mol*s)'), n=-1.22628, w0=(163.5,'kJ/mol'), E0=(62.6353,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13970672475364135, var=10.687591922547561, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 6.90487831417212"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O -Total Standard Deviation in ln(k): 1.83123636332""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.90487831417212""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_2CNO->O -Total Standard Deviation in ln(k): 1.83123636332 +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 6.90487831417212 """, ) entry( index = 153, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_N-4R!H->C", - kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=-1.42812e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_N-4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_N-4R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(228516,'m^3/(mol*s)'), n=0.317874, w0=(163.5,'kJ/mol'), E0=(69.7597,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04499257574084583, var=20.619355759337463, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 9.216256124574329"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_N-4R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 9.216256124574329""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Sp-3R!H-2R_3R!H->C_2R->C_Ext-1C-R_N-4R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 9.216256124574329 """, ) entry( index = 154, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O", - kinetics = ArrheniusBM(A=(3.5e+06,'m^3/(mol*s)'), n=1.0712e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_5R!H->F", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=2.48906e-08, w0=(163.5,'kJ/mol'), E0=(60.9633,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_N-Sp-4R!H-2R_4R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 155, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_N-7R!H->O", - kinetics = ArrheniusBM(A=(4.12e+09,'m^3/(mol*s)'), n=-1.1, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_N-7R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_N-7R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_N-5R!H->F", + kinetics = ArrheniusBM(A=(5221.95,'m^3/(mol*s)'), n=0.635748, w0=(163.5,'kJ/mol'), E0=(65.7136,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_N-5R!H->F',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_N-5R!H->F + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_N-7R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_N-7R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R_Ext-3C-R_N-5R!H->F +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 156, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R", - kinetics = ArrheniusBM(A=(3.18795e+10,'m^3/(mol*s)'), n=-1.17734, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.298025015457, var=0.3094099417, Tref=1000.0, N=5, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R - Total Standard Deviation in ln(k): 1.86393303255"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(3.13552e+14,'m^3/(mol*s)'), n=-2.31938, w0=(163.5,'kJ/mol'), E0=(68.0308,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -Total Standard Deviation in ln(k): 1.86393303255""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R -Total Standard Deviation in ln(k): 1.86393303255 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 157, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-1C-R", - kinetics = ArrheniusBM(A=(3.25e+08,'m^3/(mol*s)'), n=-0.7, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-1C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(0.0029093,'m^3/(mol*s)'), n=2.14648, w0=(163.5,'kJ/mol'), E0=(16.35,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 158, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R", - kinetics = ArrheniusBM(A=(2.14111e+08,'m^3/(mol*s)'), n=-0.500739, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.279825822694, var=1.16058598837, Tref=1000.0, N=6, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R - Total Standard Deviation in ln(k): 2.86279100961"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_4R!H->C", + kinetics = ArrheniusBM(A=(3.38331e+10,'m^3/(mol*s)'), n=-1.44396, w0=(163.5,'kJ/mol'), E0=(137.524,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R -Total Standard Deviation in ln(k): 2.86279100961""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R -Total Standard Deviation in ln(k): 2.86279100961 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 159, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R", - kinetics = ArrheniusBM(A=(7.6895e+08,'m^3/(mol*s)'), n=-0.811251, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.000621224287992, var=1.52046208061, Tref=1000.0, N=7, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R - Total Standard Deviation in ln(k): 2.47353991738"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(4.95357e+08,'m^3/(mol*s)'), n=-0.866913, w0=(163.5,'kJ/mol'), E0=(139.111,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R -Total Standard Deviation in ln(k): 2.47353991738""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R -Total Standard Deviation in ln(k): 2.47353991738 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-2C-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 160, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R", - kinetics = ArrheniusBM(A=(3.48129e+07,'m^3/(mol*s)'), n=-0.157514, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(1.65838e+13,'m^3/(mol*s)'), n=-1.74873, w0=(163.5,'kJ/mol'), E0=(64.663,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-3C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 161, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R", - kinetics = ArrheniusBM(A=(2.4834e+08,'m^3/(mol*s)'), n=-0.557189, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00108714239892, var=1.14816174436, Tref=1000.0, N=4, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R - Total Standard Deviation in ln(k): 2.15085144951"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C", + kinetics = ArrheniusBM(A=(6.30746e+17,'m^3/(mol*s)'), n=-3.317, w0=(163.5,'kJ/mol'), E0=(87.541,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09093972422750127, var=1.5234337678964684, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C + Total Standard Deviation in ln(k): 2.702885338679541"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R -Total Standard Deviation in ln(k): 2.15085144951""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 2.702885338679541""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O_Ext-1C-R -Total Standard Deviation in ln(k): 2.15085144951 +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C +Total Standard Deviation in ln(k): 2.702885338679541 """, ) entry( index = 162, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R_Ext-2CNO-R", - kinetics = ArrheniusBM(A=(3.10431e+07,'m^3/(mol*s)'), n=0.0432612, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R_Ext-2CNO-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R_Ext-2CNO-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R", + kinetics = ArrheniusBM(A=(1.84656e+14,'m^3/(mol*s)'), n=-2.20814, w0=(163.5,'kJ/mol'), E0=(83.7345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.10977590784692547, var=2.4938126900982676, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R + Total Standard Deviation in ln(k): 3.4416584458550132"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R_Ext-2CNO-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 3.4416584458550132""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H_Ext-5R!H-R_Ext-5R!H-R_Ext-2CNO-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R +Total Standard Deviation in ln(k): 3.4416584458550132 """, ) entry( index = 163, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C", - kinetics = ArrheniusBM(A=(1.57e+07,'m^3/(mol*s)'), n=1.44035e-07, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(8.1925e+11,'m^3/(mol*s)'), n=-1.52514, w0=(163.5,'kJ/mol'), E0=(97.8768,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.04656700350726976, var=0.3699213630204074, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R + Total Standard Deviation in ln(k): 1.33630567121414"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.33630567121414""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_N-2R->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R +Total Standard Deviation in ln(k): 1.33630567121414 """, ) entry( index = 164, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O", - kinetics = ArrheniusBM(A=(8.15666e+12,'m^3/(mol*s)'), n=-1.49308, w0=(186750,'J/mol'), E0=(18675,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.399348053434, var=9.35827249741, Tref=1000.0, N=6, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O - Total Standard Deviation in ln(k): 7.13613102162"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R", + kinetics = ArrheniusBM(A=(4.09626e+13,'m^3/(mol*s)'), n=-2.05815, w0=(163.5,'kJ/mol'), E0=(95.3094,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O -Total Standard Deviation in ln(k): 7.13613102162""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O -Total Standard Deviation in ln(k): 7.13613102162 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-2C-R_Ext-3C-R_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 165, - label = "Root_N-1R->H_1CNOS->N", - kinetics = ArrheniusBM(A=(4.41861e+11,'m^3/(mol*s)'), n=-1.35036, w0=(77730.8,'J/mol'), E0=(47723.8,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.522069824462, var=8.72526504015, Tref=1000.0, N=13, correlation='Root_N-1R->H_1CNOS->N',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N - Total Standard Deviation in ln(k): 7.23343188649"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-3C-R", + kinetics = ArrheniusBM(A=(3.27064e+20,'m^3/(mol*s)'), n=-4.11807, w0=(163.5,'kJ/mol'), E0=(80.933,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-3C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-3C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N -Total Standard Deviation in ln(k): 7.23343188649""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N -Total Standard Deviation in ln(k): 7.23343188649 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_3BrCClINOPSSi->C_N-Sp-3C-2C_Ext-3C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 166, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_4R!H->C", - kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=-1.42812e-07, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_4R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C", + kinetics = ArrheniusBM(A=(1.32222e+12,'m^3/(mol*s)'), n=-2.2486, w0=(163.5,'kJ/mol'), E0=(2.48328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19554063196991378, var=6.967896071248746, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C + Total Standard Deviation in ln(k): 5.783161729669141"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_4R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 5.783161729669141""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_3R!H->O_Ext-1C-R_4R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C +Total Standard Deviation in ln(k): 5.783161729669141 """, ) entry( index = 167, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R", - kinetics = ArrheniusBM(A=(1.95338e+06,'m^3/(mol*s)'), n=0.346862, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3BrClO->O", + kinetics = ArrheniusBM(A=(5593.5,'m^3/(mol*s)'), n=0.141043, w0=(163.5,'kJ/mol'), E0=(127.231,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3BrClO->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3BrClO->O + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3BrClO->O +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-3R!H-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_3BrClO->O +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 168, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing", - kinetics = ArrheniusBM(A=(2.43996e+07,'m^3/(mol*s)'), n=0.0713965, w0=(212091,'J/mol'), E0=(21209.1,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.10688619938, var=4.94781535513, Tref=1000.0, N=11, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing - Total Standard Deviation in ln(k): 4.72782790609"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O", + kinetics = ArrheniusBM(A=(8.17544e+14,'m^3/(mol*s)'), n=-3.04515, w0=(163.5,'kJ/mol'), E0=(32.1895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11357896036203688, var=3.090768340203733, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O + Total Standard Deviation in ln(k): 3.8098150460622713"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing -Total Standard Deviation in ln(k): 4.72782790609""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O +Total Standard Deviation in ln(k): 3.8098150460622713""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing -Total Standard Deviation in ln(k): 4.72782790609 +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O +Total Standard Deviation in ln(k): 3.8098150460622713 """, ) entry( index = 169, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R", - kinetics = ArrheniusBM(A=(5.95927e+08,'m^3/(mol*s)'), n=-0.639165, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0851650107975, var=0.528125578779, Tref=1000.0, N=11, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R - Total Standard Deviation in ln(k): 1.67086850823"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R", + kinetics = ArrheniusBM(A=(9.5271e+11,'m^3/(mol*s)'), n=-2.09678, w0=(163.5,'kJ/mol'), E0=(3.44407,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.7272315810012803, var=16.99112902181845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R + Total Standard Deviation in ln(k): 10.090792599637137"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R -Total Standard Deviation in ln(k): 1.67086850823""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R +Total Standard Deviation in ln(k): 10.090792599637137""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R -Total Standard Deviation in ln(k): 1.67086850823 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R +Total Standard Deviation in ln(k): 10.090792599637137 """, ) entry( index = 170, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_N-3R!H->C", - kinetics = ArrheniusBM(A=(2.8686e+06,'m^3/(mol*s)'), n=0.425846, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_N-3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_N-3R!H->C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.98116e+19,'m^3/(mol*s)'), n=-4.24465, w0=(163.5,'kJ/mol'), E0=(158.462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_N-3R!H->C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_N-3R!H->C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_2R->C_Ext-2C-R_N-3R!H->F_N-3BrCClINOPSSi->C_N-3BrClO->O_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 171, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O", - kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=1.78837e-07, w0=(71000,'J/mol'), E0=(7100,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_N-2R->C", + kinetics = ArrheniusBM(A=(3.24625e+12,'m^3/(mol*s)'), n=-2.82209, w0=(136,'kJ/mol'), E0=(81.9052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_N-2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_N-2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_2OS->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_1BrCClFOS->Cl_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 172, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O", - kinetics = ArrheniusBM(A=(2.49263e+08,'m^3/(mol*s)'), n=-0.519467, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.00186367249776, var=0.658318197044, Tref=1000.0, N=7, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O - Total Standard Deviation in ln(k): 1.6312606891"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl", + kinetics = ArrheniusBM(A=(2.79887e+06,'m^3/(mol*s)'), n=0.29645, w0=(168.031,'kJ/mol'), E0=(60.4236,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.12137033811528962, var=4.676159199737414, Tref=1000.0, N=145, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl',), comment="""BM rule fitted to 145 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl + Total Standard Deviation in ln(k): 4.6400756882615175"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O -Total Standard Deviation in ln(k): 1.6312606891""", + shortDesc = """BM rule fitted to 145 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl +Total Standard Deviation in ln(k): 4.6400756882615175""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_N-3R!H->O -Total Standard Deviation in ln(k): 1.6312606891 +""" +BM rule fitted to 145 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl +Total Standard Deviation in ln(k): 4.6400756882615175 """, ) entry( index = 173, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing", - kinetics = ArrheniusBM(A=(2.5021e+10,'m^3/(mol*s)'), n=-0.72284, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.21796197679, var=0.116043798991, Tref=1000.0, N=2, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing - Total Standard Deviation in ln(k): 1.23056021221"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O", + kinetics = ArrheniusBM(A=(12673.2,'m^3/(mol*s)'), n=0.690283, w0=(161.911,'kJ/mol'), E0=(-0.622409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3812446254077848, var=7.83911918926562, Tref=1000.0, N=28, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O',), comment="""BM rule fitted to 28 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O + Total Standard Deviation in ln(k): 6.570843956679056"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing -Total Standard Deviation in ln(k): 1.23056021221""", + shortDesc = """BM rule fitted to 28 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O +Total Standard Deviation in ln(k): 6.570843956679056""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_N-Sp-4R!H-3C_N-3C-inRing -Total Standard Deviation in ln(k): 1.23056021221 +""" +BM rule fitted to 28 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O +Total Standard Deviation in ln(k): 6.570843956679056 """, ) entry( index = 174, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_Sp-4R!H-3C", - kinetics = ArrheniusBM(A=(9.17499e+07,'m^3/(mol*s)'), n=0.115342, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_Sp-4R!H-3C',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_Sp-4R!H-3C - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R", + kinetics = ArrheniusBM(A=(22168.4,'m^3/(mol*s)'), n=0.619748, w0=(164.18,'kJ/mol'), E0=(1.07368,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.38247444085384447, var=7.8122814551813935, Tref=1000.0, N=25, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R',), comment="""BM rule fitted to 25 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R + Total Standard Deviation in ln(k): 6.564317570201389"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_Sp-4R!H-3C -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 25 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R +Total Standard Deviation in ln(k): 6.564317570201389""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_N-Sp-3R!H=2CCNNOO_N-2CNO->O_3R!H->C_Sp-3C-2CN_Ext-3C-R_N-Sp-4R!H=3C_Sp-4R!H-3C -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 25 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R +Total Standard Deviation in ln(k): 6.564317570201389 """, ) entry( index = 175, - label = "Root", - kinetics = ArrheniusBM(A=(7.25239e+06,'m^3/(mol*s)'), n=0.211611, w0=(159759,'J/mol'), E0=(7480.68,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0396322771044, var=5.01691061618, Tref=1000.0, N=145, correlation='Root',), comment="""BM rule fitted to 2 training reactions at node Root - Total Standard Deviation in ln(k): 4.58987665919"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O", + kinetics = ArrheniusBM(A=(9113.57,'m^3/(mol*s)'), n=0.726393, w0=(176.553,'kJ/mol'), E0=(-0.620585,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4505290767586665, var=8.864077938153839, Tref=1000.0, N=19, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O',), comment="""BM rule fitted to 19 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O + Total Standard Deviation in ln(k): 7.100600441070029"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root -Total Standard Deviation in ln(k): 4.58987665919""", + shortDesc = """BM rule fitted to 19 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O +Total Standard Deviation in ln(k): 7.100600441070029""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root -Total Standard Deviation in ln(k): 4.58987665919 +""" +BM rule fitted to 19 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O +Total Standard Deviation in ln(k): 7.100600441070029 """, ) entry( index = 176, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R", - kinetics = ArrheniusBM(A=(1.76793e+10,'m^3/(mol*s)'), n=-1.00291, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C", + kinetics = ArrheniusBM(A=(3.93796e+08,'m^3/(mol*s)'), n=-0.660794, w0=(179,'kJ/mol'), E0=(55.7639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0648808092294275, var=0.4017020872719151, Tref=1000.0, N=18, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C',), comment="""BM rule fitted to 18 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C + Total Standard Deviation in ln(k): 1.4336176428223202"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 18 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C +Total Standard Deviation in ln(k): 1.4336176428223202""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 18 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C +Total Standard Deviation in ln(k): 1.4336176428223202 """, ) entry( index = 177, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R", - kinetics = ArrheniusBM(A=(101631,'m^3/(mol*s)'), n=0.35323, w0=(139000,'J/mol'), E0=(13900,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0148472730165, var=2.75207767881, Tref=1000.0, N=9, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R - Total Standard Deviation in ln(k): 3.36303735057"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing", + kinetics = ArrheniusBM(A=(1.90891e+06,'m^3/(mol*s)'), n=0.0381637, w0=(179,'kJ/mol'), E0=(45.7926,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.004883806222350359, var=0.5005705380914729, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing + Total Standard Deviation in ln(k): 1.4306411800124683"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R -Total Standard Deviation in ln(k): 3.36303735057""", + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing +Total Standard Deviation in ln(k): 1.4306411800124683""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R -Total Standard Deviation in ln(k): 3.36303735057 +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing +Total Standard Deviation in ln(k): 1.4306411800124683 """, ) entry( index = 178, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R", - kinetics = ArrheniusBM(A=(164141,'m^3/(mol*s)'), n=0.637502, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0311760265022, var=0.946024688451, Tref=1000.0, N=48, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R - Total Standard Deviation in ln(k): 2.02821325078"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(1.6229e+06,'m^3/(mol*s)'), n=-0.00476945, w0=(179,'kJ/mol'), E0=(41.7602,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R -Total Standard Deviation in ln(k): 2.02821325078""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R -Total Standard Deviation in ln(k): 2.02821325078 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 179, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_N-Sp-5R!H-1C", - kinetics = ArrheniusBM(A=(578146,'m^3/(mol*s)'), n=0.175759, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.614494871354, var=0.864366397977, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_N-Sp-5R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_N-Sp-5R!H-1C - Total Standard Deviation in ln(k): 3.40778537242"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(3.97515e+06,'m^3/(mol*s)'), n=-0.00323035, w0=(179,'kJ/mol'), E0=(42.8817,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_N-Sp-5R!H-1C -Total Standard Deviation in ln(k): 3.40778537242""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R_N-Sp-5R!H-1C -Total Standard Deviation in ln(k): 3.40778537242 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_2C-inRing_Ext-2C-R_Ext-4R!H-R_Ext-5R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-6R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 180, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_4R!H->O", - kinetics = ArrheniusBM(A=(1.505e+06,'m^3/(mol*s)'), n=1.79841e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_4R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_4R!H->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing", + kinetics = ArrheniusBM(A=(284464,'m^3/(mol*s)'), n=0.158989, w0=(179,'kJ/mol'), E0=(41.2069,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07307342555193728, var=1.039002618272806, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing',), comment="""BM rule fitted to 14 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing + Total Standard Deviation in ln(k): 2.227057663697973"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_4R!H->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing +Total Standard Deviation in ln(k): 2.227057663697973""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-2R-R_4R!H->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 14 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing +Total Standard Deviation in ln(k): 2.227057663697973 """, ) entry( index = 181, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H", - kinetics = ArrheniusBM(A=(5.67927e+10,'m^3/(mol*s)'), n=-1.26686, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.103891372706, var=0.0257351059192, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H - Total Standard Deviation in ln(k): 0.582636509508"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R", + kinetics = ArrheniusBM(A=(99063.5,'m^3/(mol*s)'), n=0.290298, w0=(179,'kJ/mol'), E0=(39.7644,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10559855350330952, var=1.0655351314124175, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R + Total Standard Deviation in ln(k): 2.334705994048373"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H -Total Standard Deviation in ln(k): 0.582636509508""", + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.334705994048373""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_N-Sp-3R!H=2R_N-Sp-4R!H=3R!H -Total Standard Deviation in ln(k): 0.582636509508 +""" +BM rule fitted to 12 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R +Total Standard Deviation in ln(k): 2.334705994048373 """, ) entry( index = 182, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_N-2OS->O", - kinetics = ArrheniusBM(A=(2.85887e+07,'m^3/(mol*s)'), n=0.338251, w0=(71000,'J/mol'), E0=(24020.4,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_N-2OS->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_N-2OS->O - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(413.576,'m^3/(mol*s)'), n=0.967607, w0=(179,'kJ/mol'), E0=(30.477,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2630652819878215, var=1.1878858578990525, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 2.84593234490966"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_N-2OS->O -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.84593234490966""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_N-2R->C_N-3R!H->N_N-2OS->O -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 2.84593234490966 """, ) entry( index = 183, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R_Ext-3CS-R", - kinetics = ArrheniusBM(A=(1.52804e+49,'m^3/(mol*s)'), n=-12.7885, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R_Ext-3CS-R',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R_Ext-3CS-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(8.14976e+13,'m^3/(mol*s)'), n=-2.27223, w0=(179,'kJ/mol'), E0=(68.3469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03642541003782715, var=3.51219038874387, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 3.8485628226786726"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R_Ext-3CS-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.8485628226786726""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_N-2CNO-inRing_Ext-2CNO-R_Sp-3R!H=2CCNNOO_N-3R!H->O_Ext-2CNO-R_Ext-3CS-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.8485628226786726 """, ) entry( index = 184, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO", - kinetics = ArrheniusBM(A=(3.68011e+07,'m^3/(mol*s)'), n=-0.486361, w0=(216000,'J/mol'), E0=(21600,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0713195572652, var=0.229115083648, Tref=1000.0, N=3, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO - Total Standard Deviation in ln(k): 1.13878070638"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-2C-R", + kinetics = ArrheniusBM(A=(3.8422e+07,'m^3/(mol*s)'), n=-0.361029, w0=(179,'kJ/mol'), E0=(37.3913,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO -Total Standard Deviation in ln(k): 1.13878070638""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_Sp-4R!H-3R!H_Ext-5R!H-R_Ext-6R!H-R_Int-6R!H-2CNO -Total Standard Deviation in ln(k): 1.13878070638 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_Sp-5R!H-4R!H_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 185, - label = "Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H", - kinetics = ArrheniusBM(A=(3.01298e+07,'m^3/(mol*s)'), n=0.213298, w0=(208833,'J/mol'), E0=(20883.3,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0012800000741, var=0.535898560478, Tref=1000.0, N=6, correlation='Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H',), comment="""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H - Total Standard Deviation in ln(k): 1.47078425342"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H", + kinetics = ArrheniusBM(A=(49.5695,'m^3/(mol*s)'), n=1.23161, w0=(179,'kJ/mol'), E0=(25.7763,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3233266493524891, var=1.2527084791405165, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H + Total Standard Deviation in ln(k): 3.056167429805253"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H -Total Standard Deviation in ln(k): 1.47078425342""", + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.056167429805253""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_1R->H_N-2R->S_N-2CHNO->H_2CNO-inRing_Ext-2CNO-R_Ext-3R!H-R_Ext-4R!H-R_N-Sp-4R!H-3R!H -Total Standard Deviation in ln(k): 1.47078425342 +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H +Total Standard Deviation in ln(k): 3.056167429805253 """, ) entry( index = 186, - label = "Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H", - kinetics = ArrheniusBM(A=(297.12,'m^3/(mol*s)'), n=0.971996, w0=(122000,'J/mol'), E0=(12200,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.0290918489436, var=0.0160072644778, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H - Total Standard Deviation in ln(k): 0.326733816017"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(124.902,'m^3/(mol*s)'), n=1.09941, w0=(179,'kJ/mol'), E0=(18.757,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.01560833182403432, var=0.016020860987762845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C + Total Standard Deviation in ln(k): 0.2929633293189987"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H -Total Standard Deviation in ln(k): 0.326733816017""", + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C +Total Standard Deviation in ln(k): 0.2929633293189987""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_1COS->O_Ext-1O-R_Ext-2R-R_Ext-4R!H-R_Sp-4R!H-2R_N-Sp-5R!H-4R!H -Total Standard Deviation in ln(k): 0.326733816017 +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C +Total Standard Deviation in ln(k): 0.2929633293189987 """, ) entry( index = 187, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-1C-R", - kinetics = ArrheniusBM(A=(1.24e+10,'m^3/(mol*s)'), n=-1.5, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-1C-R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_4R!H-inRing", + kinetics = ArrheniusBM(A=(252.533,'m^3/(mol*s)'), n=0.999283, w0=(179,'kJ/mol'), E0=(17.1319,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-2R-R_Ext-2R-R_Ext-1C-R_6R!H->C_Ext-1C-R_Ext-1C-R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 188, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R", - kinetics = ArrheniusBM(A=(7.23001e+07,'m^3/(mol*s)'), n=-9.93442e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=3.23272519859e-11, var=0.0, Tref=1000.0, N=2, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R - Total Standard Deviation in ln(k): 8.12242512209e-11"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_N-4R!H-inRing", + kinetics = ArrheniusBM(A=(1.53331,'m^3/(mol*s)'), n=1.7252, w0=(179,'kJ/mol'), E0=(20.382,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_N-4R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_N-4R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R -Total Standard Deviation in ln(k): 8.12242512209e-11""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_N-Sp-3R!H-2R_N-3R!H->O_N-Sp-3CCSS#2R -Total Standard Deviation in ln(k): 8.12242512209e-11 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_Sp-4R!H-2C_N-4R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 189, - label = "Root_N-1R->H_1CNOS->N_Ext-2R-R", - kinetics = ArrheniusBM(A=(406124,'m^3/(mol*s)'), n=0.906369, w0=(77250,'J/mol'), E0=(43534.9,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.153305029067, var=35.949358839, Tref=1000.0, N=8, correlation='Root_N-1R->H_1CNOS->N_Ext-2R-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R - Total Standard Deviation in ln(k): 12.4051358263"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(0.004135,'m^3/(mol*s)'), n=2.525, w0=(179,'kJ/mol'), E0=(37.3872,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-4R!H-2C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-4R!H-2C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R -Total Standard Deviation in ln(k): 12.4051358263""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_1CNOS->N_Ext-2R-R -Total Standard Deviation in ln(k): 12.4051358263 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Ext-4R!H-R_N-Sp-5R!H-4R!H_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 11.540182761524994 """, ) entry( index = 190, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R", - kinetics = ArrheniusBM(A=(1.42839e+09,'m^3/(mol*s)'), n=-0.858081, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=-0.283695694404, var=1.87999745198, Tref=1000.0, N=4, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R - Total Standard Deviation in ln(k): 3.46155564072"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(1.01905e+07,'m^3/(mol*s)'), n=-0.198371, w0=(179,'kJ/mol'), E0=(38.2273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.054859309462099146, var=1.178102591472186, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C + Total Standard Deviation in ln(k): 2.3137856239163224"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R -Total Standard Deviation in ln(k): 3.46155564072""", + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C +Total Standard Deviation in ln(k): 2.3137856239163224""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_N-1C-inRing_Ext-2R-R_Ext-3R!H-R_Sp-3R!H=2R_Ext-1C-R -Total Standard Deviation in ln(k): 3.46155564072 +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C +Total Standard Deviation in ln(k): 2.3137856239163224 """, ) entry( index = 191, - label = "Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R", - kinetics = ArrheniusBM(A=(9.99999e+06,'m^3/(mol*s)'), n=9.65418e-08, w0=(173000,'J/mol'), E0=(17300,'J/mol'), Tmin=(300,'K'), Tmax=(1500,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.1368631905, Tref=1000.0, N=1, correlation='Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R - Total Standard Deviation in ln(k): 11.5401827615"""), + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R", + kinetics = ArrheniusBM(A=(3.44254e+06,'m^3/(mol*s)'), n=0.00088922, w0=(179,'kJ/mol'), E0=(38.2273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.17523027882982423, var=1.332721973881736, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R + Total Standard Deviation in ln(k): 2.754614988497054"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R +Total Standard Deviation in ln(k): 2.754614988497054""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R +Total Standard Deviation in ln(k): 2.754614988497054 +""", +) + +entry( + index = 192, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C", + kinetics = ArrheniusBM(A=(5.17579e+06,'m^3/(mol*s)'), n=0.00053286, w0=(179,'kJ/mol'), E0=(38.2273,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2362166361863198e-10, var=0.783633349042906, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C + Total Standard Deviation in ln(k): 1.7746529872935115"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C +Total Standard Deviation in ln(k): 1.7746529872935115""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C +Total Standard Deviation in ln(k): 1.7746529872935115 +""", +) + +entry( + index = 193, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.05e+06,'m^3/(mol*s)'), n=6.30826e-09, w0=(179,'kJ/mol'), E0=(34.6022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_5R!H->C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 194, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.505e+06,'m^3/(mol*s)'), n=-1.3397e-08, w0=(179,'kJ/mol'), E0=(33.4345,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_Sp-4R!H-2C_Ext-2C-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 195, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C", + kinetics = ArrheniusBM(A=(3.24037e+06,'m^3/(mol*s)'), n=-7.05147e-08, w0=(179,'kJ/mol'), E0=(31.8977,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.13894437474460805, var=0.17180942216559375, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C + Total Standard Deviation in ln(k): 1.180067156868643"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 1.180067156868643""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C +Total Standard Deviation in ln(k): 1.180067156868643 +""", +) + +entry( + index = 196, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C", + kinetics = ArrheniusBM(A=(3e+06,'m^3/(mol*s)'), n=-6.55423e-09, w0=(179,'kJ/mol'), E0=(40.5994,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 197, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C", + kinetics = ArrheniusBM(A=(3.5e+06,'m^3/(mol*s)'), n=-4.57487e-10, w0=(179,'kJ/mol'), E0=(33.5686,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_2R->C_N-2C-inRing_Ext-2C-R_N-Sp-4R!H-2C_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 198, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_N-2R->C", + kinetics = ArrheniusBM(A=(2.49151e+08,'m^3/(mol*s)'), n=0.0472428, w0=(132.5,'kJ/mol'), E0=(27.384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_N-2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_N-2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), rank = 11, - shortDesc = u"""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R -Total Standard Deviation in ln(k): 11.5401827615""", + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", longDesc = -u""" -BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CNOS->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_N-Sp-3R!H-1C_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R -Total Standard Deviation in ln(k): 11.5401827615 +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_3R!H->O_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 199, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O", + kinetics = ArrheniusBM(A=(7.75903e+07,'m^3/(mol*s)'), n=-0.290943, w0=(125,'kJ/mol'), E0=(14.137,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-2.583252385011253, var=5.759706844490362, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O + Total Standard Deviation in ln(k): 11.301825628806402"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O +Total Standard Deviation in ln(k): 11.301825628806402""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O +Total Standard Deviation in ln(k): 11.301825628806402 +""", +) + +entry( + index = 200, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R", + kinetics = ArrheniusBM(A=(1.50084e+08,'m^3/(mol*s)'), n=-0.433098, w0=(143,'kJ/mol'), E0=(64.3351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.13208035018416822, var=0.20161860433449766, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R + Total Standard Deviation in ln(k): 1.232025525932261"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R +Total Standard Deviation in ln(k): 1.232025525932261""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R +Total Standard Deviation in ln(k): 1.232025525932261 +""", +) + +entry( + index = 201, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C", + kinetics = ArrheniusBM(A=(7.38316e+06,'m^3/(mol*s)'), n=1.31229e-07, w0=(179,'kJ/mol'), E0=(58.9141,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.016021952005170214, var=0.3543710496450803, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C + Total Standard Deviation in ln(k): 1.2336563624693968"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C +Total Standard Deviation in ln(k): 1.2336563624693968""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C +Total Standard Deviation in ln(k): 1.2336563624693968 +""", +) + +entry( + index = 202, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C_Ext-2C-R_Ext-2C-R", + kinetics = ArrheniusBM(A=(9.04e+06,'m^3/(mol*s)'), n=2.17087e-08, w0=(179,'kJ/mol'), E0=(72.7054,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C_Ext-2C-R_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C_Ext-2C-R_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_2R->C_Ext-2C-R_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 203, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_N-2R->C", + kinetics = ArrheniusBM(A=(1.81e+06,'m^3/(mol*s)'), n=0, w0=(71,'kJ/mol'), E0=(40.702,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_N-2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_N-2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_Ext-2R-R_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 204, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.55564e+07,'m^3/(mol*s)'), n=-5.63145e-08, w0=(125,'kJ/mol'), E0=(35.2414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.7121440562946592, var=2.9508506800589083, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C + Total Standard Deviation in ln(k): 5.233048665971416"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C +Total Standard Deviation in ln(k): 5.233048665971416""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C +Total Standard Deviation in ln(k): 5.233048665971416 +""", +) + +entry( + index = 205, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_2R->C", + kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=-8.5357e-08, w0=(179,'kJ/mol'), E0=(71.5824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_2R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 206, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_N-2R->C", + kinetics = ArrheniusBM(A=(2e+07,'m^3/(mol*s)'), n=0, w0=(71,'kJ/mol'), E0=(46.5188,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_N-2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_N-2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_3BrCClFINPSSi->C_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 207, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_N-3BrCClFINPSSi->C", + kinetics = ArrheniusBM(A=(1.12593e+08,'m^3/(mol*s)'), n=-0.33733, w0=(71,'kJ/mol'), E0=(19.907,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_N-3BrCClFINPSSi->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_N-3BrCClFINPSSi->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_N-3BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_Ext-1O-R_N-3R!H->O_N-3BrCClFINPSSi->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 208, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C", + kinetics = ArrheniusBM(A=(6.81403e+07,'m^3/(mol*s)'), n=-1.87063e-10, w0=(179,'kJ/mol'), E0=(97.5317,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-4.951279959203741e-16, var=0.1195344065457376, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C + Total Standard Deviation in ln(k): 0.6931120579847649"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C +Total Standard Deviation in ln(k): 0.6931120579847649""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C +Total Standard Deviation in ln(k): 0.6931120579847649 +""", +) + +entry( + index = 209, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C_Ext-2C-R", + kinetics = ArrheniusBM(A=(7.7e+07,'m^3/(mol*s)'), n=0, w0=(179,'kJ/mol'), E0=(98.5531,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C_Ext-2C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C_Ext-2C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_2R->C_Ext-2C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 210, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_N-2R->C", + kinetics = ArrheniusBM(A=(1.57e+07,'m^3/(mol*s)'), n=0, w0=(71,'kJ/mol'), E0=(52.1149,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_N-2R->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_N-2R->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_1BrCFOS->O_N-2R->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 211, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O", + kinetics = ArrheniusBM(A=(506530,'m^3/(mol*s)'), n=0.554816, w0=(169.496,'kJ/mol'), E0=(13.9414,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02648174565896206, var=3.6079392316977894, Tref=1000.0, N=117, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O',), comment="""BM rule fitted to 117 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O + Total Standard Deviation in ln(k): 3.874446358480738"""), + rank = 11, + shortDesc = """BM rule fitted to 117 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O +Total Standard Deviation in ln(k): 3.874446358480738""", + longDesc = +""" +BM rule fitted to 117 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O +Total Standard Deviation in ln(k): 3.874446358480738 +""", +) + +entry( + index = 212, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing", + kinetics = ArrheniusBM(A=(1.26173e+09,'m^3/(mol*s)'), n=-0.614843, w0=(173,'kJ/mol'), E0=(21.5217,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.011388155870254303, var=0.2640727834609356, Tref=1000.0, N=10, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing',), comment="""BM rule fitted to 10 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing + Total Standard Deviation in ln(k): 1.0588069702762606"""), + rank = 11, + shortDesc = """BM rule fitted to 10 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing +Total Standard Deviation in ln(k): 1.0588069702762606""", + longDesc = +""" +BM rule fitted to 10 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing +Total Standard Deviation in ln(k): 1.0588069702762606 +""", +) + +entry( + index = 213, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS", + kinetics = ArrheniusBM(A=(1.64652e+10,'m^3/(mol*s)'), n=-0.959714, w0=(173,'kJ/mol'), E0=(34.6868,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09357740147613781, var=0.36787669337185147, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS + Total Standard Deviation in ln(k): 1.4510478471372923"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS +Total Standard Deviation in ln(k): 1.4510478471372923""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS +Total Standard Deviation in ln(k): 1.4510478471372923 +""", +) + +entry( + index = 214, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_2R-inRing", + kinetics = ArrheniusBM(A=(5e+07,'m^3/(mol*s)'), n=2.59562e-08, w0=(173,'kJ/mol'), E0=(46.0647,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_2R-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_2R-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_2R-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_2R-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 215, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing", + kinetics = ArrheniusBM(A=(1.71905e+10,'m^3/(mol*s)'), n=-0.966851, w0=(173,'kJ/mol'), E0=(73.0943,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.07464897564796032, var=0.299509236916578, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing + Total Standard Deviation in ln(k): 1.2847003683901814"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing +Total Standard Deviation in ln(k): 1.2847003683901814""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing +Total Standard Deviation in ln(k): 1.2847003683901814 +""", +) + +entry( + index = 216, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing_Ext-2R-R", + kinetics = ArrheniusBM(A=(1.17885e+10,'m^3/(mol*s)'), n=-0.943326, w0=(173,'kJ/mol'), E0=(71.8334,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing_Ext-2R-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing_Ext-2R-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing_Ext-2R-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_Sp-3R!H-1BrCFS_N-2R-inRing_Ext-2R-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 217, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS", + kinetics = ArrheniusBM(A=(4.28281e+08,'m^3/(mol*s)'), n=-0.469786, w0=(173,'kJ/mol'), E0=(110.538,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11347341788092068, var=0.43400451681228536, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS + Total Standard Deviation in ln(k): 1.605808896298352"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS +Total Standard Deviation in ln(k): 1.605808896298352""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS +Total Standard Deviation in ln(k): 1.605808896298352 +""", +) + +entry( + index = 218, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R", + kinetics = ArrheniusBM(A=(5.20355e+08,'m^3/(mol*s)'), n=-0.509162, w0=(173,'kJ/mol'), E0=(111.454,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.35721850280207135, var=0.8400903028694655, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R + Total Standard Deviation in ln(k): 2.735002733860902"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R +Total Standard Deviation in ln(k): 2.735002733860902""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R +Total Standard Deviation in ln(k): 2.735002733860902 +""", +) + +entry( + index = 219, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_2R-inRing", + kinetics = ArrheniusBM(A=(1.6752e+09,'m^3/(mol*s)'), n=-0.659797, w0=(173,'kJ/mol'), E0=(124.605,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.0101763682895386, var=2.902598485050662, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_2R-inRing + Total Standard Deviation in ln(k): 5.9536015511279485"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_2R-inRing +Total Standard Deviation in ln(k): 5.9536015511279485""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_2R-inRing +Total Standard Deviation in ln(k): 5.9536015511279485 +""", +) + +entry( + index = 220, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(98.302,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.440892098500625e-16, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing + Total Standard Deviation in ln(k): 1.115802034799152e-15"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing +Total Standard Deviation in ln(k): 1.115802034799152e-15""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing +Total Standard Deviation in ln(k): 1.115802034799152e-15 +""", +) + +entry( + index = 221, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(95.9587,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_Sp-4R!H-2R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 222, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R", + kinetics = ArrheniusBM(A=(1e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(100.645,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_1BrCFS-inRing_Ext-1BrCFS-R_N-Sp-3R!H-1BrCFS_Ext-2R-R_N-2R-inRing_N-Sp-4R!H-2R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 223, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing", + kinetics = ArrheniusBM(A=(268174,'m^3/(mol*s)'), n=0.649932, w0=(169.168,'kJ/mol'), E0=(8.25568,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.022274522756211453, var=4.036084053586106, Tref=1000.0, N=107, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing',), comment="""BM rule fitted to 107 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing + Total Standard Deviation in ln(k): 4.08348043161476"""), + rank = 11, + shortDesc = """BM rule fitted to 107 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing +Total Standard Deviation in ln(k): 4.08348043161476""", + longDesc = +""" +BM rule fitted to 107 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing +Total Standard Deviation in ln(k): 4.08348043161476 +""", +) + +entry( + index = 224, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C", + kinetics = ArrheniusBM(A=(165155,'m^3/(mol*s)'), n=0.640329, w0=(170.238,'kJ/mol'), E0=(30.5502,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04475704216221732, var=1.347424601814671, Tref=1000.0, N=105, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C',), comment="""BM rule fitted to 105 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C + Total Standard Deviation in ln(k): 2.439523692044205"""), + rank = 11, + shortDesc = """BM rule fitted to 105 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C +Total Standard Deviation in ln(k): 2.439523692044205""", + longDesc = +""" +BM rule fitted to 105 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C +Total Standard Deviation in ln(k): 2.439523692044205 +""", +) + +entry( + index = 225, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S", + kinetics = ArrheniusBM(A=(28641.6,'m^3/(mol*s)'), n=0.894523, w0=(136,'kJ/mol'), E0=(48.5387,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.05017112034754546, var=1.0341867674379976, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S + Total Standard Deviation in ln(k): 2.1647729008918577"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S +Total Standard Deviation in ln(k): 2.1647729008918577""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S +Total Standard Deviation in ln(k): 2.1647729008918577 +""", +) + +entry( + index = 226, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C", + kinetics = ArrheniusBM(A=(15609.6,'m^3/(mol*s)'), n=0.89762, w0=(136,'kJ/mol'), E0=(70.8376,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06086937253965734, var=0.0, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C + Total Standard Deviation in ln(k): 0.15293812195893802"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C +Total Standard Deviation in ln(k): 0.15293812195893802""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C +Total Standard Deviation in ln(k): 0.15293812195893802 +""", +) + +entry( + index = 227, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(15609.6,'m^3/(mol*s)'), n=0.89762, w0=(136,'kJ/mol'), E0=(70.3142,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.06086936834917852, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 0.15293811143009678"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.15293811143009678""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 0.15293811143009678 +""", +) + +entry( + index = 228, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(15609.6,'m^3/(mol*s)'), n=0.89762, w0=(136,'kJ/mol'), E0=(69.559,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_3R!H->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 229, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C", + kinetics = ArrheniusBM(A=(71187.7,'m^3/(mol*s)'), n=0.889878, w0=(136,'kJ/mol'), E0=(61.8411,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03412373816711143, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C + Total Standard Deviation in ln(k): 0.08573803559575735"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C +Total Standard Deviation in ln(k): 0.08573803559575735""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C +Total Standard Deviation in ln(k): 0.08573803559575735 +""", +) + +entry( + index = 230, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(71187.7,'m^3/(mol*s)'), n=0.889878, w0=(136,'kJ/mol'), E0=(62.5403,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_2R->S_Ext-2S-R_N-3R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 231, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S", + kinetics = ArrheniusBM(A=(1.41662e+09,'m^3/(mol*s)'), n=-0.656414, w0=(171.95,'kJ/mol'), E0=(95.2985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03737901574361908, var=3.3762881385160988, Tref=1000.0, N=100, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S',), comment="""BM rule fitted to 100 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S + Total Standard Deviation in ln(k): 3.777553398592124"""), + rank = 11, + shortDesc = """BM rule fitted to 100 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S +Total Standard Deviation in ln(k): 3.777553398592124""", + longDesc = +""" +BM rule fitted to 100 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S +Total Standard Deviation in ln(k): 3.777553398592124 +""", +) + +entry( + index = 232, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br", + kinetics = ArrheniusBM(A=(72680.1,'m^3/(mol*s)'), n=0.611725, w0=(142.5,'kJ/mol'), E0=(65.2635,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.017037293925430675, var=10.418254157447697, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br',), comment="""BM rule fitted to 8 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br + Total Standard Deviation in ln(k): 6.513554923181364"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br +Total Standard Deviation in ln(k): 6.513554923181364""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br +Total Standard Deviation in ln(k): 6.513554923181364 +""", +) + +entry( + index = 233, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(197869,'m^3/(mol*s)'), n=0.545011, w0=(142.5,'kJ/mol'), E0=(61.7168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03667693851495551, var=9.189186040759944, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R',), comment="""BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R + Total Standard Deviation in ln(k): 6.169240919486213"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R +Total Standard Deviation in ln(k): 6.169240919486213""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R +Total Standard Deviation in ln(k): 6.169240919486213 +""", +) + +entry( + index = 234, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Ext-3R!H-R", + kinetics = ArrheniusBM(A=(4.87561e-13,'m^3/(mol*s)'), n=5.64166, w0=(142.5,'kJ/mol'), E0=(87.5689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Ext-3R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Ext-3R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Ext-3R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Ext-3R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 235, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C", + kinetics = ArrheniusBM(A=(3.08187e+08,'m^3/(mol*s)'), n=-0.456645, w0=(142.5,'kJ/mol'), E0=(61.9838,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.14803576582112554, var=2.853572976908944, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C + Total Standard Deviation in ln(k): 3.7584522894033894"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C +Total Standard Deviation in ln(k): 3.7584522894033894""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C +Total Standard Deviation in ln(k): 3.7584522894033894 +""", +) + +entry( + index = 236, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.66906e+08,'m^3/(mol*s)'), n=-0.60886, w0=(142.5,'kJ/mol'), E0=(57.9815,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1417378548032923, var=4.459560672209686, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R + Total Standard Deviation in ln(k): 4.589659027943717"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 4.589659027943717""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R +Total Standard Deviation in ln(k): 4.589659027943717 +""", +) + +entry( + index = 237, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(3.59501e+09,'m^3/(mol*s)'), n=-0.91329, w0=(142.5,'kJ/mol'), E0=(50.8537,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2126067872307201, var=6.81087616907107, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 5.766076427621965"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.766076427621965""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 5.766076427621965 +""", +) + +entry( + index = 238, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_3R!H->Cl", + kinetics = ArrheniusBM(A=(4.77213e+06,'m^3/(mol*s)'), n=0.171878, w0=(142.5,'kJ/mol'), E0=(57.719,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_3R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_3R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_3R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_3R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 239, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_N-3R!H->Cl", + kinetics = ArrheniusBM(A=(2.70825e+12,'m^3/(mol*s)'), n=-1.99846, w0=(142.5,'kJ/mol'), E0=(43.9883,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_N-3R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_N-3R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_N-3R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_Sp-3R!H-1C_Ext-1C-R_Ext-1C-R_N-3R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 240, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_N-Sp-3R!H-1C", + kinetics = ArrheniusBM(A=(5.19615e+07,'m^3/(mol*s)'), n=0, w0=(142.5,'kJ/mol'), E0=(84.0884,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=5.166553000908251e-16, var=2.4138979216251584, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_N-Sp-3R!H-1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_N-Sp-3R!H-1C + Total Standard Deviation in ln(k): 3.1147015559000386"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_N-Sp-3R!H-1C +Total Standard Deviation in ln(k): 3.1147015559000386""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_2BrCF->Br_Ext-1C-R_N-Sp-3R!H-1C +Total Standard Deviation in ln(k): 3.1147015559000386 +""", +) + +entry( + index = 241, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br", + kinetics = ArrheniusBM(A=(1.61393e+09,'m^3/(mol*s)'), n=-0.673018, w0=(174.511,'kJ/mol'), E0=(94.86,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03443850225349541, var=3.3530031119056956, Tref=1000.0, N=92, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br',), comment="""BM rule fitted to 92 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br + Total Standard Deviation in ln(k): 3.7574408497887566"""), + rank = 11, + shortDesc = """BM rule fitted to 92 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br +Total Standard Deviation in ln(k): 3.7574408497887566""", + longDesc = +""" +BM rule fitted to 92 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br +Total Standard Deviation in ln(k): 3.7574408497887566 +""", +) + +entry( + index = 242, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.58438e+09,'m^3/(mol*s)'), n=-0.680032, w0=(174.544,'kJ/mol'), E0=(92.3052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.044985497533730524, var=3.83376159366093, Tref=1000.0, N=90, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R',), comment="""BM rule fitted to 90 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R + Total Standard Deviation in ln(k): 4.038298937925498"""), + rank = 11, + shortDesc = """BM rule fitted to 90 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R +Total Standard Deviation in ln(k): 4.038298937925498""", + longDesc = +""" +BM rule fitted to 90 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R +Total Standard Deviation in ln(k): 4.038298937925498 +""", +) + +entry( + index = 243, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F", + kinetics = ArrheniusBM(A=(7.45098e+06,'m^3/(mol*s)'), n=-0.832298, w0=(176.31,'kJ/mol'), E0=(-21.1919,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.2384146369919076, var=14.914477840909992, Tref=1000.0, N=21, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F',), comment="""BM rule fitted to 21 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F + Total Standard Deviation in ln(k): 10.853734488350794"""), + rank = 11, + shortDesc = """BM rule fitted to 21 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F +Total Standard Deviation in ln(k): 10.853734488350794""", + longDesc = +""" +BM rule fitted to 21 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F +Total Standard Deviation in ln(k): 10.853734488350794 +""", +) + +entry( + index = 244, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R", + kinetics = ArrheniusBM(A=(2.03454e+08,'m^3/(mol*s)'), n=-0.589199, w0=(173,'kJ/mol'), E0=(3.9581,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.19963538331842393, var=7.210172744911929, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R',), comment="""BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R + Total Standard Deviation in ln(k): 5.884663924983251"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R +Total Standard Deviation in ln(k): 5.884663924983251""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R +Total Standard Deviation in ln(k): 5.884663924983251 +""", +) + +entry( + index = 245, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(2.63131e-11,'m^3/(mol*s)'), n=4.71246, w0=(173,'kJ/mol'), E0=(139.101,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_Ext-4R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_Ext-4R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_Ext-4R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 246, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_4R!H->O", + kinetics = ArrheniusBM(A=(4e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(88.2769,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_4R!H->O',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_4R!H->O + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_4R!H->O +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 247, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O", + kinetics = ArrheniusBM(A=(5.10609e+09,'m^3/(mol*s)'), n=-1.00997, w0=(173,'kJ/mol'), E0=(0.182894,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.2030752232360106, var=3.690099749926623, Tref=1000.0, N=14, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O',), comment="""BM rule fitted to 14 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O + Total Standard Deviation in ln(k): 4.361261633796893"""), + rank = 11, + shortDesc = """BM rule fitted to 14 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O +Total Standard Deviation in ln(k): 4.361261633796893""", + longDesc = +""" +BM rule fitted to 14 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O +Total Standard Deviation in ln(k): 4.361261633796893 +""", +) + +entry( + index = 248, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F", + kinetics = ArrheniusBM(A=(5.31635e+11,'m^3/(mol*s)'), n=-1.64268, w0=(173,'kJ/mol'), E0=(1.83333,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.26642151855962876, var=3.25028187885375, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F',), comment="""BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F + Total Standard Deviation in ln(k): 4.283645083075501"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F +Total Standard Deviation in ln(k): 4.283645083075501""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F +Total Standard Deviation in ln(k): 4.283645083075501 +""", +) + +entry( + index = 249, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.80704e+11,'m^3/(mol*s)'), n=-1.71043, w0=(173,'kJ/mol'), E0=(103.211,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09418869825718985, var=0.952038110964405, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R',), comment="""BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R + Total Standard Deviation in ln(k): 2.1927239576746422"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 2.1927239576746422""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R +Total Standard Deviation in ln(k): 2.1927239576746422 +""", +) + +entry( + index = 250, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl", + kinetics = ArrheniusBM(A=(4.80829e+08,'m^3/(mol*s)'), n=-0.721577, w0=(173,'kJ/mol'), E0=(97.2206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.06302132047686594, var=2.3121660947075444, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl + Total Standard Deviation in ln(k): 3.2067067767456465"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl +Total Standard Deviation in ln(k): 3.2067067767456465""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl +Total Standard Deviation in ln(k): 3.2067067767456465 +""", +) + +entry( + index = 251, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(1.9799e+06,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(89.8135,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=2.5832765004541253e-16, var=0.9609060278364027, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R + Total Standard Deviation in ln(k): 1.9651578851126486"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 1.9651578851126486""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 1.9651578851126486 +""", +) + +entry( + index = 252, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_6R!H->Cl", + kinetics = ArrheniusBM(A=(2.8e+06,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(90.1406,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 253, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_N-6R!H->Cl", + kinetics = ArrheniusBM(A=(1.4e+06,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(89.4864,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_N-6R!H->Cl',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_N-6R!H->Cl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_5R!H->Cl_Ext-2CF-R_Ext-2CF-R_N-6R!H->Cl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 254, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl", + kinetics = ArrheniusBM(A=(2.56119e+13,'m^3/(mol*s)'), n=-2.20486, w0=(173,'kJ/mol'), E0=(106.206,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.10977238202470588, var=0.8543561534149596, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl + Total Standard Deviation in ln(k): 2.128814467892811"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.128814467892811""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl +Total Standard Deviation in ln(k): 2.128814467892811 +""", +) + +entry( + index = 255, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R", + kinetics = ArrheniusBM(A=(3.16153e+11,'m^3/(mol*s)'), n=-1.54858, w0=(173,'kJ/mol'), E0=(106.863,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1332670390480019, var=0.8642583207865906, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R + Total Standard Deviation in ln(k): 2.19855368910603"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R +Total Standard Deviation in ln(k): 2.19855368910603""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R +Total Standard Deviation in ln(k): 2.19855368910603 +""", +) + +entry( + index = 256, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(8.91091e+09,'m^3/(mol*s)'), n=-1.08237, w0=(173,'kJ/mol'), E0=(100.156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.09453198057832876, var=3.2356139136116546, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 3.8435973675984645"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 3.8435973675984645""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 3.8435973675984645 +""", +) + +entry( + index = 257, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br_Ext-2CF-R", + kinetics = ArrheniusBM(A=(2.8e+06,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(88.8321,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_5BrCFINOPSSi->Br_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 258, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br", + kinetics = ArrheniusBM(A=(1.12169e+13,'m^3/(mol*s)'), n=-2.01479, w0=(173,'kJ/mol'), E0=(113.571,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1720020915738618, var=0.07952613920554234, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br + Total Standard Deviation in ln(k): 0.9975089547998341"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 0.9975089547998341""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br +Total Standard Deviation in ln(k): 0.9975089547998341 +""", +) + +entry( + index = 259, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.83587e+13,'m^3/(mol*s)'), n=-2.16473, w0=(173,'kJ/mol'), E0=(116.106,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-2CF-R_N-5BrCFINOPSSi->Br_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 260, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.80345e+13,'m^3/(mol*s)'), n=-2.05221, w0=(173,'kJ/mol'), E0=(83.473,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_4BrCClF->F_Ext-1C-R_N-5R!H->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 261, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F", + kinetics = ArrheniusBM(A=(204.407,'m^3/(mol*s)'), n=1.30994, w0=(173,'kJ/mol'), E0=(97.708,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.006495679117668562, var=10.327386067777251, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F + Total Standard Deviation in ln(k): 6.458787698127734"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F +Total Standard Deviation in ln(k): 6.458787698127734""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F +Total Standard Deviation in ln(k): 6.458787698127734 +""", +) + +entry( + index = 262, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R", + kinetics = ArrheniusBM(A=(925.476,'m^3/(mol*s)'), n=1.08429, w0=(173,'kJ/mol'), E0=(89.9152,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.009601989312046661, var=36.603399325259446, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R + Total Standard Deviation in ln(k): 12.15292181934084"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R +Total Standard Deviation in ln(k): 12.15292181934084""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R +Total Standard Deviation in ln(k): 12.15292181934084 +""", +) + +entry( + index = 263, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(1.4e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(89.1053,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_Ext-2CF-R_N-4R!H->O_N-4BrCClF->F_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 264, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C", + kinetics = ArrheniusBM(A=(1.22533e+19,'m^3/(mol*s)'), n=-4.65414, w0=(173,'kJ/mol'), E0=(107.156,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.0291123599725194, var=3.1432128143077245, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C + Total Standard Deviation in ln(k): 6.139925978955974"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C +Total Standard Deviation in ln(k): 6.139925978955974""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C +Total Standard Deviation in ln(k): 6.139925978955974 +""", +) + +entry( + index = 265, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.35279e+19,'m^3/(mol*s)'), n=-4.67047, w0=(173,'kJ/mol'), E0=(104.469,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.1952341712979282, var=4.188869180028304, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R + Total Standard Deviation in ln(k): 7.106137505695212"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.106137505695212""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R +Total Standard Deviation in ln(k): 7.106137505695212 +""", +) + +entry( + index = 266, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(5.29446e+18,'m^3/(mol*s)'), n=-4.19701, w0=(173,'kJ/mol'), E0=(127.795,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_2CF->C_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 267, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_N-2CF->C", + kinetics = ArrheniusBM(A=(1e+06,'m^3/(mol*s)'), n=0, w0=(242.5,'kJ/mol'), E0=(126.651,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_N-2CF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_N-2CF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_N-2CF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_3R!H->F_N-2CF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 268, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F", + kinetics = ArrheniusBM(A=(9.4996e+08,'m^3/(mol*s)'), n=-0.553872, w0=(174.007,'kJ/mol'), E0=(107.36,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04533143464417339, var=2.379338637808372, Tref=1000.0, N=69, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F',), comment="""BM rule fitted to 69 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F + Total Standard Deviation in ln(k): 3.2062229804737767"""), + rank = 11, + shortDesc = """BM rule fitted to 69 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F +Total Standard Deviation in ln(k): 3.2062229804737767""", + longDesc = +""" +BM rule fitted to 69 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F +Total Standard Deviation in ln(k): 3.2062229804737767 +""", +) + +entry( + index = 269, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl", + kinetics = ArrheniusBM(A=(2.94724e+14,'m^3/(mol*s)'), n=-2.79674, w0=(173,'kJ/mol'), E0=(15.7501,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4059670944461193, var=4.3929068346112015, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl',), comment="""BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl + Total Standard Deviation in ln(k): 5.221794693069276"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl +Total Standard Deviation in ln(k): 5.221794693069276""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl +Total Standard Deviation in ln(k): 5.221794693069276 +""", +) + +entry( + index = 270, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R", + kinetics = ArrheniusBM(A=(6.91206e+12,'m^3/(mol*s)'), n=-2.31041, w0=(173,'kJ/mol'), E0=(0.652496,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.34802699206835497, var=6.911221000028625, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R + Total Standard Deviation in ln(k): 6.144728059819724"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R +Total Standard Deviation in ln(k): 6.144728059819724""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R +Total Standard Deviation in ln(k): 6.144728059819724 +""", +) + +entry( + index = 271, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.84829e+11,'m^3/(mol*s)'), n=-2.01038, w0=(173,'kJ/mol'), E0=(1.67777,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29635477484669037, var=8.489684130166493, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R + Total Standard Deviation in ln(k): 6.585819118143684"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.585819118143684""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R +Total Standard Deviation in ln(k): 6.585819118143684 +""", +) + +entry( + index = 272, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.95004e+08,'m^3/(mol*s)'), n=-0.654592, w0=(173,'kJ/mol'), E0=(32.6618,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3571663206925548, var=1.4158740863498107, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 3.2828472574542653"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.2828472574542653""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 3.2828472574542653 +""", +) + +entry( + index = 273, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(92.2154,'m^3/(mol*s)'), n=1.49683, w0=(173,'kJ/mol'), E0=(67.4291,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.056910805468668384, var=2.6324205120309845, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R + Total Standard Deviation in ln(k): 3.3956216679477214"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R +Total Standard Deviation in ln(k): 3.3956216679477214""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R +Total Standard Deviation in ln(k): 3.3956216679477214 +""", +) + +entry( + index = 274, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(25018.3,'m^3/(mol*s)'), n=0.762967, w0=(173,'kJ/mol'), E0=(57.3292,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-1C-R_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 275, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(7.75415e+17,'m^3/(mol*s)'), n=-4.1508, w0=(173,'kJ/mol'), E0=(17.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-2CF-R_Ext-1C-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 276, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(2.13778e+18,'m^3/(mol*s)'), n=-3.98591, w0=(173,'kJ/mol'), E0=(140.214,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5386017501249244, var=1.268075927437603, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 3.610780394907533"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 3.610780394907533""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 3.610780394907533 +""", +) + +entry( + index = 277, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.0936e+21,'m^3/(mol*s)'), n=-4.94671, w0=(173,'kJ/mol'), E0=(139.63,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_3BrCClINOPSSi->Cl_Ext-1C-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 278, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl", + kinetics = ArrheniusBM(A=(8.13595e+08,'m^3/(mol*s)'), n=-0.525518, w0=(174.158,'kJ/mol'), E0=(108.009,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.056450919358685785, var=2.309837575337569, Tref=1000.0, N=60, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl',), comment="""BM rule fitted to 60 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl + Total Standard Deviation in ln(k): 3.188662883612303"""), + rank = 11, + shortDesc = """BM rule fitted to 60 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl +Total Standard Deviation in ln(k): 3.188662883612303""", + longDesc = +""" +BM rule fitted to 60 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl +Total Standard Deviation in ln(k): 3.188662883612303 +""", +) + +entry( + index = 279, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.78164e+10,'m^3/(mol*s)'), n=-0.796684, w0=(175.673,'kJ/mol'), E0=(148.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.33575524242363664, var=5.342524857041936, Tref=1000.0, N=26, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R',), comment="""BM rule fitted to 26 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R + Total Standard Deviation in ln(k): 5.4773312351280685"""), + rank = 11, + shortDesc = """BM rule fitted to 26 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 5.4773312351280685""", + longDesc = +""" +BM rule fitted to 26 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R +Total Standard Deviation in ln(k): 5.4773312351280685 +""", +) + +entry( + index = 280, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R", + kinetics = ArrheniusBM(A=(1.35887e+12,'m^3/(mol*s)'), n=-1.00236, w0=(190.375,'kJ/mol'), E0=(122.548,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.14719265409132679, var=2.390745340641604, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R + Total Standard Deviation in ln(k): 3.4695592324797513"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R +Total Standard Deviation in ln(k): 3.4695592324797513""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R +Total Standard Deviation in ln(k): 3.4695592324797513 +""", +) + +entry( + index = 281, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.52887e+10,'m^3/(mol*s)'), n=-0.421056, w0=(173,'kJ/mol'), E0=(86.0342,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.030895812897821735, var=3.1393582276389975, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.629664229344913"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.629664229344913""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.629664229344913 +""", +) + +entry( + index = 282, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(9.13992e+08,'m^3/(mol*s)'), n=-0.108893, w0=(173,'kJ/mol'), E0=(90.7227,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 283, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_2CF->C", + kinetics = ArrheniusBM(A=(2.81979e+07,'m^3/(mol*s)'), n=-0.126529, w0=(173,'kJ/mol'), E0=(52.4656,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_2CF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_2CF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_2CF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_2CF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 284, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_N-2CF->C", + kinetics = ArrheniusBM(A=(5e+07,'m^3/(mol*s)'), n=0, w0=(242.5,'kJ/mol'), E0=(126.976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_N-2CF->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_N-2CF->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_N-2CF->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_Ext-3BrCO-R_N-2CF->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 285, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O", + kinetics = ArrheniusBM(A=(7.27036e+07,'m^3/(mol*s)'), n=-0.266667, w0=(173,'kJ/mol'), E0=(40.1462,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.03623134627034809, var=1.003233389522121, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O + Total Standard Deviation in ln(k): 2.0990070397706857"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O +Total Standard Deviation in ln(k): 2.0990070397706857""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O +Total Standard Deviation in ln(k): 2.0990070397706857 +""", +) + +entry( + index = 286, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R", + kinetics = ArrheniusBM(A=(8.11368e+07,'m^3/(mol*s)'), n=-0.32, w0=(173,'kJ/mol'), E0=(9.82378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-1.5226095922391282e-07, var=0.5020281929604099, Tref=1000.0, N=5, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R',), comment="""BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R + Total Standard Deviation in ln(k): 1.4204343293524204"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R +Total Standard Deviation in ln(k): 1.4204343293524204""", + longDesc = +""" +BM rule fitted to 5 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R +Total Standard Deviation in ln(k): 1.4204343293524204 +""", +) + +entry( + index = 287, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O", + kinetics = ArrheniusBM(A=(1.4799e+07,'m^3/(mol*s)'), n=3.11304e-08, w0=(173,'kJ/mol'), E0=(37.7974,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=9.193463220142285e-09, var=0.3243450103025167, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O + Total Standard Deviation in ln(k): 1.1417226287440765"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O +Total Standard Deviation in ln(k): 1.1417226287440765""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O +Total Standard Deviation in ln(k): 1.1417226287440765 +""", +) + +entry( + index = 288, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O_Ext-2CF-R", + kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=-7.90496e-08, w0=(173,'kJ/mol'), E0=(64.2298,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_5R!H->O_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 289, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O", + kinetics = ArrheniusBM(A=(2.52275e+08,'m^3/(mol*s)'), n=-0.533333, w0=(173,'kJ/mol'), E0=(17.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09789675142796564, var=0.2171391628300253, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O + Total Standard Deviation in ln(k): 1.1801420658116069"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O +Total Standard Deviation in ln(k): 1.1801420658116069""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O +Total Standard Deviation in ln(k): 1.1801420658116069 +""", +) + +entry( + index = 290, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R", + kinetics = ArrheniusBM(A=(2.88995e+09,'m^3/(mol*s)'), n=-0.866642, w0=(173,'kJ/mol'), E0=(150.11,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=4.73600691749923e-16, var=0.18719384195212546, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R + Total Standard Deviation in ln(k): 0.8673667472246981"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R +Total Standard Deviation in ln(k): 0.8673667472246981""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R +Total Standard Deviation in ln(k): 0.8673667472246981 +""", +) + +entry( + index = 291, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(7.75e+08,'m^3/(mol*s)'), n=-0.75, w0=(173,'kJ/mol'), E0=(68.4604,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_3BrCO->O_Ext-2CF-R_N-5R!H->O_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 292, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O", + kinetics = ArrheniusBM(A=(3.40267e+10,'m^3/(mol*s)'), n=-0.792692, w0=(173,'kJ/mol'), E0=(17.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.48117816467576935, var=10.00110388920631, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O',), comment="""BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O + Total Standard Deviation in ln(k): 7.548869210529466"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O +Total Standard Deviation in ln(k): 7.548869210529466""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O +Total Standard Deviation in ln(k): 7.548869210529466 +""", +) + +entry( + index = 293, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R", + kinetics = ArrheniusBM(A=(5.44763e+10,'m^3/(mol*s)'), n=-0.821521, w0=(173,'kJ/mol'), E0=(17.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.49637622761910133, var=9.904855231996942, Tref=1000.0, N=12, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R',), comment="""BM rule fitted to 12 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R + Total Standard Deviation in ln(k): 7.556474671291582"""), + rank = 11, + shortDesc = """BM rule fitted to 12 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R +Total Standard Deviation in ln(k): 7.556474671291582""", + longDesc = +""" +BM rule fitted to 12 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R +Total Standard Deviation in ln(k): 7.556474671291582 +""", +) + +entry( + index = 294, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.65983e+11,'m^3/(mol*s)'), n=-0.84129, w0=(173,'kJ/mol'), E0=(17.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.1366575604485066, var=2.914302663837648, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 3.7657098673484954"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.7657098673484954""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 3.7657098673484954 +""", +) + +entry( + index = 295, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.39195e+11,'m^3/(mol*s)'), n=-0.855542, w0=(173,'kJ/mol'), E0=(80.2691,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.08362621578487493, var=0.7494705113280606, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 1.9456546683702245"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9456546683702245""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 1.9456546683702245 +""", +) + +entry( + index = 296, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(6.1576e+11,'m^3/(mol*s)'), n=-0.948728, w0=(173,'kJ/mol'), E0=(81.2369,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 297, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(1.20378e+09,'m^3/(mol*s)'), n=-0.813265, w0=(173,'kJ/mol'), E0=(76.4155,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-1C-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-1C-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-5R!H-R_Ext-1C-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 298, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(2.55114e+09,'m^3/(mol*s)'), n=-1.1, w0=(173,'kJ/mol'), E0=(17.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.07902162017928036, var=1.9839185473777685, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R + Total Standard Deviation in ln(k): 3.0222490884962006"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 3.0222490884962006""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R +Total Standard Deviation in ln(k): 3.0222490884962006 +""", +) + +entry( + index = 299, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R", + kinetics = ArrheniusBM(A=(7.14759e+09,'m^3/(mol*s)'), n=-1.3, w0=(173,'kJ/mol'), E0=(17.3,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.11500109114045273, var=4.7818258189085325, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R + Total Standard Deviation in ln(k): 4.672779094026469"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.672779094026469""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R +Total Standard Deviation in ln(k): 4.672779094026469 +""", +) + +entry( + index = 300, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R_Ext-2CF-R", + kinetics = ArrheniusBM(A=(1.24e+10,'m^3/(mol*s)'), n=-1.5, w0=(173,'kJ/mol'), E0=(69.3328,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_Ext-2CF-R_Ext-1C-R_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 301, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C", + kinetics = ArrheniusBM(A=(3.41902e+08,'m^3/(mol*s)'), n=-0.65, w0=(173,'kJ/mol'), E0=(90.3754,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.007291370132393764, var=0.8826412212865885, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C + Total Standard Deviation in ln(k): 1.9017483285227228"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C +Total Standard Deviation in ln(k): 1.9017483285227228""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C +Total Standard Deviation in ln(k): 1.9017483285227228 +""", +) + +entry( + index = 302, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C_Ext-1C-R", + kinetics = ArrheniusBM(A=(4.98065e+08,'m^3/(mol*s)'), n=-0.75, w0=(173,'kJ/mol'), E0=(89.8378,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.014034090117568947, var=0.8575717470917587, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C_Ext-1C-R + Total Standard Deviation in ln(k): 1.8917498551199692"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.8917498551199692""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_5R!H->C_Ext-1C-R +Total Standard Deviation in ln(k): 1.8917498551199692 +""", +) + +entry( + index = 303, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_N-5R!H->C", + kinetics = ArrheniusBM(A=(1.21e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(86.6078,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_N-5R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_N-5R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-2CF-R_N-5R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 304, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-1C-R", + kinetics = ArrheniusBM(A=(8.79314e+07,'m^3/(mol*s)'), n=-0.354978, w0=(173,'kJ/mol'), E0=(93.5762,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.013741703414530529, var=1.5926133177271242, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-1C-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-1C-R + Total Standard Deviation in ln(k): 2.5644781905756875"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-1C-R +Total Standard Deviation in ln(k): 2.5644781905756875""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-1C-R_N-3BrCO->O_Ext-1C-R +Total Standard Deviation in ln(k): 2.5644781905756875 +""", +) + +entry( + index = 305, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R", + kinetics = ArrheniusBM(A=(9.27205e+07,'m^3/(mol*s)'), n=-0.310628, w0=(173,'kJ/mol'), E0=(89.3776,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.03456587760583898, var=0.32744995998498544, Tref=1000.0, N=22, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R',), comment="""BM rule fitted to 22 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R + Total Standard Deviation in ln(k): 1.2340233741340056"""), + rank = 11, + shortDesc = """BM rule fitted to 22 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R +Total Standard Deviation in ln(k): 1.2340233741340056""", + longDesc = +""" +BM rule fitted to 22 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R +Total Standard Deviation in ln(k): 1.2340233741340056 +""", +) + +entry( + index = 306, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C", + kinetics = ArrheniusBM(A=(1.11549e+09,'m^3/(mol*s)'), n=-0.68237, w0=(173,'kJ/mol'), E0=(98.3239,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.29431919638206655, var=1.0853977775937997, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C + Total Standard Deviation in ln(k): 2.8280770960896398"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C +Total Standard Deviation in ln(k): 2.8280770960896398""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C +Total Standard Deviation in ln(k): 2.8280770960896398 +""", +) + +entry( + index = 307, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R", + kinetics = ArrheniusBM(A=(1.9609e+09,'m^3/(mol*s)'), n=-0.904668, w0=(173,'kJ/mol'), E0=(22.3689,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.28018604745082587, var=1.8325624862869876, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R + Total Standard Deviation in ln(k): 3.417838454361126"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R +Total Standard Deviation in ln(k): 3.417838454361126""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R +Total Standard Deviation in ln(k): 3.417838454361126 +""", +) + +entry( + index = 308, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF", + kinetics = ArrheniusBM(A=(2.14313e+13,'m^3/(mol*s)'), n=-2.10789, w0=(173,'kJ/mol'), E0=(86.4833,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.2292210902170985, var=0.08276968483892665, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF + Total Standard Deviation in ln(k): 1.152689076722439"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF +Total Standard Deviation in ln(k): 1.152689076722439""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF +Total Standard Deviation in ln(k): 1.152689076722439 +""", +) + +entry( + index = 309, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_5R!H-inRing", + kinetics = ArrheniusBM(A=(3.144e+13,'m^3/(mol*s)'), n=-2.163, w0=(173,'kJ/mol'), E0=(86.8507,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 310, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_N-5R!H-inRing", + kinetics = ArrheniusBM(A=(1.80218e+07,'m^3/(mol*s)'), n=-0.134489, w0=(173,'kJ/mol'), E0=(68.6955,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_N-5R!H-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_N-5R!H-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-5R!H-2CF_N-5R!H-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 311, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-5R!H-2CF", + kinetics = ArrheniusBM(A=(250896,'m^3/(mol*s)'), n=0.298496, w0=(173,'kJ/mol'), E0=(73.0117,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.6275205214902675, var=0.8643428515802953, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-5R!H-2CF',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-5R!H-2CF + Total Standard Deviation in ln(k): 3.4404877499228292"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-5R!H-2CF +Total Standard Deviation in ln(k): 3.4404877499228292""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-5R!H-2CF +Total Standard Deviation in ln(k): 3.4404877499228292 +""", +) + +entry( + index = 312, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C", + kinetics = ArrheniusBM(A=(1.92539e+07,'m^3/(mol*s)'), n=-0.0745672, w0=(173,'kJ/mol'), E0=(74.964,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.04600587343232903, var=0.20801607180280726, Tref=1000.0, N=16, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C',), comment="""BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C + Total Standard Deviation in ln(k): 1.0299278369545217"""), + rank = 11, + shortDesc = """BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C +Total Standard Deviation in ln(k): 1.0299278369545217""", + longDesc = +""" +BM rule fitted to 16 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C +Total Standard Deviation in ln(k): 1.0299278369545217 +""", +) + +entry( + index = 313, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R", + kinetics = ArrheniusBM(A=(1.51229e+07,'m^3/(mol*s)'), n=-0.0676006, w0=(173,'kJ/mol'), E0=(49.7923,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.003749406214745409, var=0.08299210480849455, Tref=1000.0, N=13, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R',), comment="""BM rule fitted to 13 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R + Total Standard Deviation in ln(k): 0.5869517226875783"""), + rank = 11, + shortDesc = """BM rule fitted to 13 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R +Total Standard Deviation in ln(k): 0.5869517226875783""", + longDesc = +""" +BM rule fitted to 13 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R +Total Standard Deviation in ln(k): 0.5869517226875783 +""", +) + +entry( + index = 314, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO", + kinetics = ArrheniusBM(A=(3.11826e+08,'m^3/(mol*s)'), n=-0.382134, w0=(173,'kJ/mol'), E0=(75.8922,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.3183737345414065, var=0.1827168304887792, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO + Total Standard Deviation in ln(k): 1.656865819294608"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO +Total Standard Deviation in ln(k): 1.656865819294608""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO +Total Standard Deviation in ln(k): 1.656865819294608 +""", +) + +entry( + index = 315, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(2.81979e+07,'m^3/(mol*s)'), n=-0.126529, w0=(173,'kJ/mol'), E0=(63.0351,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_Sp-4R!H=3BrBrCCOO_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 316, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO", + kinetics = ArrheniusBM(A=(1.93043e+07,'m^3/(mol*s)'), n=-0.098048, w0=(173,'kJ/mol'), E0=(70.9984,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.02730475287940057, var=0.08728452577365406, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO',), comment="""BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO + Total Standard Deviation in ln(k): 0.6608829293167341"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO +Total Standard Deviation in ln(k): 0.6608829293167341""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO +Total Standard Deviation in ln(k): 0.6608829293167341 +""", +) + +entry( + index = 317, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO", + kinetics = ArrheniusBM(A=(2.17712e+06,'m^3/(mol*s)'), n=0.213828, w0=(173,'kJ/mol'), E0=(91.8286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00017420561540792457, var=0.0990966364878013, Tref=1000.0, N=9, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO',), comment="""BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO + Total Standard Deviation in ln(k): 0.6315206517471764"""), + rank = 11, + shortDesc = """BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO +Total Standard Deviation in ln(k): 0.6315206517471764""", + longDesc = +""" +BM rule fitted to 9 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO +Total Standard Deviation in ln(k): 0.6315206517471764 +""", +) + +entry( + index = 318, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R", + kinetics = ArrheniusBM(A=(2.04234e+06,'m^3/(mol*s)'), n=0.213743, w0=(173,'kJ/mol'), E0=(91.8711,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00019021684654209193, var=0.06095973870725716, Tref=1000.0, N=8, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R',), comment="""BM rule fitted to 8 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R + Total Standard Deviation in ln(k): 0.4954475449108113"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.4954475449108113""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R +Total Standard Deviation in ln(k): 0.4954475449108113 +""", +) + +entry( + index = 319, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R", + kinetics = ArrheniusBM(A=(1.91473e+06,'m^3/(mol*s)'), n=0.213499, w0=(173,'kJ/mol'), E0=(91.8934,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0002843644781612201, var=0.01520205540628923, Tref=1000.0, N=6, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R',), comment="""BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R + Total Standard Deviation in ln(k): 0.24789153373219883"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.24789153373219883""", + longDesc = +""" +BM rule fitted to 6 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R +Total Standard Deviation in ln(k): 0.24789153373219883 +""", +) + +entry( + index = 320, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(1.83408e+06,'m^3/(mol*s)'), n=0.21354, w0=(173,'kJ/mol'), E0=(91.946,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00013833959390359632, var=0.009545124775307553, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 0.19620850882636154"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.19620850882636154""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 0.19620850882636154 +""", +) + +entry( + index = 321, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.7321e+06,'m^3/(mol*s)'), n=0.213053, w0=(173,'kJ/mol'), E0=(91.7789,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00018445277657968474, var=0.0036396741799292346, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 0.12140853954009201"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.12140853954009201""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 0.12140853954009201 +""", +) + +entry( + index = 322, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.76821e+06,'m^3/(mol*s)'), n=0.213187, w0=(173,'kJ/mol'), E0=(92.0401,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-10R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 323, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-9R!H-R", + kinetics = ArrheniusBM(A=(1.91186e+06,'m^3/(mol*s)'), n=0.213947, w0=(173,'kJ/mol'), E0=(92.1381,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-9R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-9R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-5R!H-R_Ext-9R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 324, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(1.92552e+06,'m^3/(mol*s)'), n=0.212513, w0=(173,'kJ/mol'), E0=(91.8365,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 325, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(3.31402e+06,'m^3/(mol*s)'), n=0.214407, w0=(173,'kJ/mol'), E0=(91.5219,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_Sp-4R!H-3BrCO_Ext-4R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-5R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 326, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO", + kinetics = ArrheniusBM(A=(8.05579e+10,'m^3/(mol*s)'), n=-1.31825, w0=(173,'kJ/mol'), E0=(70.2335,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.11515356162216174, var=8.862062190663219e-05, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO + Total Standard Deviation in ln(k): 0.30820283748078453"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO +Total Standard Deviation in ln(k): 0.30820283748078453""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO +Total Standard Deviation in ln(k): 0.30820283748078453 +""", +) + +entry( + index = 327, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_3BrCO-inRing", + kinetics = ArrheniusBM(A=(5.781e+11,'m^3/(mol*s)'), n=-1.568, w0=(173,'kJ/mol'), E0=(71.1639,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_3BrCO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_3BrCO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_3BrCO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_3BrCO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 328, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_N-3BrCO-inRing", + kinetics = ArrheniusBM(A=(1.92839e+08,'m^3/(mol*s)'), n=-0.425577, w0=(173,'kJ/mol'), E0=(70.7985,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_N-3BrCO-inRing',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_N-3BrCO-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_N-3BrCO-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-2CF-R_N-Sp-4R!H=3BrBrCCOO_N-Sp-4R!H-3BrCO_N-3BrCO-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 329, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R", + kinetics = ArrheniusBM(A=(5.38619e+06,'m^3/(mol*s)'), n=0.213797, w0=(173,'kJ/mol'), E0=(93.1835,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.00016139601674549603, var=0.035561666158317407, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R + Total Standard Deviation in ln(k): 0.37845447071147176"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.37845447071147176""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R +Total Standard Deviation in ln(k): 0.37845447071147176 +""", +) + +entry( + index = 330, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R", + kinetics = ArrheniusBM(A=(5.749e+06,'m^3/(mol*s)'), n=0.214, w0=(173,'kJ/mol'), E0=(93.1981,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_Ext-3BrCO-R_N-Sp-3BrBrCCOO=1C_Ext-4R!H-R_Ext-5R!H-R_Ext-6R!H-R_Ext-7R!H-R_Ext-8R!H-R_Ext-9R!H-R_Ext-10R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 331, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_3BrCO->Br", + kinetics = ArrheniusBM(A=(6.23766e+12,'m^3/(mol*s)'), n=-2.0926, w0=(173,'kJ/mol'), E0=(76.0373,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_3BrCO->Br',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_3BrCO->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_3BrCO->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_3BrCO->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 332, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br", + kinetics = ArrheniusBM(A=(5.1212e+08,'m^3/(mol*s)'), n=-0.486282, w0=(173,'kJ/mol'), E0=(74.5286,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.09174528502411183, var=2.2086913598763154, Tref=1000.0, N=11, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br',), comment="""BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br + Total Standard Deviation in ln(k): 3.2098862382056246"""), + rank = 11, + shortDesc = """BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br +Total Standard Deviation in ln(k): 3.2098862382056246""", + longDesc = +""" +BM rule fitted to 11 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br +Total Standard Deviation in ln(k): 3.2098862382056246 +""", +) + +entry( + index = 333, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O", + kinetics = ArrheniusBM(A=(1.55383e+07,'m^3/(mol*s)'), n=7.91731e-08, w0=(173,'kJ/mol'), E0=(74.2358,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4106194988574241, var=0.041321879286125504, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O + Total Standard Deviation in ln(k): 1.4392254951870347"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O +Total Standard Deviation in ln(k): 1.4392254951870347""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O +Total Standard Deviation in ln(k): 1.4392254951870347 +""", +) + +entry( + index = 334, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R", + kinetics = ArrheniusBM(A=(1.54071e+07,'m^3/(mol*s)'), n=2.87541e-08, w0=(173,'kJ/mol'), E0=(73.8976,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.4702287212190456, var=0.055106343110206374, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R + Total Standard Deviation in ln(k): 1.6520855517155943"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R +Total Standard Deviation in ln(k): 1.6520855517155943""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R +Total Standard Deviation in ln(k): 1.6520855517155943 +""", +) + +entry( + index = 335, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C", + kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(94.6468,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-6.661338147750941e-16, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C + Total Standard Deviation in ln(k): 1.6737030521987289e-15"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C +Total Standard Deviation in ln(k): 1.6737030521987289e-15""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C +Total Standard Deviation in ln(k): 1.6737030521987289e-15 +""", +) + +entry( + index = 336, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_Sp-4C-2CF", + kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(88.0115,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_Sp-4C-2CF',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_Sp-4C-2CF + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_Sp-4C-2CF +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_Sp-4C-2CF +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 337, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_N-Sp-4C-2CF", + kinetics = ArrheniusBM(A=(1.81e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(101.282,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_N-Sp-4C-2CF',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_N-Sp-4C-2CF + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_N-Sp-4C-2CF +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_4R!H->C_N-Sp-4C-2CF +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 338, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_N-4R!H->C", + kinetics = ArrheniusBM(A=(1.51e+07,'m^3/(mol*s)'), n=-4.41403e-09, w0=(173,'kJ/mol'), E0=(62.0036,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_N-4R!H->C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_N-4R!H->C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_3CO->O_Ext-2CF-R_N-4R!H->C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 339, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O", + kinetics = ArrheniusBM(A=(6.53371e+08,'m^3/(mol*s)'), n=-0.521521, w0=(173,'kJ/mol'), E0=(106.067,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.1558722777664984, var=2.5591229813264165, Tref=1000.0, N=7, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O',), comment="""BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O + Total Standard Deviation in ln(k): 3.5986655312202775"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O +Total Standard Deviation in ln(k): 3.5986655312202775""", + longDesc = +""" +BM rule fitted to 7 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O +Total Standard Deviation in ln(k): 3.5986655312202775 +""", +) + +entry( + index = 340, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C", + kinetics = ArrheniusBM(A=(9.58073e+08,'m^3/(mol*s)'), n=-0.619182, w0=(173,'kJ/mol'), E0=(92.6958,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.003931094435416637, var=3.092035168239547, Tref=1000.0, N=4, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C',), comment="""BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C + Total Standard Deviation in ln(k): 3.5350401112134833"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C +Total Standard Deviation in ln(k): 3.5350401112134833""", + longDesc = +""" +BM rule fitted to 4 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C +Total Standard Deviation in ln(k): 3.5350401112134833 +""", +) + +entry( + index = 341, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C_Ext-2CF-R", + kinetics = ArrheniusBM(A=(8.41487e+08,'m^3/(mol*s)'), n=-0.692606, w0=(173,'kJ/mol'), E0=(91.9409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.48603527133186847, var=0.49451181887314966, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C_Ext-2CF-R',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C_Ext-2CF-R + Total Standard Deviation in ln(k): 2.630954614494615"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C_Ext-2CF-R +Total Standard Deviation in ln(k): 2.630954614494615""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_Sp-3C-1C_Ext-2CF-R +Total Standard Deviation in ln(k): 2.630954614494615 +""", +) + +entry( + index = 342, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C", + kinetics = ArrheniusBM(A=(8.46126e+07,'m^3/(mol*s)'), n=4.50611e-11, w0=(173,'kJ/mol'), E0=(123.895,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.004336177281116738, var=0.18332710585750625, Tref=1000.0, N=3, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C',), comment="""BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C + Total Standard Deviation in ln(k): 0.869256616574999"""), + rank = 11, + shortDesc = """BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C +Total Standard Deviation in ln(k): 0.869256616574999""", + longDesc = +""" +BM rule fitted to 3 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C +Total Standard Deviation in ln(k): 0.869256616574999 +""", +) + +entry( + index = 343, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_Sp-3C#1C", + kinetics = ArrheniusBM(A=(1e+08,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(144.168,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_Sp-3C#1C',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_Sp-3C#1C + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_Sp-3C#1C +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_Sp-3C#1C +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 344, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C", + kinetics = ArrheniusBM(A=(7.23e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(113.759,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=1.110223024625156e-15, var=0.0, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C + Total Standard Deviation in ln(k): 2.789505086997879e-15"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C +Total Standard Deviation in ln(k): 2.789505086997879e-15""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C +Total Standard Deviation in ln(k): 2.789505086997879e-15 +""", +) + +entry( + index = 345, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C_Ext-2CF-R", + kinetics = ArrheniusBM(A=(7.23e+07,'m^3/(mol*s)'), n=0, w0=(173,'kJ/mol'), E0=(121.132,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C_Ext-2CF-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C_Ext-2CF-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_1BrCFS->C_N-2R->S_N-2BrCF->Br_Ext-1C-R_N-3R!H->F_N-3BrCClINOPSSi->Cl_N-3BrCO->Br_N-3CO->O_N-Sp-3C-1C_N-Sp-3C#1C_Ext-2CF-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 346, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C", + kinetics = ArrheniusBM(A=(3.78184e+06,'m^3/(mol*s)'), n=0.702356, w0=(113,'kJ/mol'), E0=(66.2824,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-3.5951715169634566, var=40.609964819214646, Tref=1000.0, N=2, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C',), comment="""BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C + Total Standard Deviation in ln(k): 21.808458645878552"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C +Total Standard Deviation in ln(k): 21.808458645878552""", + longDesc = +""" +BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C +Total Standard Deviation in ln(k): 21.808458645878552 +""", +) + +entry( + index = 347, + label = "Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C_Ext-1BrFS-R", + kinetics = ArrheniusBM(A=(4.35417e+06,'m^3/(mol*s)'), n=0.747681, w0=(113,'kJ/mol'), E0=(64.5591,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C_Ext-1BrFS-R',), comment="""BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C_Ext-1BrFS-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C_Ext-1BrFS-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node Root_N-1R->H_N-1BrCClFINOPSSi->N_N-1BrCClFOS->Cl_N-1BrCFOS->O_N-1BrCFS-inRing_N-1BrCFS->C_Ext-1BrFS-R +Total Standard Deviation in ln(k): 11.540182761524994 """, ) diff --git a/input/kinetics/families/R_Recombination/training/dictionary.txt b/input/kinetics/families/R_Recombination/training/dictionary.txt index aaec0be87d..553fcbaedd 100644 --- a/input/kinetics/families/R_Recombination/training/dictionary.txt +++ b/input/kinetics/families/R_Recombination/training/dictionary.txt @@ -4258,3 +4258,916 @@ C8H18-5 25 H u0 p0 c0 {8,S} 26 H u0 p0 c0 {8,S} +CH2F +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH3F +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CHF2 +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CH2F2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CFO +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,D} +2 F u0 p3 c0 {1,S} +3 O u0 p2 c0 {1,D} + +F +multiplicity 2 +1 * F u1 p3 c0 + +CF2O +1 C u0 p0 c0 {2,S} {3,S} {4,D} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 O u0 p2 c0 {1,D} + +C2H4F +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H5F +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 F u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4F-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3F2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H4F2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H3F2-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H4F2-2 +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +3 F u0 p3 c0 {2,S} +4 F u0 p3 c0 {2,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H3F2-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H2F3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3F3 +1 C u0 p0 c0 {2,S} {3,S} {6,S} {7,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2H2F3-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H2F3-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3F3-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2HF4 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2H2F4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {8,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2F5 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} + +C2HF5 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {1,S} + +CF3 +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 F u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +C2H2F +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 * C u1 p0 c0 {1,D} {5,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 F u0 p3 c0 {2,S} + +C2H3F +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {3,S} {6,S} +3 F u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2H2F-2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 * C u1 p0 c0 {1,D} {5,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C2HF2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 * C u1 p0 c0 {1,D} {5,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C2H2F2 +1 C u0 p0 c0 {2,D} {5,S} {6,S} +2 C u0 p0 c0 {1,D} {3,S} {4,S} +3 F u0 p3 c0 {2,S} +4 F u0 p3 c0 {2,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} + +C2HF2-2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 * C u1 p0 c0 {1,D} {5,S} +3 F u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 F u0 p3 c0 {2,S} + +C2H2F2-2 +1 C u0 p0 c0 {2,D} {3,S} {5,S} +2 C u0 p0 c0 {1,D} {4,S} {6,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C2F3 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 * C u1 p0 c0 {1,D} {5,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} + +C2HF3 +1 C u0 p0 c0 {2,D} {3,S} {6,S} +2 C u0 p0 c0 {1,D} {4,S} {5,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} + +C3H3F3 +1 F u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 C u0 p0 c0 {4,S} {6,D} {7,S} +6 C u0 p0 c0 {5,D} {8,S} {9,S} +7 H u0 p0 c0 {5,S} +8 H u0 p0 c0 {6,S} +9 H u0 p0 c0 {6,S} + +C3H3F3O +1 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +2 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +3 C u0 p0 c0 {1,S} {2,S} {10,D} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} +9 H u0 p0 c0 {1,S} +10 O u0 p2 c0 {3,D} + +C3H2F4 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 F u0 p3 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3HF4 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,D} {7,S} {8,S} +3 * C u1 p0 c0 {1,S} {2,D} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C3HF4-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 * C u1 p0 c0 {2,D} {8,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 F u0 p3 c0 {3,S} + +C3H2F3 +multiplicity 2 +1 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,D} {7,S} {8,S} +3 * C u1 p0 c0 {1,S} {2,D} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C3H2F4-2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 C u0 p0 c0 {2,D} {8,S} {9,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {3,S} + +C3HF4-3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,D} {7,S} +3 * C u1 p0 c0 {2,D} {8,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {3,S} + +C2H2F4-2 +1 C u0 p0 c0 {2,S} {3,S} {7,S} {8,S} +2 C u0 p0 c0 {1,S} {4,S} {5,S} {6,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {2,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {1,S} + +CBrF3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Br u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} + +Br +multiplicity 2 +1 * Br u1 p3 c0 + +CH3Br +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Br u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CH2Br +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 Br u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +C2H5Br +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {3,S} {7,S} {8,S} +3 Br u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H3Br +1 C u0 p0 c0 {2,D} {4,S} {5,S} +2 C u0 p0 c0 {1,D} {3,S} {6,S} +3 Br u0 p3 c0 {2,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} + +C3H2BrF3 +1 Br u0 p3 c0 {6,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +6 C u0 p0 c0 {1,S} {5,S} {7,D} +7 C u0 p0 c0 {6,D} {8,S} {9,S} +8 H u0 p0 c0 {7,S} +9 H u0 p0 c0 {7,S} + +CBrClF2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Br u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} + +CClF2 +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +CBrF2 +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 Br u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} + +Cl +multiplicity 2 +1 * Cl u1 p3 c0 + +C2Cl2F4 +1 Cl u0 p3 c0 {7,S} +2 Cl u0 p3 c0 {8,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {8,S} +6 F u0 p3 c0 {8,S} +7 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +8 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} + +C2BrClF4 +1 Br u0 p3 c0 {7,S} +2 Cl u0 p3 c0 {8,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {8,S} +6 F u0 p3 c0 {8,S} +7 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +8 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} + +C2Br2F4 +1 Br u0 p3 c0 {7,S} +2 Br u0 p3 c0 {8,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {8,S} +6 F u0 p3 c0 {8,S} +7 C u0 p0 c0 {1,S} {3,S} {4,S} {8,S} +8 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} + +CHBrF2 +1 Br u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} + +CHClF2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CF +multiplicity 2 +1 F u0 p3 c0 {2,S} +2 * C u1 p1 c0 {1,S} + +C2F2 +1 F u0 p3 c0 {3,S} +2 F u0 p3 c0 {4,S} +3 C u0 p1 c0 {1,S} {4,S} +4 C u0 p1 c0 {2,S} {3,S} + +ClHO +1 O u0 p2 c0 {2,S} {3,S} +2 Cl u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} + +ClO +multiplicity 2 +1 Cl u0 p3 c0 {2,S} +2 * O u1 p2 c0 {1,S} + +CH3Cl +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CH2Cl2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} + +CH2Cl +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CHCl3 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {4,S} +4 C u0 p0 c0 {1,S} {2,S} {3,S} {5,S} +5 H u0 p0 c0 {4,S} + +CHCl2 +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} + +CCl4 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 Cl u0 p3 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +CCl3 +multiplicity 2 +1 * C u1 p0 c0 {2,S} {3,S} {4,S} +2 Cl u0 p3 c0 {1,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} + +CHClO +1 C u0 p0 c0 {2,S} {3,D} {4,S} +2 Cl u0 p3 c0 {1,S} +3 O u0 p2 c0 {1,D} +4 H u0 p0 c0 {1,S} + +C2H5Cl +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4Cl2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H3Cl3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4Cl2-2 +1 C u0 p0 c0 {2,S} {3,S} {5,S} {6,S} +2 C u0 p0 c0 {1,S} {4,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {2,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H3Cl3-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +2 C u0 p0 c0 {1,S} {5,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H2Cl4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H2Cl4-2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {7,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {2,S} +6 Cl u0 p3 c0 {2,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} + +C2HCl5 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {2,S} +6 Cl u0 p3 c0 {2,S} +7 Cl u0 p3 c0 {2,S} +8 H u0 p0 c0 {1,S} + +C2H4Cl +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 H u0 p0 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3Cl2 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 C u0 p0 c0 {4,S} {5,S} {6,S} {7,S} +4 * C u1 p0 c0 {1,S} {2,S} {3,S} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} + +C2H2Cl3 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,S} {6,S} +5 * C u1 p0 c0 {3,S} {4,S} {7,S} +6 H u0 p0 c0 {4,S} +7 H u0 p0 c0 {5,S} + +C2HCl4 +multiplicity 2 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {6,S} {7,S} +6 * C u1 p0 c0 {3,S} {4,S} {5,S} +7 H u0 p0 c0 {5,S} + +C2H2Cl2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 C u0 p0 c0 {4,D} {5,S} {6,S} +4 C u0 p0 c0 {1,S} {2,S} {3,D} +5 H u0 p0 c0 {3,S} +6 H u0 p0 c0 {3,S} + +C2H2Cl +multiplicity 2 +1 Cl u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 * C u1 p0 c0 {1,S} {2,D} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} + +C2HCl3 +1 C u0 p0 c0 {2,D} {3,S} {6,S} +2 C u0 p0 c0 {1,D} {4,S} {5,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {2,S} +5 Cl u0 p3 c0 {2,S} +6 H u0 p0 c0 {1,S} + +C2HCl2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 * C u1 p0 c0 {1,D} {5,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 Cl u0 p3 c0 {2,S} + +C2HCl2-2 +multiplicity 2 +1 C u0 p0 c0 {2,D} {3,S} {4,S} +2 * C u1 p0 c0 {1,D} {5,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 H u0 p0 c0 {2,S} + +C2Cl4 +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {6,S} +5 C u0 p0 c0 {1,S} {2,S} {6,D} +6 C u0 p0 c0 {3,S} {4,S} {5,D} + +C2Cl3 +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 Cl u0 p3 c0 {5,S} +4 C u0 p0 c0 {1,S} {2,S} {5,D} +5 * C u1 p0 c0 {3,S} {4,D} + +C2HCl2F3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {8,S} +2 C u0 p0 c0 {1,S} {5,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 F u0 p3 c0 {2,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {1,S} + +CClF +1 Cl u0 p3 c0 {3,S} +2 F u0 p3 c0 {3,S} +3 C u0 p1 c0 {1,S} {2,S} + +C2Cl3F3 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 F u0 p3 c0 {2,S} + +C2Cl2F3 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 F u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 Cl u0 p3 c0 {2,S} + +CCl3F +1 Cl u0 p3 c0 {5,S} +2 Cl u0 p3 c0 {5,S} +3 Cl u0 p3 c0 {5,S} +4 F u0 p3 c0 {5,S} +5 C u0 p0 c0 {1,S} {2,S} {3,S} {4,S} + +CCl2F +multiplicity 2 +1 Cl u0 p3 c0 {4,S} +2 Cl u0 p3 c0 {4,S} +3 F u0 p3 c0 {4,S} +4 * C u1 p0 c0 {1,S} {2,S} {3,S} + +CClFO +1 Cl u0 p3 c0 {4,S} +2 F u0 p3 c0 {4,S} +3 O u0 p2 c0 {4,D} +4 C u0 p0 c0 {1,S} {2,S} {3,D} + +C3H7Cl +1 Cl u0 p3 c0 {2,S} +2 C u0 p0 c0 {1,S} {3,S} {4,S} {5,S} +3 C u0 p0 c0 {2,S} {6,S} {7,S} {8,S} +4 C u0 p0 c0 {2,S} {9,S} {10,S} {11,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} +7 H u0 p0 c0 {3,S} +8 H u0 p0 c0 {3,S} +9 H u0 p0 c0 {4,S} +10 H u0 p0 c0 {4,S} +11 H u0 p0 c0 {4,S} + +C2Cl6 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 Cl u0 p3 c0 {1,S} +5 Cl u0 p3 c0 {1,S} +6 Cl u0 p3 c0 {2,S} +7 Cl u0 p3 c0 {2,S} +8 Cl u0 p3 c0 {2,S} + +C2Cl5 +multiplicity 2 +1 Cl u0 p3 c0 {6,S} +2 Cl u0 p3 c0 {6,S} +3 Cl u0 p3 c0 {6,S} +4 Cl u0 p3 c0 {7,S} +5 Cl u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 * C u1 p0 c0 {4,S} {5,S} {6,S} + +C2ClF4 +multiplicity 2 +1 Cl u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 * C u1 p0 c0 {4,S} {5,S} {6,S} + +C2HClF4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Cl u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2BrF4 +multiplicity 2 +1 Br u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 F u0 p3 c0 {7,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 * C u1 p0 c0 {4,S} {5,S} {6,S} + +C2HBrF4 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 Br u0 p3 c0 {1,S} +4 F u0 p3 c0 {1,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 H u0 p0 c0 {2,S} + +C2H4Cl-2 +multiplicity 2 +1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 * C u1 p0 c0 {1,S} {6,S} {7,S} +3 Cl u0 p3 c0 {1,S} +4 H u0 p0 c0 {1,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {2,S} +7 H u0 p0 c0 {2,S} + +C2H3Cl +1 Cl u0 p3 c0 {3,S} +2 C u0 p0 c0 {3,D} {4,S} {5,S} +3 C u0 p0 c0 {1,S} {2,D} {6,S} +4 H u0 p0 c0 {2,S} +5 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {3,S} + diff --git a/input/kinetics/families/R_Recombination/training/reactions.py b/input/kinetics/families/R_Recombination/training/reactions.py index 813c7423bc..15c8c5610f 100644 --- a/input/kinetics/families/R_Recombination/training/reactions.py +++ b/input/kinetics/families/R_Recombination/training/reactions.py @@ -4710,3 +4710,1184 @@ """, ) +entry( + index = 177, + label = "CFO + F <=> CF2O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 178, + label = "C2H4F + H <=> C2H5F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.19e+35,'cm^3/(mol*s)'), n=-8.51, Ea=(8140,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 179, + label = "C2H4F-2 + H <=> C2H5F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.57e+38,'cm^3/(mol*s)'), n=-9.24, Ea=(7360,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 180, + label = "C2H3F2 + H <=> C2H4F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.56e+45,'cm^3/(mol*s)'), n=-10.8, Ea=(8070,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 181, + label = "C2H3F2-2 + H <=> C2H4F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.96e+37,'cm^3/(mol*s)'), n=-9.05, Ea=(7160,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 182, + label = "C2H3F2-3 + H <=> C2H4F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.11e+40,'cm^3/(mol*s)'), n=-9.59, Ea=(7190,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 183, + label = "C2H2F3 + H <=> C2H3F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.2e+44,'cm^3/(mol*s)'), n=-10.6, Ea=(7520,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 184, + label = "C2H2F3-2 + H <=> C2H3F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.74e+43,'cm^3/(mol*s)'), n=-10.5, Ea=(7670,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 185, + label = "C2H2F3-3 + H <=> C2H3F3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.27e+42,'cm^3/(mol*s)'), n=-9.86, Ea=(7360,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 186, + label = "C2HF4 + H <=> C2H2F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.77e+46,'cm^3/(mol*s)'), n=-10.8, Ea=(8980,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 187, + label = "C2F5 + H <=> C2HF5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+47,'cm^3/(mol*s)'), n=-10.8, Ea=(4100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 188, + label = "CH3 + CH2F <=> C2H5F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.57e+31,'cm^3/(mol*s)'), n=-6.27, Ea=(4440,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 189, + label = "CH2F + CH2F <=> C2H4F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.37e+24,'cm^3/(mol*s)'), n=-3.79, Ea=(2290,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 190, + label = "CH3 + CHF2 <=> C2H4F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.35e+08,'cm^3/(mol*s)'), n=0, Ea=(-9614,'cal/mol'), T0=(1,'K')), + rank = 5, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 191, + label = "CH2F + CHF2 <=> C2H3F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.61e+38,'cm^3/(mol*s)'), n=-8.36, Ea=(6940,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 192, + label = "CH3 + CF3 <=> C2H3F3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.78e+33,'cm^3/(mol*s)'), n=-6.64, Ea=(5020,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 193, + label = "CHF2 + CHF2 <=> C2H2F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.26e+24,'cm^3/(mol*s)'), n=-3.5, Ea=(3360,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 194, + label = "CHF2 + CF3 <=> C2HF5", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.61e+26,'cm^3/(mol*s)'), n=-4.16, Ea=(4100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 195, + label = "C2H2F + H <=> C2H3F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+34,'cm^3/(mol*s)'), n=-7.11, Ea=(5040,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 196, + label = "C2H2F-2 + H <=> C2H3F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+34,'cm^3/(mol*s)'), n=-7.11, Ea=(5040,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 197, + label = "C2HF2 + H <=> C2H2F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+34,'cm^3/(mol*s)'), n=-7.11, Ea=(5040,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 198, + label = "C2HF2-2 + H <=> C2H2F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+34,'cm^3/(mol*s)'), n=-7.11, Ea=(5040,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 199, + label = "C2F3 + H <=> C2HF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.4e+34,'cm^3/(mol*s)'), n=-7.11, Ea=(5040,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 200, + label = "C3H3F3 <=> CF3 + C2H3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8e+16,'s^-1'), n=0, Ea=(109000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 201, + label = "C2H3O + CF3 <=> C3H3F3O", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 202, + label = "C3H2F4 <=> CF3 + C2H2F-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+15,'s^-1'), n=0, Ea=(116000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 203, + label = "C3HF4 + H <=> C3H2F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 204, + label = "C3HF4-2 + H <=> C3H2F4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 205, + label = "C3H2F3 + F <=> C3H2F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 206, + label = "C3HF4-3 + H <=> C3H2F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 207, + label = "CH2F + CF3 <=> C2H2F4-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.24e+12,'cm^3/(mol*s)'), n=0, Ea=(-4217,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST 2019 CH2F2 model""", +) + +entry( + index = 208, + label = "CHF2 + CH3 <=> C2H4F2-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.93e+35,'cm^3/(mol*s)'), n=-7.69, Ea=(5760,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3 + CHF2 <=> CH3-CHF2""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3 + CHF2 <=> CH3-CHF2 +""", +) + +entry( + index = 209, + label = "CBrF3 <=> CF3 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'s^-1'), n=0, Ea=(62800,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3BR <=> CF3 + BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CF3BR <=> CF3 + BR +""", +) + +entry( + index = 210, + label = "CH3Br <=> CH3 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.58e+13,'s^-1'), n=0, Ea=(71700,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3BR <=> CH3 + BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH3BR <=> CH3 + BR +""", +) + +entry( + index = 211, + label = "CH3 + CH2Br <=> C2H5Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.1e+11,'cm^3/(mol*s)'), n=0, Ea=(-4300,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2BR + CH3 <=> C2H5BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: CH2BR + CH3 <=> C2H5BR +""", +) + +entry( + index = 212, + label = "Br + C2H5 <=> C2H5Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5 + BR <=> C2H5BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H5 + BR <=> C2H5BR +""", +) + +entry( + index = 213, + label = "Br + C2H3 <=> C2H3Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H3 + BR <=> C2H3BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: C2H3 + BR <=> C2H3BR +""", +) + +entry( + index = 214, + label = "C3H2BrF3 <=> C3H2F3 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+13,'s^-1'), n=0, Ea=(82460,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is BTP <=> CF3CCH2 + BR""", + longDesc = +""" +Training reaction from kinetics library: 2-BTP +Original entry: BTP <=> CF3CCH2 + BR +""", +) + +entry( + index = 215, + label = "CBrClF2 <=> CClF2 + Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+15,'s^-1'), n=0, Ea=(62600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2BRCL <=> CF2CL + BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2BRCL <=> CF2CL + BR +""", +) + +entry( + index = 216, + label = "CBrClF2 <=> CBrF2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.3e+15,'s^-1'), n=0, Ea=(78010,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2BRCL <=> CF2BR + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2BRCL <=> CF2BR + CL +""", +) + +entry( + index = 217, + label = "CClF2 + CClF2 <=> C2Cl2F4", + degeneracy = 0.5, + kinetics = Arrhenius(A=(1.4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2CL + CF2CL <=> C2F4CL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2CL + CF2CL <=> C2F4CL2 +""", +) + +entry( + index = 218, + label = "CBrF2 + CClF2 <=> C2BrClF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2CL + CF2BR <=> C2F4BRCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2CL + CF2BR <=> C2F4BRCL +""", +) + +entry( + index = 219, + label = "CBrF2 + CBrF2 <=> C2Br2F4", + degeneracy = 0.5, + kinetics = Arrhenius(A=(1.4e+12,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2BR + CF2BR <=> C2F4BR2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2BR + CF2BR <=> C2F4BR2 +""", +) + +entry( + index = 220, + label = "Br + CHF2 <=> CHBrF2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.49e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2 + BR <=> CHF2BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2 + BR <=> CHF2BR +""", +) + +entry( + index = 221, + label = "Cl + CHF2 <=> CHClF2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.54e+14,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2 + CL <=> CHF2CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2 + CL <=> CHF2CL +""", +) + +entry( + index = 222, + label = "CF + CF <=> C2F2", + degeneracy = 0.5, + kinetics = Arrhenius(A=(5e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF + CF <=> C2F2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF + CF <=> C2F2 +""", +) + +entry( + index = 223, + label = "Br + C2H3 <=> C2H3Br", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H3 + BR <=> C2H3BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2H3 + BR <=> C2H3BR +""", +) + +entry( + index = 224, + label = "ClHO <=> OH + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.76e+20,'s^-1'), n=-3.01, Ea=(56720,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HOCL <=> CL + OH""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: HOCL <=> CL + OH +""", +) + +entry( + index = 225, + label = "ClHO <=> H + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.12e+14,'s^-1'), n=-2.09, Ea=(93690,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HOCL <=> H + CLO""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: HOCL <=> H + CLO +""", +) + +entry( + index = 226, + label = "CH3Cl <=> CH3 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.31e+37,'s^-1'), n=-6.92, Ea=(90650,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CL <=> CH3 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CL <=> CH3 + CL +""", +) + +entry( + index = 227, + label = "CH2Cl2 <=> CH2Cl + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.6e+40,'s^-1'), n=-7.84, Ea=(83600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL2 <=> CH2CL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CL2 <=> CH2CL + CL +""", +) + +entry( + index = 228, + label = "CHCl3 <=> CHCl2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.65e+19,'s^-1'), n=-1.88, Ea=(72040,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL3 <=> CHCL2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL3 <=> CHCL2 + CL +""", +) + +entry( + index = 229, + label = "CCl4 <=> CCl3 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.89e+32,'s^-1'), n=-5.41, Ea=(73395,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CCL4 <=> CCL3 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CCL4 <=> CCL3 + CL +""", +) + +entry( + index = 230, + label = "H + CH2Cl <=> CH3Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.04e+25,'cm^3/(mol*s)'), n=-4.47, Ea=(3490,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL + H <=> CH3CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CL + H <=> CH3CL +""", +) + +entry( + index = 231, + label = "H + CHCl2 <=> CH2Cl2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.81e+26,'cm^3/(mol*s)'), n=-4.82, Ea=(3810,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2 + H <=> CH2CL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL2 + H <=> CH2CL2 +""", +) + +entry( + index = 232, + label = "CHClO <=> CHO + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.86e+29,'s^-1'), n=-5.15, Ea=(92920,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCLO <=> HCO + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCLO <=> HCO + CL +""", +) + +entry( + index = 233, + label = "CH2Cl + CH3 <=> C2H5Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.27e+40,'cm^3/(mol*s)'), n=-8.49, Ea=(10590,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3 + CH2CL <=> C2H5CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3 + CH2CL <=> C2H5CL +""", +) + +entry( + index = 234, + label = "CHCl2 + CH3 <=> C2H4Cl2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.28e+41,'cm^3/(mol*s)'), n=-8.68, Ea=(11620,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3 + CHCL2 <=> CH3CHCL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3 + CHCL2 <=> CH3CHCL2 +""", +) + +entry( + index = 235, + label = "CCl3 + CH3 <=> C2H3Cl3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(9.54e+46,'cm^3/(mol*s)'), n=-10.66, Ea=(11740,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3 + CCL3 <=> CH3CCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3 + CCL3 <=> CH3CCL3 +""", +) + +entry( + index = 236, + label = "CH2Cl + CH2Cl <=> C2H4Cl2-2", + degeneracy = 0.5, + kinetics = Arrhenius(A=(7.84e+45,'cm^3/(mol*s)'), n=-10.21, Ea=(13150,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL + CH2CL <=> CH2CLCH2CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CL + CH2CL <=> CH2CLCH2CL +""", +) + +entry( + index = 237, + label = "CHCl2 + CH2Cl <=> C2H3Cl3-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.41e+43,'cm^3/(mol*s)'), n=-10.22, Ea=(12910,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL + CHCL2 <=> CH2CLCHCL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CL + CHCL2 <=> CH2CLCHCL2 +""", +) + +entry( + index = 238, + label = "CCl3 + CH2Cl <=> C2H2Cl4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.01e+45,'cm^3/(mol*s)'), n=-10.15, Ea=(10670,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL + CCL3 <=> CH2CLCCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CL + CCL3 <=> CH2CLCCL3 +""", +) + +entry( + index = 239, + label = "CHCl2 + CHCl2 <=> C2H2Cl4-2", + degeneracy = 0.5, + kinetics = Arrhenius(A=(9.08e+45,'cm^3/(mol*s)'), n=-10.56, Ea=(13170,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2 + CHCL2 <=> CHCL2CHCL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL2 + CHCL2 <=> CHCL2CHCL2 +""", +) + +entry( + index = 240, + label = "C2HCl5 <=> CHCl2 + CCl3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.98e+17,'s^-1'), n=0, Ea=(76710,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HCL5 <=> CHCL2 + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HCL5 <=> CHCL2 + CCL3 +""", +) + +entry( + index = 241, + label = "C2H5Cl <=> C2H5 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.35e+43,'s^-1'), n=-8.5, Ea=(96980,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5CL <=> C2H5 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2H5CL <=> C2H5 + CL +""", +) + +entry( + index = 242, + label = "C2H4Cl2 <=> C2H4Cl + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.17e+42,'s^-1'), n=-8.1, Ea=(92670,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CHCL2 <=> CH3CHCL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CHCL2 <=> CH3CHCL + CL +""", +) + +entry( + index = 243, + label = "C2H3Cl3 <=> C2H3Cl2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.17e+42,'s^-1'), n=-8.1, Ea=(92670,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CCL3 <=> CH3CCL2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH3CCL3 <=> CH3CCL2 + CL +""", +) + +entry( + index = 244, + label = "C2H2Cl4-2 <=> C2H2Cl3 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.2e+15,'s^-1'), n=0, Ea=(67600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2CHCL2 <=> CHCLCHCL2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHCL2CHCL2 <=> CHCLCHCL2 + CL +""", +) + +entry( + index = 245, + label = "C2HCl5 <=> C2HCl4 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.26e+25,'s^-1'), n=-2.86, Ea=(69610,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HCL5 <=> CHCL2CCL2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HCL5 <=> CHCL2CCL2 + CL +""", +) + +entry( + index = 246, + label = "C2H2Cl2 <=> C2H2Cl + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.1e+14,'s^-1'), n=0, Ea=(80600,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CCL2 <=> CH2CCL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CH2CCL2 <=> CH2CCL + CL +""", +) + +entry( + index = 247, + label = "C2HCl3 <=> C2HCl2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.89e+24,'s^-1'), n=-2.77, Ea=(91140,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HCL3 <=> CHCLCCL + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HCL3 <=> CHCLCCL + CL +""", +) + +entry( + index = 248, + label = "C2HCl3 <=> C2HCl2-2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.4e+23,'s^-1'), n=-2.7, Ea=(90020,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2HCL3 <=> CHCCL2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2HCL3 <=> CHCCL2 + CL +""", +) + +entry( + index = 249, + label = "C2Cl4 <=> C2Cl3 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.34e+26,'s^-1'), n=-3.24, Ea=(90180,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2CL4 <=> C2CL3 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2CL4 <=> C2CL3 + CL +""", +) + +entry( + index = 250, + label = "C2HCl2F3 <=> CHCl2 + CF3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+16,'s^-1'), n=0, Ea=(89000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCL2H <=> CF3 + CHCL2""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF3CCL2H <=> CF3 + CHCL2 +""", +) + +entry( + index = 251, + label = "Cl + CF <=> CClF", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF + CL <=> CFCL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF + CL <=> CFCL +""", +) + +entry( + index = 252, + label = "CCl3 + CF3 <=> C2Cl3F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.4e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3 + CCL3 <=> CF3CCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF3 + CCL3 <=> CF3CCL3 +""", +) + +entry( + index = 253, + label = "Cl + C2Cl2F3 <=> C2Cl3F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+13,'cm^3/(mol*s)'), n=0, Ea=(0,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCL2 + CL <=> CF3CCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF3CCL2 + CL <=> CF3CCL3 +""", +) + +entry( + index = 254, + label = "H + C2Cl2F3 <=> C2HCl2F3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+47,'cm^3/(mol*s)'), n=-10.8, Ea=(4100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CCL2 + H <=> CF3CCL2H""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF3CCL2 + H <=> CF3CCL2H +""", +) + +entry( + index = 255, + label = "CCl3F <=> CCl2F + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+16,'s^-1'), n=0, Ea=(52460,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CFCL3 <=> CFCL2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CFCL3 <=> CFCL2 + CL +""", +) + +entry( + index = 256, + label = "H + CClF2 <=> CHClF2", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(2.5e+13,'cm^3/(mol*s)'), n=0, Ea=(3990,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF2CL + H <=> CHF2CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CF2CL + H <=> CHF2CL +""", +) + +entry( + index = 257, + label = "CClFO <=> CFO + Cl", + degeneracy = 1.0, + duplicate = True, + kinetics = Arrhenius(A=(3e+14,'s^-1'), n=0, Ea=(83000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CFCLO <=> CF:O + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CFCLO <=> CF:O + CL +""", +) + +entry( + index = 258, + label = "C3H7Cl <=> C3H7-2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.35e+43,'s^-1'), n=-8.5, Ea=(96980,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is IC3H7CL <=> IC3H7 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: IC3H7CL <=> IC3H7 + CL +""", +) + +entry( + index = 259, + label = "C2Cl6 <=> C2Cl5 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1e+16,'s^-1'), n=0, Ea=(69200,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2CL6 <=> C2CL5 + CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2CL6 <=> C2CL5 + CL +""", +) + +entry( + index = 260, + label = "C2Cl6 <=> CCl3 + CCl3", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.31e+17,'s^-1'), n=0, Ea=(68400,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2CL6 <=> CCL3 + CCL3""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2CL6 <=> CCL3 + CCL3 +""", +) + +entry( + index = 261, + label = "H + C2ClF4 <=> C2HClF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+47,'cm^3/(mol*s)'), n=-10.8, Ea=(4100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2F4CL + H <=> C2HF4CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2F4CL + H <=> C2HF4CL +""", +) + +entry( + index = 262, + label = "CClF2 + CHF2 <=> C2HClF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.61e+26,'cm^3/(mol*s)'), n=-4.16, Ea=(4100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2 + CF2CL <=> C2HF4CL""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2 + CF2CL <=> C2HF4CL +""", +) + +entry( + index = 263, + label = "H + C2BrF4 <=> C2HBrF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.12e+47,'cm^3/(mol*s)'), n=-10.8, Ea=(4100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2F4BR + H <=> C2HF4BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: C2F4BR + H <=> C2HF4BR +""", +) + +entry( + index = 264, + label = "CBrF2 + CHF2 <=> C2HBrF4", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.61e+26,'cm^3/(mol*s)'), n=-4.16, Ea=(4100,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHF2 + CF2BR <=> C2HF4BR""", + longDesc = +""" +Training reaction from kinetics library: CF2BrCl +Original entry: CHF2 + CF2BR <=> C2HF4BR +""", +) + +entry( + index = 265, + label = "ClHO <=> H + ClO", + degeneracy = 1.0, + kinetics = Arrhenius(A=(8.1e+14,'s^-1'), n=-2.09, Ea=(93690,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is HOCL <=> H + CLO""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: HOCL <=> H + CLO +""", +) + +entry( + index = 266, + label = "H + CH2Cl <=> CH3Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3e+25,'cm^3/(mol*s)'), n=-4.47, Ea=(3490,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CL + H <=> CH3CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2CL + H <=> CH3CL +""", +) + +entry( + index = 267, + label = "H + CHCl2 <=> CH2Cl2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(4.8e+26,'cm^3/(mol*s)'), n=-4.82, Ea=(3810,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CHCL2 + H <=> CH2CL2""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CHCL2 + H <=> CH2CL2 +""", +) + +entry( + index = 268, + label = "C2H5Cl <=> C2H5 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5e+15,'s^-1'), n=0, Ea=(83000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H5CL <=> C2H5 + CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H5CL <=> C2H5 + CL +""", +) + +entry( + index = 269, + label = "C2H4Cl2-2 <=> C2H4Cl-2 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(6.2e+15,'s^-1'), n=0, Ea=(78000,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2CLCH2CL <=> CH2CLCH2 + CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: CH2CLCH2CL <=> CH2CLCH2 + CL +""", +) + +entry( + index = 270, + label = "C2H3Cl <=> C2H3 + Cl", + degeneracy = 1.0, + kinetics = Arrhenius(A=(1.7e+38,'s^-1'), n=-7.13, Ea=(96370,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is C2H3CL <=> C2H3 + CL""", + longDesc = +""" +Training reaction from kinetics library: CH3Cl +Original entry: C2H3CL <=> C2H3 + CL +""", +) + +entry( + index = 271, + label = "CH2F + H <=> CH3F", + degeneracy = 1.0, + kinetics = Arrhenius(A=(3.03e+21,'cm^3/(mol*s)'), n=-3.38, Ea=(3460,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + +entry( + index = 272, + label = "CHF2 + H <=> CH2F2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(2.75e+06,'cm^3/(mol*s)'), n=-0.32, Ea=(7690,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """From NIST CH2F2 model""", +) + diff --git a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py index 626d8c3f79..93cccb176e 100644 --- a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py +++ b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/groups.py @@ -2,16 +2,22 @@ # encoding: utf-8 name = "Singlet_Carbene_Intra_Disproportionation/groups" -shortDesc = u"Convert a singlet carbene to a closed-shell molecule through a concerted 1,2-H shift + 1,2-bond formation" -longDesc = u""" +shortDesc = "Convert a singlet carbene to a closed-shell molecule through a concerted 1,2-H shift + 1,2-bond formation" +longDesc = """ Reaction site *1 should always be a singlet in this family. """ -template(reactants=["singletcarbene_CH"], products=["CH_C_unsaturated"], ownReverse=False) +template(reactants=["Root"], products=["CH_C_unsaturated"], ownReverse=False) reverse = "SingletCarbenefromMultipleBond" - reversible = True + +reactantNum = 1 + +productNum = 1 + +autoGenerated = True + recipe(actions=[ ['LOSE_PAIR', '*1', '1'], ['FORM_BOND', '*1', 1, '*3'], @@ -23,259 +29,208 @@ entry( index = 0, - label = "singletcarbene_CH", + label = "Root", group = """ -1 *1 C u0 p1 c0 {2,[S,D]} -2 *2 C u0 {1,[S,D]} {3,S} -3 *3 H u0 {2,S} +1 *2 C u0 {2,S} {3,[S,D]} +2 *3 [H,F1s,Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} """, kinetics = None, ) entry( index = 1, - label = "singletcarbene", + label = "CCH", group = """ -1 *1 C u0 p1 c0 +1 *2 C u0 {2,S} {3,[S,D]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} """, kinetics = None, ) entry( index = 2, - label = "CH", + label = "CCH_Ext-3C-R_4R!H->Br", group = """ -1 *2 C u0 {2,S} -2 *3 H u0 {1,S} +1 *2 C u0 {2,S} {3,[S,D]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} {4,S} +4 Br u0 {3,S} """, kinetics = None, ) entry( index = 3, - label = "fulvene_backbone", + label = "CCH_Ext-3C-R_N-4R!H->Br", group = """ -1 *2 C u0 {2,S} {6,S} {7,S} -2 C u0 {1,S} {3,S} {5,D} -3 C u0 {2,S} {4,D} -4 C u0 {3,D} {6,S} -5 C u0 {2,D} -6 *1 C u0 p1 c0 {1,S} {4,S} -7 *3 H u0 {1,S} +1 *2 C u0 {2,S} {3,[S,D]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} {4,[S,D,T,B,Q]} +4 [C,O,Si,S,N,P,F,I,Cl] ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 4, - label = "benzene_backbone", + label = "CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F", group = """ -1 *2 C u0 {2,S} {6,S} {7,S} -2 C u0 {1,S} {3,D} -3 C u0 {2,D} {4,S} -4 C u0 {3,S} {5,D} -5 C u0 {4,D} {6,S} -6 *1 C u0 p1 c0 {1,S} {5,S} -7 *3 H u0 {1,S} +1 *2 C u0 {2,S} {3,S} +2 *3 H u0 r0 {1,S} +3 *1 C u0 p1 c0 {1,S} {4,[S,D,T,B,Q]} +4 F ux {3,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 5, - label = "CsJ2-C", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F", group = """ -1 *1 C u0 p1 c0 {2,S} -2 *2 C u0 {1,S} {3,S} -3 *3 H u0 {2,S} +1 *2 C u0 {2,S} {3,[S,D]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} {4,S} +4 [C,Cl] u0 {3,S} """, kinetics = None, ) entry( index = 6, - label = "CdJ2=C", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing", group = """ -1 *1 C u0 p1 c0 {2,D} -2 *2 C u0 {1,D} {3,S} -3 *3 H u0 {2,S} +1 *2 C u0 r1 {2,S} {3,[S,D]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} {4,S} +4 C u0 {3,S} """, kinetics = None, ) entry( index = 7, - label = "CdJ2", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C", group = """ -1 *1 C2d u0 p1 c0 +1 *2 C u0 r1 {2,S} {3,[S,D]} {5,S} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} {4,S} +4 C u0 {3,S} +5 C u0 {1,S} """, kinetics = None, ) entry( index = 8, - label = "CsJ2H", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R", group = """ -1 *1 C2s u0 p1 c0 {2,S} -2 H u0 {1,S} +1 *2 C u0 r1 {2,S} {3,[S,D]} {5,S} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 r1 {1,[S,D]} {4,S} +4 C u0 r1 {3,S} +5 C u0 r1 {1,S} {6,[S,D,T,B,Q]} {7,[S,D,T,B,Q]} +6 R!H ux {5,[S,D,T,B,Q]} +7 R!H ux {5,[S,D,T,B,Q]} """, kinetics = None, ) entry( index = 9, - label = "CsJ2C", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C", group = """ -1 *1 C2s u0 p1 c0 {2,S} -2 C u0 {1,S} +1 *2 C u0 r1 {2,S} {3,[S,D]} {5,[B,D,T,Q]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} {4,S} +4 C u0 {3,S} +5 C u0 {1,[B,D,T,Q]} """, kinetics = None, ) entry( index = 10, - label = "CsJ2(CsC)", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl", group = """ -1 *1 C2s u0 p1 c0 {2,S} -2 Cs u0 {1,S} {3,S} -3 C u0 {2,S} +1 *2 C u0 r1 {2,S} {3,[S,D]} {5,D} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 r1 {1,[S,D]} {4,S} +4 C u0 r1 {3,S} {6,S} +5 C u0 r1 {1,D} +6 C u0 r1 {4,S} """, kinetics = None, ) entry( index = 11, - label = "CsJ2(C=C)", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl", group = """ -1 *1 C2s u0 p1 c0 {2,S} -2 Cd u0 {1,S} {3,D} -3 C u0 {2,D} +1 *2 C u0 r1 {2,S} {3,[S,D]} {5,D} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 r1 {1,[S,D]} {4,S} +4 C u0 r1 {3,S} {6,[B,D,T,Q]} +5 C u0 r1 {1,D} +6 C u0 r1 {4,[B,D,T,Q]} """, kinetics = None, ) entry( index = 12, - label = "CdH2", + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing", group = """ -1 *2 Cd u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} +1 *2 C u0 r0 {2,S} {3,[S,D]} +2 *3 H u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} {4,S} +4 [C,Cl] u0 {3,S} """, kinetics = None, ) entry( index = 13, - label = "CdHC", + label = "CCY", group = """ -1 *2 Cd u0 {2,S} {3,S} -2 *3 H u0 {1,S} -3 C u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 14, - label = "CH3", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 H u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 15, - label = "CH2(C)", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 C u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 16, - label = "CH2(C=C)", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} -2 *3 H u0 {1,S} -3 H u0 {1,S} -4 Cd u0 {1,S} {5,D} -5 C u0 {4,D} -""", - kinetics = None, -) - -entry( - index = 17, - label = "CH(C)C", - group = -""" -1 *2 Cs u0 {2,S} {3,S} {4,S} -2 *3 H u0 {1,S} -3 C u0 {1,S} -4 C u0 {1,S} -""", - kinetics = None, -) - -entry( - index = 18, - label = "CH=C", - group = -""" -1 *2 Cd u0 {2,S} {3,D} -2 *3 H u0 {1,S} -3 C u0 {1,D} +1 *2 C u0 {2,S} {3,[S,D]} +2 *3 [F1s,Cl1s,Br1s] u0 {1,S} +3 *1 C u0 p1 c0 {1,[S,D]} """, kinetics = None, ) tree( """ -L1: singletcarbene_CH - L2: fulvene_backbone - L2: benzene_backbone - L2: CsJ2-C - L2: CdJ2=C -L1: singletcarbene - L2: CdJ2 - L2: CsJ2H - L2: CsJ2C - L3: CsJ2(CsC) - L3: CsJ2(C=C) -L1: CH - L2: CdH2 - L2: CdHC - L2: CH3 - L2: CH2(C) - L3: CH2(C=C) - L2: CH(C)C - L2: CH=C +L1: Root + L2: CCH + L3: CCH_Ext-3C-R_4R!H->Br + L3: CCH_Ext-3C-R_N-4R!H->Br + L4: CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F + L4: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F + L5: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing + L6: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C + L7: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R + L6: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C + L7: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl + L7: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl + L5: CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing + L2: CCY """ ) diff --git a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/rules.py b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/rules.py index b8a170f5ea..e80d7c5c42 100644 --- a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/rules.py +++ b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/rules.py @@ -2,7 +2,217 @@ # encoding: utf-8 name = "Singlet_Carbene_Intra_Disproportionation/rules" -shortDesc = u"Convert a singlet carbene to a closed-shell molecule through a concerted 1,2-H shift + 1,2-bond formation" -longDesc = u""" +shortDesc = "Convert a singlet carbene to a closed-shell molecule through a concerted 1,2-H shift + 1,2-bond formation" +longDesc = """ Reaction site *1 should always be a singlet in this family. """ +entry( + index = 1, + label = "Root", + kinetics = ArrheniusBM(A=(1.79864e+17,'s^-1'), n=-1.47793, w0=(548.25,'kJ/mol'), E0=(114.78,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5549334436695161, var=16.974171373432917, Tref=1000.0, N=8, data_mean=0.0, correlation='Root',), comment="""BM rule fitted to 8 training reactions at node Root + Total Standard Deviation in ln(k): 9.653758030260164"""), + rank = 11, + shortDesc = """BM rule fitted to 8 training reactions at node Root +Total Standard Deviation in ln(k): 9.653758030260164""", + longDesc = +""" +BM rule fitted to 8 training reactions at node Root +Total Standard Deviation in ln(k): 9.653758030260164 +""", +) + +entry( + index = 2, + label = "CCH", + kinetics = ArrheniusBM(A=(1.20443e+17,'s^-1'), n=-1.43042, w0=(539,'kJ/mol'), E0=(113.022,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.514991623114097, var=15.884634944160005, Tref=1000.0, N=7, data_mean=0.0, correlation='CCH',), comment="""BM rule fitted to 7 training reactions at node CCH + Total Standard Deviation in ln(k): 9.28392726413843"""), + rank = 11, + shortDesc = """BM rule fitted to 7 training reactions at node CCH +Total Standard Deviation in ln(k): 9.28392726413843""", + longDesc = +""" +BM rule fitted to 7 training reactions at node CCH +Total Standard Deviation in ln(k): 9.28392726413843 +""", +) + +entry( + index = 3, + label = "CCH_Ext-3C-R_4R!H->Br", + kinetics = ArrheniusBM(A=(5e+12,'s^-1'), n=4.22455e-09, w0=(539,'kJ/mol'), E0=(101.409,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CCH_Ext-3C-R_4R!H->Br',), comment="""BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_4R!H->Br + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_4R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_4R!H->Br +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 4, + label = "CCH_Ext-3C-R_N-4R!H->Br", + kinetics = ArrheniusBM(A=(1.18269e+17,'s^-1'), n=-1.42952, w0=(539,'kJ/mol'), E0=(112.965,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5517143818398826, var=16.398565006535087, Tref=1000.0, N=6, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br',), comment="""BM rule fitted to 6 training reactions at node CCH_Ext-3C-R_N-4R!H->Br + Total Standard Deviation in ln(k): 9.504420141194425"""), + rank = 11, + shortDesc = """BM rule fitted to 6 training reactions at node CCH_Ext-3C-R_N-4R!H->Br +Total Standard Deviation in ln(k): 9.504420141194425""", + longDesc = +""" +BM rule fitted to 6 training reactions at node CCH_Ext-3C-R_N-4R!H->Br +Total Standard Deviation in ln(k): 9.504420141194425 +""", +) + +entry( + index = 5, + label = "CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F", + kinetics = ArrheniusBM(A=(3.33334e+12,'s^-1'), n=-1.40567e-07, w0=(539,'kJ/mol'), E0=(154.384,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F',), comment="""BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_4CClFINOPSSi->F +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 6, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F", + kinetics = ArrheniusBM(A=(1.74721e+17,'s^-1'), n=-1.47908, w0=(539,'kJ/mol'), E0=(113.052,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.51192054127672, var=16.166971379645908, Tref=1000.0, N=5, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F',), comment="""BM rule fitted to 5 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F + Total Standard Deviation in ln(k): 9.346905902058813"""), + rank = 11, + shortDesc = """BM rule fitted to 5 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F +Total Standard Deviation in ln(k): 9.346905902058813""", + longDesc = +""" +BM rule fitted to 5 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F +Total Standard Deviation in ln(k): 9.346905902058813 +""", +) + +entry( + index = 7, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing", + kinetics = ArrheniusBM(A=(2.22161e+17,'s^-1'), n=-1.50998, w0=(539,'kJ/mol'), E0=(113.127,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=-0.5018375041037424, var=16.310967916345923, Tref=1000.0, N=4, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing',), comment="""BM rule fitted to 4 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing + Total Standard Deviation in ln(k): 9.357389599918276"""), + rank = 11, + shortDesc = """BM rule fitted to 4 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing +Total Standard Deviation in ln(k): 9.357389599918276""", + longDesc = +""" +BM rule fitted to 4 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing +Total Standard Deviation in ln(k): 9.357389599918276 +""", +) + +entry( + index = 8, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(4.03468e+20,'s^-1'), n=-2.18552, w0=(539,'kJ/mol'), E0=(146.145,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.5822770821690705, var=6.058307656543806, Tref=1000.0, N=2, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C',), comment="""BM rule fitted to 2 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C + Total Standard Deviation in ln(k): 6.3973884227859665"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 6.3973884227859665""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C +Total Standard Deviation in ln(k): 6.3973884227859665 +""", +) + +entry( + index = 9, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R", + kinetics = ArrheniusBM(A=(8.067e+10,'s^-1'), n=0.649, w0=(539,'kJ/mol'), E0=(123.553,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R',), comment="""BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_Sp-5R!H-1C_Ext-5R!H-R_Ext-5R!H-R +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 10, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C", + kinetics = ArrheniusBM(A=(7.26313e-09,'s^-1'), n=5.53373, w0=(539,'kJ/mol'), E0=(4.64464,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.525240051516825, var=52.082221049180056, Tref=1000.0, N=2, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C',), comment="""BM rule fitted to 2 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C + Total Standard Deviation in ln(k): 15.787473340914588"""), + rank = 11, + shortDesc = """BM rule fitted to 2 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 15.787473340914588""", + longDesc = +""" +BM rule fitted to 2 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C +Total Standard Deviation in ln(k): 15.787473340914588 +""", +) + +entry( + index = 11, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl", + kinetics = ArrheniusBM(A=(1.61832e+16,'s^-1'), n=-0.885455, w0=(539,'kJ/mol'), E0=(106.175,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl',), comment="""BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_Sp-6R!H-4CCl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 12, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl", + kinetics = ArrheniusBM(A=(4.66894e+13,'s^-1'), n=-1.27142, w0=(539,'kJ/mol'), E0=(76.0866,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl',), comment="""BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_1C-inRing_Ext-4CCl-R_Ext-5R!H-R_N-Sp-5R!H-1C_Ext-5R!H-R_Ext-6R!H-R_N-Sp-6R!H-4CCl +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 13, + label = "CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing", + kinetics = ArrheniusBM(A=(3.33333e+12,'s^-1'), n=8.2394e-08, w0=(539,'kJ/mol'), E0=(130.615,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing',), comment="""BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CCH_Ext-3C-R_N-4R!H->Br_N-4CClFINOPSSi->F_N-1C-inRing +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + +entry( + index = 14, + label = "CCY", + kinetics = ArrheniusBM(A=(1.91033e+10,'s^-1'), n=0.827, w0=(613,'kJ/mol'), E0=(219.153,'kJ/mol'), Tmin=(300,'K'), Tmax=(2000,'K'), uncertainty=RateUncertainty(mu=0.0, var=33.13686319048999, Tref=1000.0, N=1, data_mean=0.0, correlation='CCY',), comment="""BM rule fitted to 1 training reactions at node CCY + Total Standard Deviation in ln(k): 11.540182761524994"""), + rank = 11, + shortDesc = """BM rule fitted to 1 training reactions at node CCY +Total Standard Deviation in ln(k): 11.540182761524994""", + longDesc = +""" +BM rule fitted to 1 training reactions at node CCY +Total Standard Deviation in ln(k): 11.540182761524994 +""", +) + diff --git a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/dictionary.txt b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/dictionary.txt index a0120f0311..3ed44fff6d 100644 --- a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/dictionary.txt +++ b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/dictionary.txt @@ -110,3 +110,75 @@ C6H6-8 11 *3 H u0 p0 c0 {4,S} 12 H u0 p0 c0 {5,S} +C2F4 +1 *3 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u0 p1 c0 {4,S} {5,S} + +C2F4-2 +1 *3 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {5,S} +3 F u0 p3 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {2,S} {3,S} {6,D} +6 *1 C u0 p0 c0 {1,S} {4,S} {5,D} + +CH3CCl +1 *3 H u0 p0 c0 {5,S} +2 H u0 p0 c0 {5,S} +3 H u0 p0 c0 {5,S} +4 Cl u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u0 p1 c0 {4,S} {5,S} + +CH2CHCl +1 *3 H u0 p0 c0 {6,S} +2 H u0 p0 c0 {5,S} +3 H u0 p0 c0 {5,S} +4 Cl u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {2,S} {3,S} {6,D} +6 *1 C u0 p0 c0 {1,S} {4,S} {5,D} + +CH3CF +1 *3 H u0 p0 c0 {5,S} +2 H u0 p0 c0 {5,S} +3 H u0 p0 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {1,S} {2,S} {3,S} {6,S} +6 *1 C u0 p1 c0 {4,S} {5,S} + +CH2CHF +1 *3 H u0 p0 c0 {6,S} +2 H u0 p0 c0 {5,S} +3 H u0 p0 c0 {5,S} +4 F u0 p3 c0 {6,S} +5 *2 C u0 p0 c0 {2,S} {3,S} {6,D} +6 *1 C u0 p0 c0 {1,S} {4,S} {5,D} + +CH3CH2CBr +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *2 C u0 p0 c0 {1,S} {3,S} {8,S} {9,S} +3 *1 C u0 p1 c0 {2,S} {4,S} +4 Br u0 p3 c0 {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 *3 H u0 p0 c0 {2,S} +9 H u0 p0 c0 {2,S} + +CH3CHCHBr +1 C u0 p0 c0 {2,S} {5,S} {6,S} {7,S} +2 *2 C u0 p0 c0 {1,S} {3,D} {8,S} +3 *1 C u0 p0 c0 {2,D} {4,S} {9,S} +4 Br u0 p3 c0 {3,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 H u0 p0 c0 {1,S} +8 H u0 p0 c0 {2,S} +9 *3 H u0 p0 c0 {3,S} + + + diff --git a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/reactions.py b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/reactions.py index 2b8dff0ff5..3bd2c8f8fa 100644 --- a/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/reactions.py +++ b/input/kinetics/families/Singlet_Carbene_Intra_Disproportionation/training/reactions.py @@ -6,6 +6,16 @@ longDesc = u""" Put kinetic parameters for specific reactions in this file to use as a training set for generating rate rules to populate this kinetics family. +Sources: +[1] Characterization of the 1,1-HCl Elimination Reaction of Vibrationally Excited CD3CHFCl Molecules and Assignment of Threshold Energies for 1,1-HCl and 1,2-DCl plus 1,1-HF and 1,2-DF Elimination Reactions + Timothy M. Brown, Matthew J. Nestler, Samuel M. Rossabi, George L. Heard, D. W. Setser, and Bert E. Holmes + The Journal of Physical Chemistry A 2015 119 (36), 9441-9451 + DOI: 10.1021/acs.jpca.5b06638 + +[2] Unimolecular HBr and HF Elimination Reactions of Vibrationally Excited C2H5CH2Br and C2D5CHFBr: Identification of the 1,1-HBr Elimination Reaction from C2D5CHFBr and Search for the C2D5(F)C:HBr Adduct + Timothy M. Brown, Blanton R. Gillespie, Mallory M. Rothrock, Anthony J. Ranieri, Melinda K. Schueneman, George L. Heard, Donald W. Setser, and Bert E. Holmes + The Journal of Physical Chemistry A 2019 123 (41), 8776-8786 + DOI: 10.1021/acs.jpca.9b07029 """ entry( index = 0, @@ -59,3 +69,59 @@ """, ) +entry( + index = 4, + label = "C2F4 <=> C2F4-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(5.731e+10,'s^-1'), n=0.827, Ea=(35644,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CF3CF <=> CF2:CF2""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: CF3CF <=> CF2:CF2 +""", +) + +entry( + index = 5, + label = "CH3CF <=> CH2CHF", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1e13,'s^-1'), n=0, Ea=(15,'kcal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Ea is threshold energy for CD3CF -> CD2=CDF from Figure 1 in [1] +A factor estimated +""", +) + +entry( + index = 6, + label = "CH3CCl <=> CH2CHCl", + degeneracy = 3.0, + kinetics = Arrhenius(A=(1e13,'s^-1'), n=0, Ea=(10,'kcal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Ea is threshold energy for CD3CCl -> CD2=CDCl from Figure 1 in [1] +A factor estimated +""", +) + +entry( + index = 7, + label = "CH3CH2CBr <=> CH3CHCHBr", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1e13,'s^-1'), n=0, Ea=(4.2,'kcal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """MP2/6-311+G(2d,p)""", + longDesc = +""" +Ea is threshold energy for CD3CD2CCl -> CD3CD=CDCl from Figure 6 in [2] +A factor estimated +""", +) + diff --git a/input/kinetics/families/intra_H_migration/training/dictionary.txt b/input/kinetics/families/intra_H_migration/training/dictionary.txt index ee1e07099b..9a56520e62 100644 --- a/input/kinetics/families/intra_H_migration/training/dictionary.txt +++ b/input/kinetics/families/intra_H_migration/training/dictionary.txt @@ -11325,3 +11325,112 @@ multiplicity 2 21 H u0 p0 c0 {7,S} 22 H u0 p0 c0 {7,S} +C3H3F4 +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {7,S} +5 *2 C u0 p0 c0 {7,S} {8,S} {9,S} {10,S} +6 C u0 p0 c0 {1,S} {2,S} {3,S} {7,S} +7 *1 C u1 p0 c0 {4,S} {5,S} {6,S} +8 *3 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {5,S} +10 H u0 p0 c0 {5,S} + +C3H3F4-2 +multiplicity 2 +1 F u0 p3 c0 {5,S} +2 F u0 p3 c0 {6,S} +3 F u0 p3 c0 {6,S} +4 F u0 p3 c0 {6,S} +5 *1 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +6 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +7 *2 C u1 p0 c0 {5,S} {9,S} {10,S} +8 *3 H u0 p0 c0 {5,S} +9 H u0 p0 c0 {7,S} +10 H u0 p0 c0 {7,S} + +C3H3F4O +multiplicity 2 +1 *4 C u0 p0 c0 {3,S} {4,S} {5,S} {6,S} +2 C u0 p0 c0 {3,S} {7,S} {8,S} {9,S} +3 *1 C u1 p0 c0 {1,S} {2,S} {10,S} +4 *2 O u0 p2 c0 {1,S} {11,S} +5 H u0 p0 c0 {1,S} +6 H u0 p0 c0 {1,S} +7 F u0 p3 c0 {2,S} +8 F u0 p3 c0 {2,S} +9 F u0 p3 c0 {2,S} +10 F u0 p3 c0 {3,S} +11 *3 H u0 p0 c0 {4,S} + +C3H3F4O-2 +multiplicity 2 +1 *1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 *4 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +3 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +4 F u0 p3 c0 {1,S} +5 *3 H u0 p0 c0 {1,S} +6 F u0 p3 c0 {3,S} +7 F u0 p3 c0 {3,S} +8 F u0 p3 c0 {3,S} +9 *2 O u1 p2 c0 {2,S} +10 H u0 p0 c0 {2,S} +11 H u0 p0 c0 {2,S} + +C3H3F4O-3 +multiplicity 2 +1 F u0 p3 c0 {7,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {8,S} +5 O u0 p2 c0 {6,S} {11,S} +6 *2 C u0 p0 c0 {5,S} {8,S} {9,S} {10,S} +7 C u0 p0 c0 {1,S} {2,S} {3,S} {8,S} +8 *1 C u1 p0 c0 {4,S} {6,S} {7,S} +9 *3 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {6,S} +11 H u0 p0 c0 {5,S} + +C3H3F4O-4 +multiplicity 2 +1 F u0 p3 c0 {6,S} +2 F u0 p3 c0 {7,S} +3 F u0 p3 c0 {7,S} +4 F u0 p3 c0 {7,S} +5 O u0 p2 c0 {8,S} {11,S} +6 *1 C u0 p0 c0 {1,S} {7,S} {8,S} {9,S} +7 C u0 p0 c0 {2,S} {3,S} {4,S} {6,S} +8 *2 C u1 p0 c0 {5,S} {6,S} {10,S} +9 *3 H u0 p0 c0 {6,S} +10 H u0 p0 c0 {8,S} +11 H u0 p0 c0 {5,S} + +C3H3F4O-5 +multiplicity 2 +1 *4 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 C u1 p0 c0 {1,S} {9,S} {10,S} +4 *2 O u0 p2 c0 {1,S} {11,S} +5 F u0 p3 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 F u0 p3 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 *3 H u0 p0 c0 {4,S} + +C3H3F4O-6 +multiplicity 2 +1 *4 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S} +2 C u0 p0 c0 {1,S} {6,S} {7,S} {8,S} +3 *1 C u0 p0 c0 {1,S} {9,S} {10,S} {11,S} +4 F u0 p3 c0 {1,S} +5 *2 O u1 p2 c0 {1,S} +6 F u0 p3 c0 {2,S} +7 F u0 p3 c0 {2,S} +8 F u0 p3 c0 {2,S} +9 H u0 p0 c0 {3,S} +10 H u0 p0 c0 {3,S} +11 *3 H u0 p0 c0 {3,S} diff --git a/input/kinetics/families/intra_H_migration/training/reactions.py b/input/kinetics/families/intra_H_migration/training/reactions.py index 9be3a7b421..71f450c23f 100644 --- a/input/kinetics/families/intra_H_migration/training/reactions.py +++ b/input/kinetics/families/intra_H_migration/training/reactions.py @@ -9123,3 +9123,58 @@ """, ) +entry( + index = 440, + label = "C3H3F4 <=> C3H3F4-2", + degeneracy = 3.0, + kinetics = Arrhenius(A=(6.465e+11,'s^-1'), n=0, Ea=(44130,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH3CFCF3 <=> CH2CHFCF3""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: CH3CFCF3 <=> CH2CHFCF3 +""", +) + +entry( + index = 441, + label = "C3H3F4O <=> C3H3F4O-2", + degeneracy = 1.0, + kinetics = Arrhenius(A=(5.248e+06,'s^-1'), n=0.992, Ea=(2041,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2OHCFCF3 <=> CH2OCHFCF3""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: CH2OHCFCF3 <=> CH2OCHFCF3 +""", +) + +entry( + index = 442, + label = "C3H3F4O-3 <=> C3H3F4O-4", + degeneracy = 2.0, + kinetics = Arrhenius(A=(1.245e+06,'s^-1'), n=1.223, Ea=(2894,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2OHCFCF3 <=> CHOHCHFCF3""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: CH2OHCFCF3 <=> CHOHCHFCF3 +""", +) + +entry( + index = 443, + label = "C3H3F4O-5 <=> C3H3F4O-6", + degeneracy = 1.0, + kinetics = Arrhenius(A=(7.249e+09,'s^-1'), n=0.385, Ea=(5306,'cal/mol'), T0=(1,'K')), + rank = 10, + shortDesc = """The chemkin file reaction is CH2COHFCF3 <=> CH3COFCF3""", + longDesc = +""" +Training reaction from kinetics library: YF +Original entry: CH2COHFCF3 <=> CH3COFCF3 +""", +)